SARS-CoV-2 related structures

Structures

Our database currently contains information about 3783 SARS-CoV-2 protein structures and 237 additional structures of other coronaviruses. Use the filters below to select rows with attributes of interest. Next to each filter value, the number of shown/total structures from the group is displayed. Multiple values can be selected across multiple panes. To select more than one value within a single search pane, press and hold Ctrl or Shift when selecting filters. Text search can be performed using the search box on the left below the filters.

PDB	Resol.	Released	Method	Ligand IDs	Virus	Protein	Ligand category	R-work	R-free	R-merge	Synthetics	Ligand full name	Processing Software	Completeness	I/σ	Synchrotron/Beamline	Refinement Software	Deposition Date	PubMed ID	Metals	Molstack	Re-refined PDB	Re-refined MTZ	R-free after re-refinement	Re-refinement summary	Validation summary	Polymers	P_Q1(PDB)	Issues		Re-refined?	Raw data	Ref.	P_R-free	P_RSRZ	P_Geometry	RNA	Re-refinement comparison
1p9s	2.54 Å	2003-05-20	X-ray	DIO	H-CoV	NSP5 (3CLpro)	Functional ligand	19.64%	27.89%	14.20%		1,4-DIETHYLENE DIOXIDE		-	9.1	ELETTRA (5.2R)	REFMAC	2003-05-12	12746549	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab - residue 2966-3265, 3C-like proteinase	-	-		No	-		14.7	-	12.7		-
1uk4	2.50 Å	2003-11-18	X-ray	ATO	SARS-CoV	NSP5 (3CLpro)	Functional ligand	21.30%	23.10%	N/A	5-mer peptide of inhibitor	CHLOROACETONE	DENZO	97.40%	-	BSRF (3W1A)	CNS	2003-08-14	14585926	-	-	-	-	N/A	-	-	3C-like proteinase; 5-mer peptide of inhibitor	12.6	-		No	-		53.9	29.9	12.4		-
1xjr	2.70 Å	2005-02-01	X-ray	-	SARS-CoV	S2M/RNA	No functional ligands	23.14%	24.33%	5.60%	s2m RNA	-	MOSFLM	99.40%	31.3	SSRL (BL9-1)	REFMAC	2004-09-24	15630477	MG	-	http://covid19.bioreproducibility.org/static/data/1xjr/1xjr-refined.pdb	http://covid19.bioreproducibility.org/static/data/1xjr/1xjr-refined.mtz	N/A	-	-	s2m RNA	63.0	-		Yes	-		41.8	95.7	97.6	s2m RNA	-
1wof	2.00 Å	2005-08-30	X-ray	I12	SARS-CoV	NSP5 (3CLpro)	Functional ligand	20.10%	23.90%	N/A	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	HKL-2000	-	-	ROTATING ANODE ()	CNS	2004-08-18	16128623	-	-	-	-	N/A	-	-	3C-like proteinase	19.5	-		No	-		45.7	44.2	23.4		-
2ajf	2.90 Å	2005-09-20	X-ray	NAG	SARS-CoV	Spike	Pathogen-host interaction	21.80%	27.50%	N/A	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	93.10%	20.5	ALS (8.2.1)	REFMAC	2005-08-01	16166518	ZN	-	http://covid19.bioreproducibility.org/static/data/2ajf/2ajf_refined.pdb	http://covid19.bioreproducibility.org/static/data/2ajf/2ajf_refined.mtz	27.60%	Placed the coordinates in a standardized location in the unit cell.	The coordinates are NOT in a standardized location in the unit cell.	Angiotensin-converting enzyme-Related Carboxypeptidase (Ace2) - residues 19-615; SARS-coronavirus spike protein - receptor-binding domain, residues 323-502	4.8	minimal	Yes	Yes	-		16.6	36.9	15.7		-
2d2d	2.70 Å	2005-09-20	X-ray	ENB	SARS-CoV	NSP5 (3CLpro)	Functional ligand	20.90%	28.20%	N/A	ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE	ETHYL (2E,4S)-4-[((2R)-2-{[N-(TERT-BUTOXYCARBONYL)-L-VALYL]AMINO}-2-PHENYLETHANOYL)AMINO]-5-[(3S)-2-OXOPYRROLIDIN-3-YL]PENT-2-ENOATE	DENZO	-	-	ROTATING ANODE ()	CNS	2005-09-08	16128623	-	-	-	-	N/A	-	-	3C-like proteinase	15.4	-		No	-		13.1	81.0	9.5		-
2alv	1.90 Å	2006-08-08	X-ray	CY6	SARS-CoV	NSP5 (3CLpro)	Functional ligand	25.50%	31.50%	3.80%	N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE	N-((3S,6R)-6-((S,E)-4-ETHOXYCARBONYL-1-((S)-2-OXOPYRROLIDIN-3-YL)BUT-3-EN-2-YLCARBAMOYL)-2,9-DIMETHYL-4-OXODEC-8-EN-3-YL)-5-METHYLISOXAZOLE-3-CARBOXAMIDE	DENZO; HKL-2000	98.60%	32.4	APS (14-BM-C)	CNS	2005-08-08	16250632	-	-	http://covid19.bioreproducibility.org/static/data/2alv/2alv_refined.pdb	http://covid19.bioreproducibility.org/static/data/2alv/2alv_refined.mtz	29.50%	Placed the coordinates in a standardized location in the unit cell. Aded link between the inhibitor and Cys145, corrected. Corrected residues Leu50, Asn51, Val125, Ile286, 301-303. C38 atom of the inhibitor, moved 5-13 oxazol moiety of the inhibitor.	Several residues and the inhibitor can be corrected. The inhibitor is not linked to the protein. The coordinates are NOT in a standardized location in the unit cell.	Replicase polyprotein 1ab - 3CL proteinase, residues 3242-3543	1.3	moderate	Yes	Yes	-		5.4	27.6	15.1		-
2gx4	1.93 Å	2007-05-08	X-ray	NOL	SARS-CoV	NSP5 (3CLpro)	Functional ligand	20.53%	24.88%	N/A	N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE	N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE	DENZO; CrystalClear	-	-	ROTATING ANODE ()	CNS	2006-05-08	16884309	-	-	-	-	N/A	-	-	3C-like proteinase - residues 1-306	36.8	-		No	-		36.5	68.9	44.4		-
2qiq	1.90 Å	2008-02-12	X-ray	CYV	SARS-CoV	NSP5 (3CLpro)	Functional ligand	23.30%	27.50%	N/A	ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE	ETHYL (4R)-4-{[(2R,5S)-5-{[N-(TERT-BUTOXYCARBONYL)-L-SERYL]AMINO}-6-METHYL-2-(3-METHYLBUT-2-EN-1-YL)-4-OXOHEPTANOYL]AMINO}-5-[(3R)-2-OXOPYRROLIDIN-3-YL]PENTANOATE	HKL-2000	-	-	APS (22-BM)	REFMAC	2007-07-05	17855091	-	-	http://covid19.bioreproducibility.org/static/data/2qiq/2qiq_refined.pdb	http://covid19.bioreproducibility.org/static/data/2qiq/2qiq_refined.mtz	25.30%	Placed the coordinates in a standardized location in the unit cell. The inhibitor was re-refined after truncation to terminal carboxyl groups, assuming that the ester groups had been eliminated by hydrolysis before crystal formation, a supposition that is supported by the well-defined and abrupt limits of the electron density at the ends of both carboxyl groups.	While a large central part of the inhibitor is well defined in the electron density, the ethyl and t-butyl ester groups of the inhibitor molecule lack any electron density. The coordinates are NOT in a standardized location in the unit cell.	Replicase polyprotein 1ab - 3CL proteinase	4.6	significant	Yes	Yes	-		16.6	17.0	34.5		-
3d0g	2.80 Å	2008-07-08	X-ray	NDG, NAG	SARS-CoV	Spike	Pathogen-host interaction	21.40%	27.90%	N/A		2-acetamido-2-deoxy-alpha-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	DENZO	-	-	APS (19-BM)	REFMAC; CNS	2008-05-01	18448527	ZN	https://molstack.bioreproducibility.org/project/view/hnlY2nbqOGN6OoG7s3qz/	http://covid19.bioreproducibility.org/static/data/3d0g/3d0g_refined.pdb	http://covid19.bioreproducibility.org/static/data/3d0g/3d0g_refined.mtz	25.50%	Placed the coordinates in a standardized location in the unit cell. Corrected carbohydrate names, added several new carbohydrates. Fixed several rotamer outliers.	Not connected NAG molecules, not satisfactory Zn ion coordination. Unlikely assignment of the carbohydrate moieties bound to asparagine side chains (NDG rather than the expected NAG). Several carbohydrate moieties can be added to those already present, as well as to a few additional asparagine side chains. Coordinates are outside of the unit cell (not according to standardised placement)	Angiotensin-converting enzyme 2; Spike glycoprotein - residues 324-502	3.0	moderate	Yes	Yes	-		14.5	27.3	18.5		-
3d0h	3.10 Å	2008-07-08	X-ray	NDG, NAG	SARS-CoV	Spike	Pathogen-host interaction	22.10%	30.20%	N/A		2-acetamido-2-deoxy-alpha-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	APS (19-BM)	REFMAC	2008-05-01	18448527	ZN	https://molstack.bioreproducibility.org/project/view/WrI2XslE978LiF95PQYo/	http://covid19.bioreproducibility.org/static/data/3d0h/3d0h_refined.pdb	http://covid19.bioreproducibility.org/static/data/3d0h/3d0h_refined.mtz	26.60%	Placed the coordinates in a standardized location in the unit cell. Corrected carbohydrate names, added several new carbohydrates. Fixed several rotamer outliers.	Not connected NAG molecules, not satisfactory Zn ion coordination. Unlikely assignment of the carbohydrate moieties bound to asparagine side chains (NDG rather than the expected NAG). Several carbohydrate moieties can be added to those already present, as well as to a few additional asparagine side chains. Coordinates are outside of the unit cell (not according to standardised placement)	Angiotensin-converting enzyme 2; Spike glycoprotein - residues 324-502	11.7	moderate	Yes	Yes	-		6.9	74.0	12.9		-
3d0i	2.90 Å	2008-07-08	X-ray	NDG, NAG	SARS-CoV	Spike	Pathogen-host interaction	22.40%	27.80%	N/A		2-acetamido-2-deoxy-alpha-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	APS (19-BM)	REFMAC	2008-05-01	18448527	ZN	https://molstack.bioreproducibility.org/project/view/tyBAIB4W8gsYJT2boa8Q/	http://covid19.bioreproducibility.org/static/data/3d0i/3d0i_refined.pdb	http://covid19.bioreproducibility.org/static/data/3d0i/3d0i_refined.mtz	26.20%	Placed the coordinates in a standardized location in the unit cell. Corrected carbohydrate names, added several new carbohydrates. Fixed several rotamer outliers.	Not connected NAG molecules, not satisfactory Zn ion coordination. Unlikely assignment of the carbohydrate moieties bound to asparagine side chains (NDG rather than the expected NAG). Several carbohydrate moieties can be added to those already present, as well as to a few additional asparagine side chains. Coordinates are outside of the unit cell (not according to standardised placement)	Angiotensin-converting enzyme 2; Spike glycoprotein - residues 324-502	4.4	moderate	Yes	Yes	-		15.0	39.2	13.1		-
3bgf	3.00 Å	2008-12-02	X-ray	-	SARS-CoV	Spike	Pathogen-host interaction	23.40%	28.60%	13.20%		-	HKL-2000; DENZO	94.40%	6.3	NSLS (X12C)	REFMAC	2007-11-26	19324051	-	-	-	-	N/A	-	-	Spike protein S1; F26G19 Fab; F26G19 Fab	17.3	-		No	-		11.4	74.7	22.1		-
3aw0	2.30 Å	2011-12-14	X-ray	-	SARS-CoV	NSP5 (3CLpro)	Functional ligand	22.48%	28.64%	8.20%	peptide ACE-SER-ALA-VAL-LEU-HIS-H	-	HKL-2000	99.90%	21.786	Photon Factory (BL-6A)	REFMAC	2011-03-09	22014094	-	-	-	-	N/A	-	-	3C-Like Proteinase; peptide ACE-SER-ALA-VAL-LEU-HIS-H	5.4	-		No	-		11.3	40.5	19.9		-
3sci	2.90 Å	2012-02-08	X-ray	-	SARS-CoV	Spike	Pathogen-host interaction	22.59%	28.26%	N/A		-	HKL-2000	93.40%	-	APS (19-ID)	CNS; REFMAC	2011-06-07	22291007	ZN	-	http://covid19.bioreproducibility.org/static/data/3sci/3sci_refined_2_tls.pdb	http://covid19.bioreproducibility.org/static/data/3sci/3sci_refined_2.mtz	27.70%	Placed the coordinates in a standardized location in the unit cell. Added a water molecule to each Zn cation and added LINKs between Zn and each of the coordinating ligands. Removed Cl ions. Fixed someRamachandran outliers. Many more Ramachandran outliers are left; the refinement is stopped due to availability of better structures for the same proteins. Sugar moieties were not added.	Zinc cations are placed without proper coordination. There are also two Cl ions in the structure, chemically feasible, but with poor/lacking electron density. Multiple Ramachandran outliers. Some residues have electron density for the sugar moieties due to glycosylation. The coordinates are NOT in a standardized location in the unit cell.	Angiotensin-converting enzyme 2 - UNP residues 19-615; Spike glycoprotein - receptor binding domain (UNP residues 306-527)	2.4	minimal	Yes	Yes	-		12.9	29.2	14.0		-
3sck	3.00 Å	2012-02-08	X-ray	-	SARS-CoV	Spike	Pathogen-host interaction	23.92%	28.53%	N/A		-	HKL-2000	91.70%	-	APS (19-ID)	CNS; REFMAC	2011-06-07	22291007	ZN	-	http://covid19.bioreproducibility.org/static/data/3sck/3sck_refined_tls_2.pdb	http://covid19.bioreproducibility.org/static/data/3sck/3sck_refined_tls_2.mtz	29.50%	Placed the coordinates in a standardized location in the unit cell. Added a water molecule to each Zn cation and added LINKs between Zn and each of the coordinating ligands. Removed Cl ions. Fixed someRamachandran outliers. Many more Ramachandran outliers are left; the refinement is stopped due to availability of better structures for the same proteins. Sugar moieties were not added.	Zinc cations are placed without proper coordination. There are also two Cl ions in the structure, chemically feasible, but with poor/lacking electron density. Multiple Ramachandran outliers. Some residues have electron density for the sugar moieties due to glycosylation. The coordinates are NOT in a standardized location in the unit cell.	Angiotensin-converting enzyme 2 chimera - SEE REMARK 999; Spike glycoprotein - receptor binding domain (UNP residues 324-502)	11.7	minimal	Yes	Yes	-		11.8	72.9	8.9		-
3scl	3.00 Å	2012-02-08	X-ray	-	SARS-CoV	Spike	Pathogen-host interaction	23.88%	29.18%	N/A		-	HKL-2000	97.70%	-	APS (24-ID-E)	REFMAC; CNS	2011-06-07	22291007	ZN	-	http://covid19.bioreproducibility.org/static/data/3scl/3scl_refined_2_tls.pdb	http://covid19.bioreproducibility.org/static/data/3scl/3scl_refined_2_coot.mtz	29.00%	Placed the coordinates in a standardized location in the unit cell. Added a water molecule to each Zn cation and added LINKs between Zn and each of the coordinating ligands. Replaced Cl with water molecules. Fixed multiple Ramachandran outliers. Many more Ramachandran outliers are left; the refinement is stopped due to availability of better structures for the same proteins. Sugar moieties were not added.	Zinc cations are placed without proper coordination. There are also two Cl ions in the structure, chemically feasible, but with poor/lacking electron density. Multiple Ramachandran outliers. Some residues have electron density for the sugar moieties due to glycosylation. The coordinates are NOT in a standardized location in the unit cell.	Angiotensin-converting enzyme 2 chimera - SEE REMARK 999; Spike glycoprotein - receptor binding domain (UNP residues 324-502)	11.5	minimal	Yes	Yes	-		9.4	70.1	13.5		-
4rsp	1.62 Å	2015-06-17	X-ray	-	MERS-CoV	NSP5 (3CLpro)	Functional ligand	16.18%	20.27%	N/A	Peptide inhibitor	-	MOSFLM	95.00%	-	APS (31-ID)	PHENIX	2014-11-10	26055715	-	-	http://covid19.bioreproducibility.org/static/data/4rsp/4rsp_refined.pdb	http://covid19.bioreproducibility.org/static/data/4rsp/4rsp_refined.mtz	21.20%	Placed the coordinates in a standardized location in the unit cell. Reset occupancies to n/m integral values.	Many residues with unbelievable occupancies (0.74/0.26, 0.61/0.39 etc.). The coordinates are NOT in a standardized location in the unit cell.	Orf1a protein; Peptide inhibitor	79.8	minimal	Yes	Yes	-		79.9	73.8	88.4		-
5zuv	2.21 Å	2019-04-10	X-ray	-	H-CoV-229E	Spike	Functional ligand	20.19%	24.81%	N/A		-	HKL-3000	99.40%	18.9	SSRF (BL19U1)	REFMAC	2018-05-08	30989115	-	-	http://covid19.bioreproducibility.org/static/data/5zuv/5zuv_refined.pdb	http://covid19.bioreproducibility.org/static/data/5zuv/5zuv_refined.mtz	23.00%	Repositioned the coordinates with ACHESYM and improved the model by adding residue Leu8 in chain c (inhibitor peptide), correcting conformations of 13 residues (Lys23b, Gln788B/A, Glu789A, Asn790B, Gln791A/B, Leu794A, Val806C, Gln839C, Thr848B, Gln856A/B), and adding 43 water molecules.	Structure of good quality, without any additional ligands and without missing side chains. Most of the protein residues outside of the reference unit cell. The fusion molecule (HR1 motif and the peptidic inhibitor) is represented in the deposit as a single protein chain with consecutive residue numbering, not as separte chains (as in 5zvk and 5zvm).	Spike glycoprotein,Spike glycoprotein,inhibitor EK1 - UNP residues 785-873	47.3	moderate	Yes	Yes	-		37.0	45.2	87.6		-
5zvk	3.31 Å	2019-04-10	X-ray	-	MERS-CoV	Spike	Functional ligand	25.90%	31.36%	N/A		-	HKL-3000	99.90%	20.7	SSRF (BL19U1)	PHENIX	2018-05-11	30989115	-	-	-	-	N/A	-	Structure of good quality, without any additional ligands and with no missing side chains. Most of the protein residues outside of the reference unit cell.	Human Coronavirus MERS HR1 motif - UNP residues 984-1062; pan-CoV inhibitory peptide EK1	7.4	minimal		No	-		5.6	26.1	47.8		-
5zvm	3.30 Å	2019-04-10	X-ray	-	SARS-CoV	Spike	Functional ligand	24.76%	30.14%	N/A		-	HKL-3000	99.90%	11.9	SSRF (BL19U1)	REFMAC	2018-05-11	30989115	-	-	-	-	N/A	not done	The coordinates are NOT in a standardized location in the unit cell.	Spike glycoprotein - UNP residues 892-970; pan-CoV inhibitory peptide EK1	13.4	minimal		No	-		7.0	16.9	74.5		-
6u7e	3.00 Å	2019-11-13	X-ray	NAG	H-CoV-229E	Spike	Pathogen-host interaction	20.35%	24.39%	7.10%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.80%	11.06	CLSI (08ID-1)	PHENIX	2019-09-02	31650956	ZN	-	-	-	N/A	-	-	Aminopeptidase N - ectodomain (UNP residues 66-967); Spike glycoprotein	65.3	-		No			41.3	86.6	77.5		-
6u7f	2.75 Å	2019-11-13	X-ray	NAG	H-CoV-229E	Spike	Pathogen-host interaction	19.04%	22.51%	6.80%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.80%	16.24	CLSI (08ID-1)	PHENIX	2019-09-02	31650956	ZN	-	-	-	N/A	-	-	Aminopeptidase N - ectodomain (UNP residues 66-967); Spike glycoprotein	76.1	-		No			60.0	86.4	84.4		-
6u7g	2.35 Å	2019-11-13	X-ray	NAG	H-CoV-229E	Spike	Pathogen-host interaction	17.86%	21.84%	5.20%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.70%	14.9	APS (23-ID-B)	PHENIX	2019-09-02	31650956	ZN	-	http://covid19.bioreproducibility.org/static/data/6u7g/6u7g_refined.pdb	http://covid19.bioreproducibility.org/static/data/6u7g/6u7g_refined.mtz	22.40%	Fixed minor issues with geometry and solvent	-	Aminopeptidase N - ectodomain (UNP residues 66-967); Spike protein - receptor-binding domain (UNP residues 292-432)	55.4	minimal		Yes			66.6	35.5	83.3		-
6u7h	3.10 Å	2019-11-13	Cryo-EM	NAG	H-CoV-229E	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2019-09-02	31650956	-	-	-	-	N/A	-	-	spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6jx7	3.31 Å	2020-01-15	Cryo-EM	MAN, NAG	FIPV	Spike	No functional ligands	N/A	N/A	N/A		alpha-D-mannopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2019-04-22	31900356	-	-	-	-	N/A	-	-	Feline Infectious Peritonitis Virus Spike Protein	N/A	-		No	-		N/A	N/A	N/A		-
6noz	1.95 Å	2020-01-22	X-ray	-	PEDV	NSP3: PLpro	No functional ligands	14.47%	19.31%	16.40%		-	HKL-2000	100.00%	6.4	APS (31-ID)	PHENIX	2019-01-16	-	ZN	-	-	-	N/A	-	-	Polyprotein - UNP Residues 1688-1933	85.4	-		No	-	-	86.1	92.3	89.9		-
6lu7	2.16 Å	2020-02-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.20%	23.50%	18.90%	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	-	xia2	100.00%	6.3	SSRF (BL17U1)	PHENIX	2020-01-26	32272481	-	https://molstack.bioreproducibility.org/project/view/x9jJQnlGN25TRBSRdxJm/	http://covid19.bioreproducibility.org/static/data/6lu7/6lu7_refined.pdb	http://covid19.bioreproducibility.org/static/data/6lu7/6lu7_refined.mtz	22.50%	The phenyl group was removed from the inhibitor. After re-refinement of the model negative density disappeared. A few minor model corrections.	The terminal phenyl group of the inhibitor with negative difference electron density, possible hydrolysis.	main protease - 3C-like proteinase; N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	35.0	moderate	Yes	Yes	-		49.8	29.9	66.4		-
6lvn	2.47 Å	2020-02-26	X-ray	-	SARS-CoV-2	Spike	No functional ligands	21.48%	25.80%	13.24%		-	XDS	99.22%	19.06	ROTATING ANODE ()	PHENIX	2020-02-04	-	-	-	http://covid19.bioreproducibility.org/static/data/6lvn/6lvn_refined_tls.pdb	http://covid19.bioreproducibility.org/static/data/6lvn/6lvn_refined.mtz	26.90%	Brought all four chains in one bundle. Modified residues: 18, 30, 2, 29. Added 34water molecules.	Structure of good quality. No ligands bound. No Ramachandran outliers, no rotamer outliers, and no missing side chains. Four helices are not placed in the ASU as a single oligomer, but as two independent dimers	Spike protein S2 - HR2 domain	49.1	minimal	Yes	Yes	-	-	28.1	76.3	69.0		-
6lxt	2.90 Å	2020-02-26	X-ray	PG4	SARS-CoV-2	Spike	No functional ligands	25.93%	28.96%	16.00%		TETRAETHYLENE GLYCOL	MOSFLM	94.02%	6.3	ROTATING ANODE ()	REFMAC	2020-02-11	32231345	ZN	-	-	-	N/A	not done	Structure of good quality. It has one Ramachandran outlier, probably justified. No missing side-chains. Several side-chain outliers, but most are not trivial to fix - a common problem at low resolution (% outliers is low). Most of the protein is outside of the unit cell. A metal cation (Zn2+) is missing between Asp1199 of chain B and Asp1199 of chain F. At the interface between Asp1163 and Asp1165 of chain B and a symmetry mate of Glu1188 and Asp1184 of chain A (crystallographic interface between two six-helix bundles), a molecule of PEG is modeled instead of, most probably, one or two Zn2+ ions. This PEG molecule is hilariously mismodelled: it has severe clashes with the protein residues, all contacts are polar-to-nonpolar, and it is too curled-up	Spike protein S2, Spike protein S2 - HR1 domain,HR2 domain	10.6	moderate		No	-		10.1	49.9	30.3		-
6vsb	3.46 Å	2020-02-26	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-02-10	32075877	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6vv5	3.50 Å	2020-02-26	Cryo-EM	NAG, PAM	PEDV	Spike	No functional ligands	N/A	N/A	N/A	PALMITOLEIC ACID	2-acetamido-2-deoxy-beta-D-glucopyranose; PALMITOLEIC ACID		-	-	()	PHENIX	2020-02-17	33378641	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6vsj	3.94 Å	2020-03-04	Cryo-EM	NAG	Murine-CoV-A59	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-02-11	32150576	-	-	-	-	N/A	-	-	Spike glycoprotein; Carcinoembryonic antigen-related cell adhesion molecule 1	N/A	-		No	-		N/A	N/A	N/A		-
6vw1	2.68 Å	2020-03-04	X-ray	NAG	SARS-CoV/SARS-CoV-2	Spike	Pathogen-host interaction	19.70%	22.88%	8.10%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	96.70%	12.08	APS (24-ID-E)	PHENIX; REFMAC	2020-02-18	32225175	ZN	-	http://covid19.bioreproducibility.org/static/data/6vw1/6vw1_refined.pdb	http://covid19.bioreproducibility.org/static/data/6vw1/6vw1_refined.mtz	24.00%	Placed the coordinates in a standardized location in the unit cell. MC - refined the structure	Zn2+ cations have abnormally high B factors (135 and 196 Å2) and do not make any contacts with their environment that would indicate proper coordination. Otherwise the structure seems to be in good agreement with the electron density. The coordinates are NOT in a standardized location in the unit cell.	Angiotensin-converting enzyme 2; SARS-CoV-2 chimeric RBD	52.0	minimal	Yes	Yes	-		56.3	76.4	46.3		http://covid19.bioreproducibility.org/static/data/6vw1/6vw1_refinement_report.pdf
6vww	2.20 Å	2020-03-04	X-ray	ACY	SARS-CoV-2	NSP15	No functional ligands	15.77%	17.77%	17.40%		ACETIC ACID	HKL-3000	98.50%	10.0	APS (19-ID)	PHENIX	2020-02-20	32304108	MG	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	85.8	-		No			93.0	95.3	82.9		-
6vxs	2.03 Å	2020-03-04	X-ray	NHE	SARS-CoV-2	NSP3: Macro	No functional ligands	18.64%	23.35%	N/A	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	HKL-3000	90.80%	8.44	APS (19-ID)	PHENIX	2020-02-24	32939273	-	-	-	-	N/A	-	-	Non-structural protein 3	74.3	-		No			51.6	89.6	85.0		-
6y2e	1.75 Å	2020-03-04	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.12%	22.24%	8.20%		-	XDS	100.00%	15.0	BESSY (14.2)	REFMAC	2020-02-15	32198291	-	-	http://covid19.bioreproducibility.org/static/data/6y2e/6y2e_refined.pdb	http://covid19.bioreproducibility.org/static/data/6y2e/6y2e_refined.mtz	22.06%	Fixed minor issues with side chain rotamers.	Protein chains are modeled well.	Replicase polyprotein 1ab	62.6	minimal	Yes	Yes	-		62.8	64.4	72.7		-
6y2f	1.95 Å	2020-03-04	X-ray	O6K	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.79%	21.91%	7.60%	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	XDS	100.00%	15.5	BESSY (14.2)	REFMAC	2020-02-15	32198291	-	-	http://covid19.bioreproducibility.org/static/data/6y2f/6y2f_refined.pdb	http://covid19.bioreproducibility.org/static/data/6y2f/6y2f_refined.mtz	20.60%	Re-refinement with a sodium cation modeled at the highest peak site. A few side chain rotamer corrections. Application of TLS parameters.	Structure of good quality. High positive peak coordinated by five carbonyl oxygen atoms and one water molecule; octahedral coordination.	Replicase polyprotein 1ab	42.4	moderate	Yes	Yes	-		65.8	37.2	57.5		-
6y2g	2.20 Å	2020-03-04	X-ray	O6K	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.62%	24.73%	17.00%	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	XDS	100.00%	13.1	BESSY (14.2)	REFMAC	2020-02-15	32198291	-	-	http://covid19.bioreproducibility.org/static/data/6y2g/6y2g_refined.pdb	http://covid19.bioreproducibility.org/static/data/6y2g/6y2g_refined.mtz	24.00%	Fixed minor issues with side chain rotamers and a couple of orphaned solvent molecules.	Protein chains are modeled well.	Replicase polyprotein 1ab	46.9	minimal	No	Yes	-		37.8	78.5	52.9		-
5r7y	1.65 Å	2020-03-11	X-ray	JFM	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.94%	23.67%	11.30%	N-(2-phenylethyl)methanesulfonamide	N-(2-phenylethyl)methanesulfonamide	XDS	99.40%	5.8	Diamond (I04-1)	REFMAC	2020-03-03	33028810	-	-	-	-	N/A	not done	Weak density for the ligand on the primary 2Fo-Fc map.	3C-like proteinase	-	moderate		No			48.3	-	51.2		-
5r7z	1.59 Å	2020-03-11	X-ray	HWH	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.95%	23.30%	9.60%	~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide	~{N}-[2-(5-fluoranyl-1~{H}-indol-3-yl)ethyl]ethanamide	XDS	99.30%	6.2	Diamond (I04-1)	REFMAC	2020-03-03	33028810	-	https://molstack.bioreproducibility.org/collection/view/GqjIgzdHOk3yuQaO0ukE/	-	-	24.30%	not done	Weak density for the ligand on the primary 2Fo-Fc map.	3C-like proteinase	40.9	moderate		No			51.9	42.5	63.3		-
5r80	1.93 Å	2020-03-11	X-ray	RZG	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.30%	23.46%	11.30%	methyl 4-sulfamoylbenzoate	methyl 4-sulfamoylbenzoate	XDS	98.60%	6.0	Diamond (I04-1)	REFMAC	2020-03-03	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	24.5	-		No			50.4	33.0	41.0		-
5r81	1.95 Å	2020-03-11	X-ray	RZJ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.20%	24.94%	16.20%	1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide	1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide	XDS	99.90%	4.0	Diamond (I04-1)	REFMAC	2020-03-03	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	37.2	-		No			35.7	64.3	50.5		-
5r82	1.31 Å	2020-03-11	X-ray	RZS	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.03%	21.16%	5.00%	6-(ethylamino)pyridine-3-carbonitrile	6-(ethylamino)pyridine-3-carbonitrile	XDS	88.70%	9.7	Diamond (I04-1)	REFMAC	2020-03-03	33028810	-	-	-	-	21.20%	not done	Weak density for the ligand on the primary 2Fo-Fc map.	3C-like proteinase	-	moderate		No			72.7	-	50.0		-
5r83	1.58 Å	2020-03-11	X-ray	K0G	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.58%	21.49%	10.00%	N-phenyl-N'-pyridin-3-ylurea	N-phenyl-N'-pyridin-3-ylurea	XDS	99.60%	6.7	Diamond (I04-1)	REFMAC	2020-03-03	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	58.6	-		No			70.0	59.9	61.8		-
5r84	1.83 Å	2020-03-11	X-ray	GWS	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.67%	29.26%	14.00%	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide	XDS	99.70%	5.6	Diamond (I04-1)	REFMAC	2020-03-03	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	12.7	-		No			9.2	45.4	41.8		-
6m03	2.00 Å	2020-03-11	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	19.62%	24.58%	3.90%		-	XDS	99.50%	16.29	NFPSS (BL18U)	PHENIX	2020-02-19	35380892	-	-	http://covid19.bioreproducibility.org/static/data/6m03/6m03_refined.pdb	http://covid19.bioreproducibility.org/static/data/6m03/6m03_refined.mtz	24.21%	Placed the coordinates in a standardized location in the unit cell. Added TLS (9 groups), added waters, fixed ramachandran outliers, Flipped side chains GLN 74, HIS 164, ASN 203. Changed rotamers MET 17, MET 165, ARG 298, GLN 189. Added alternative conformation for PHE 294.	Flipped sidechains, missing rotamers. The coordinates are NOT in a standardized location in the unit cell. No ligands, no metals.	main protease	51.7	moderate	Yes	Yes	-		39.5	68.9	70.0		-
6m17	2.90 Å	2020-03-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; LEUCINE	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-02-24	32132184	ZN	-	-	-	N/A	-	Poor map	Sodium-dependent neutral amino acid transporter B(0)AT1; Angiotensin-converting enzyme 2; SARS-coV-2 Receptor Binding Domain	N/A	moderate		No	-		N/A	N/A	N/A		-
6vxx	2.80 Å	2020-03-11	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-02-25	32155444	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein - ectodomain	N/A	-		No	-		N/A	N/A	N/A		-
6vyb	3.20 Å	2020-03-11	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-02-25	32155444	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain	N/A	-		No	-		N/A	N/A	N/A		-
6vyo	1.70 Å	2020-03-11	X-ray	MES	SARS-CoV-2	Nucleocapsid	No functional ligands	15.92%	20.53%	13.10%	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-3000	99.70%	6.9	APS (19-ID)	PHENIX	2020-02-27	-	ZN	-	http://covid19.bioreproducibility.org/static/data/6vyo/6vyo_refined.pdb	http://covid19.bioreproducibility.org/static/data/6vyo/6vyo_refined.mtz	21.20%	-	-	Nucleoprotein - RNA binding domain	76.5	-		Yes		-	77.9	68.4	85.6		-
6w01	1.90 Å	2020-03-11	X-ray	-	SARS-CoV-2	NSP15	No functional ligands	16.05%	18.49%	11.20%		-	HKL-3000	99.30%	13.11	APS (19-ID)	PHENIX	2020-02-28	32304108	-	-	-	-	N/A	z	-	Uridylate-specific endoribonuclease	80.8	-		No			90.3	72.3	82.9		-
6w02	1.50 Å	2020-03-11	X-ray	APR	SARS-CoV-2	NSP3: Macro	Functional ligand	14.96%	17.29%	7.50%	ADENOSINE-5-DIPHOSPHORIBOSE	ADENOSINE-5-DIPHOSPHORIBOSE	HKL-3000	80.80%	25.3	APS (19-ID)	PHENIX	2020-02-28	32939273	-	-	-	-	N/A	-	-	Non-structural protein 3	85.3	-		No			94.4	89.6	83.5		-
6y84	1.39 Å	2020-03-11	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.79%	20.00%	5.90%		-	xia2; DIALS	97.50%	9.7	Diamond (I04-1)	BUSTER	2020-03-03	-	-	-	http://covid19.bioreproducibility.org/static/data/6y84/6y84_refined_1.pdb	http://covid19.bioreproducibility.org/static/data/6y84/6y84_refined_1.mtz	18.60%	-	Structure of good quality.	Replicase polyprotein 1ab	64.6	minimal		Yes	-	-	81.6	39.8	82.6		-
6lzg	2.50 Å	2020-03-18	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	18.84%	21.56%	12.90%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	26.7	SSRF (BL17U1)	PHENIX	2020-02-19	32275855	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	41.1	-		No	-		69.3	33.2	55.6		-
6m0j	2.45 Å	2020-03-18	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.20%	22.69%	12.00%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	24.2	SSRF (BL17U)	PHENIX	2020-02-21	32225176	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike receptor binding domain	52.4	-		No	-		58.4	59.6	61.8		-
6m3m	2.70 Å	2020-03-18	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	25.78%	29.34%	10.43%		-	CrysalisPro	99.50%	14.97	ROTATING ANODE ()	PHENIX	2020-03-04	32363136	-	-	-	-	28.90%	not done	Structure of good quality. No ligands. Some ramachandran outliers at the C-terminus. Many slashed side chains due to the lack of electron density – some can be built.	SARS-CoV-2 nucleocapsid protein - N-terminal RNA binding domain	4.4	minimal		No	-		9.0	25.2	33.0		-
6w4b	2.95 Å	2020-03-18	X-ray	-	SARS-CoV-2	NSP9	No functional ligands	23.98%	27.60%	19.00%		-	HKL-3000	97.10%	17.4	APS (19-BM)	PHENIX	2020-03-10	-	-	-	-	-	N/A	-	-	Non-structural protein 9	6.6	-		No		-	16.1	24.0	36.6		-
6w4h	1.80 Å	2020-03-18	X-ray	SO3, SAM, BDF	SARS-CoV-2	NSP10/NSP16	Protein-protein complex	14.90%	16.27%	6.00%	S-ADENOSYLMETHIONINE	SULFITE ION; S-ADENOSYLMETHIONINE; beta-D-fructopyranose	HKL-3000	100.00%	29.3	APS (21-ID-F)	REFMAC	2020-03-10	32994211	ZN	-	-	-	N/A	-	-	SARS-CoV-2 NSP16 - UNP residues 6799-7096; SARS-CoV-2 NSP10 - UNP residues 4254-4392	62.5	-		No			96.6	16.1	87.0		-
6y7m	1.90 Å	2020-03-18	X-ray	OEW	SARS-CoV	NSP5 (3CLpro)	Functional ligand	20.62%	25.76%	4.80%	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclohexyl-1-[[(2~{S},3~{R})-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	XDS	99.40%	12.8	PETRA III, DESY (P11)	REFMAC	2020-03-01	32198291	-	-	http://covid19.bioreproducibility.org/static/data/6y7m/6y7m_refined.pdb	http://covid19.bioreproducibility.org/static/data/6y7m/6y7m_refined.mtz	25.60%	Added one water molecule. Some minor difficult to correction issues.	Structure of good quality.	Replicase polyprotein 1a	29.2	minimal	Yes	Yes	-		28.6	45.7	60.0		-
5re4	1.88 Å	2020-03-25	X-ray	SZY	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.91%	26.64%	22.80%	N-(4-methylpyridin-3-yl)acetamide	N-(4-methylpyridin-3-yl)acetamide	XDS	99.50%	3.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	30.1	-		No			22.0	59.9	54.3		-
5re5	2.07 Å	2020-03-25	X-ray	T0J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.11%	26.49%	25.90%	N~1~-phenylpiperidine-1,4-dicarboxamide	N~1~-phenylpiperidine-1,4-dicarboxamide	XDS	99.90%	4.1	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	36.4	-		No			23.2	73.6	52.2		-
5re6	1.87 Å	2020-03-25	X-ray	O0S	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.57%	25.05%	23.00%	N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide	N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide	XDS	99.80%	4.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	46.0	-		No			34.8	64.3	68.4		-
5re7	1.79 Å	2020-03-25	X-ray	T0S	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.73%	22.50%	12.60%	N-[(4-sulfamoylphenyl)methyl]acetamide	N-[(4-sulfamoylphenyl)methyl]acetamide	XDS	99.40%	6.1	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	23.9	-		No			60.1	22.9	40.1		-
5re8	1.81 Å	2020-03-25	X-ray	T0V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.03%	24.83%	17.10%	1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine	1-(3-fluorophenyl)-N-[(furan-2-yl)methyl]methanamine	XDS	99.80%	4.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	34.5	-		No			36.8	52.1	56.2		-
5re9	1.72 Å	2020-03-25	X-ray	LPZ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.72%	22.48%	8.20%	2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone	2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone	XDS	98.70%	8.0	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	18.0	-		No			60.5	13.3	35.9		-
5rea	1.63 Å	2020-03-25	X-ray	JGP	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.52%	22.82%	9.60%	(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone	(azepan-1-yl)(2H-1,3-benzodioxol-5-yl)methanone	XDS	99.50%	6.2	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No			56.8	-	48.4		-
5reb	1.68 Å	2020-03-25	X-ray	T0Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.55%	22.37%	9.30%	1-[(thiophen-3-yl)methyl]piperidin-4-ol	1-[(thiophen-3-yl)methyl]piperidin-4-ol	XDS	99.50%	6.9	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	40.4	-		No			61.6	29.3	65.7		-
5rec	1.73 Å	2020-03-25	X-ray	T1J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.26%	23.71%	12.10%	2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol	2-{[(1H-benzimidazol-2-yl)amino]methyl}phenol	XDS	99.60%	5.9	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	49.4	-		No			47.7	64.3	61.8		-
5red	1.47 Å	2020-03-25	X-ray	JJG	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.14%	21.12%	8.50%	4-[2-(phenylsulfanyl)ethyl]morpholine	4-[2-(phenylsulfanyl)ethyl]morpholine	XDS	98.40%	6.2	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	34.1	-		No			73.0	17.6	53.7		-
5ree	1.77 Å	2020-03-25	X-ray	T1M	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.32%	24.24%	17.00%	(2R,3R)-1-benzyl-2-methylpiperidin-3-ol	(2R,3R)-1-benzyl-2-methylpiperidin-3-ol	XDS	99.80%	4.5	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	44.3	-		No			42.6	64.3	57.3		-
5ref	1.61 Å	2020-03-25	X-ray	6SU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.81%	24.61%	12.10%	methyl 3-(methylsulfonylamino)benzoate	methyl 3-(methylsulfonylamino)benzoate	XDS	99.10%	4.7	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	38.9	-		No			38.9	55.9	59.0		-
5reg	1.67 Å	2020-03-25	X-ray	LWA	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.92%	22.72%	11.90%	(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide	(2~{S})-~{N}-(4-aminocarbonylphenyl)oxolane-2-carboxamide	XDS	97.20%	5.2	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	21.4	-		No			57.9	21.0	38.8		-
5reh	1.80 Å	2020-03-25	X-ray	AWP	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.71%	25.73%	18.00%	1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea	1-cyclohexyl-3-(2-pyridin-4-ylethyl)urea	XDS	98.70%	5.4	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	26.4	-		No			28.8	59.9	39.6		-
5rei	1.82 Å	2020-03-25	X-ray	T1S	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.32%	24.01%	16.90%	4-[(3-chlorophenyl)methyl]morpholine	4-[(3-chlorophenyl)methyl]morpholine	XDS	99.80%	5.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	53.1	-		No			44.7	68.7	67.6		-
5rej	1.72 Å	2020-03-25	X-ray	T1V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.00%	24.05%	18.20%	1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one	1-{4-[(thiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one	XDS	99.50%	4.0	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	41.0	-		No			44.4	52.1	61.4		-
5rek	1.74 Å	2020-03-25	X-ray	T1Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.27%	23.04%	17.60%	1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one	1-{4-[(3-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one	XDS	99.20%	3.9	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	53.7	-		No			54.6	55.9	71.8		-
5rel	1.62 Å	2020-03-25	X-ray	T2G	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.21%	21.97%	10.90%	1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(3-methylphenyl)methyl]piperazin-1-yl}ethan-1-one	XDS	99.70%	5.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	53.7	-		No			65.4	52.1	64.7		-
5rem	1.96 Å	2020-03-25	X-ray	T2J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.50%	24.64%	16.40%	1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one	1 1-(4-(2-nitrophenyl)piperazin-1-yl)ethan-1-one	XDS	99.80%	4.7	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	38.9	-		No			38.7	59.9	55.2		-
5ren	2.15 Å	2020-03-25	X-ray	T2V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.38%	27.79%	27.70%	1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one	1-[(3R)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]ethan-1-one	XDS	99.20%	3.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	19.4	-		No			15.2	48.6	49.2		-
5reo	1.88 Å	2020-03-25	X-ray	T2Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.76%	22.68%	21.10%	N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide	N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide	XDS	99.60%	4.5	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	53.1	-		No			58.4	68.7	53.9		-
5rep	1.81 Å	2020-03-25	X-ray	T3G	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.83%	23.11%	15.80%	1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one	1-{4-[(2,6-difluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one	XDS	99.70%	5.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	63.1	-		No			53.9	78.5	68.6		-
5rer	1.88 Å	2020-03-25	X-ray	T3J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.72%	25.26%	21.10%	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one	1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]ethan-1-one	XDS	99.80%	3.8	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	47.4	-		No			32.9	78.5	58.6		-
5res	1.65 Å	2020-03-25	X-ray	T3V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.14%	22.63%	11.90%	1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one	1-{4-[(2-fluorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one	XDS	98.30%	6.0	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	58.5	-		No			58.8	64.3	68.5		-
5ret	1.68 Å	2020-03-25	X-ray	T47	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.20%	22.20%	12.50%	1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(3-chlorophenyl)methyl]piperazin-1-yl}ethan-1-one	XDS	99.80%	5.5	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	44.5	-		No			63.1	48.6	52.8		-
5reu	1.69 Å	2020-03-25	X-ray	T4D	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.30%	23.23%	16.30%	2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile	2-[(4-acetylpiperazin-1-yl)sulfonyl]benzonitrile	XDS	99.80%	4.2	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	52.7	-		No			52.7	64.3	63.3		-
5rev	1.60 Å	2020-03-25	X-ray	T4J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.63%	22.17%	11.20%	N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide	N-[3-(thiomorpholine-4-carbonyl)phenyl]acetamide	XDS	97.90%	6.2	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	52.8	-		No			63.5	52.1	64.8		-
5rew	1.55 Å	2020-03-25	X-ray	T4M	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.48%	22.36%	11.60%	N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide	N-[(1R)-1-(naphthalen-1-yl)ethyl]acetamide	XDS	99.50%	5.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	50.7	-		No			61.6	52.1	62.7		-
5rex	2.07 Å	2020-03-25	X-ray	T4V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.49%	25.07%	13.70%	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one	XDS	99.80%	5.5	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	40.1	-		No			34.6	64.3	57.1		-
5rey	1.96 Å	2020-03-25	X-ray	T4Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.58%	27.35%	20.90%	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one	1-{4-[(2-methylphenyl)methyl]-1,4-diazepan-1-yl}ethan-1-one	XDS	99.60%	3.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	33.1	-		No			17.5	55.9	68.8		-
5rez	1.79 Å	2020-03-25	X-ray	T54	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.15%	27.21%	15.00%	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxamide	XDS	99.30%	4.9	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	25.3	-		No			18.3	59.9	47.9		-
5rf0	1.65 Å	2020-03-25	X-ray	T5D	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.11%	22.64%	13.10%	[1-(pyridin-2-yl)cyclopentyl]methanol	[1-(pyridin-2-yl)cyclopentyl]methanol	XDS	99.80%	5.5	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	57.7	-		No			58.7	55.9	75.3		-
5rf1	1.73 Å	2020-03-25	X-ray	T5G	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.62%	23.61%	13.00%	4-bromobenzene-1-sulfonamide	4-bromobenzene-1-sulfonamide	XDS	99.50%	5.7	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	50.1	-		No			48.7	64.3	62.3		-
5rf2	1.53 Å	2020-03-25	X-ray	HVB	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.17%	22.16%	9.40%	1-azanylpropylideneazanium	1-azanylpropylideneazanium	XDS	99.00%	6.1	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	62.3	-		No			63.6	59.9	75.7		-
5rf3	1.50 Å	2020-03-25	X-ray	T5V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.53%	22.10%	9.80%	pyrimidin-5-amine	pyrimidin-5-amine	XDS	98.60%	6.2	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	56.9	-		No			64.1	48.6	75.6		-
5rf4	1.61 Å	2020-03-25	X-ray	T5Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.00%	22.49%	10.70%	pyridin-2-ol	pyridin-2-ol	XDS	99.20%	5.9	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	55.2	-		No			60.5	52.1	72.5		-
5rf5	1.74 Å	2020-03-25	X-ray	HV2	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.76%	23.06%	14.60%	1,1-bis(oxidanylidene)thietan-3-ol	1,1-bis(oxidanylidene)thietan-3-ol	XDS	99.80%	5.4	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	48.2	-		No			54.5	55.9	61.2		-
5rf6	1.45 Å	2020-03-25	X-ray	NTG	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.06%	21.74%	9.30%	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile	5-(1,4-oxazepan-4-yl)pyridine-2-carbonitrile	XDS	98.10%	5.4	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	50.8	-		No			67.6	48.6	60.3		-
5rf7	1.54 Å	2020-03-25	X-ray	T67	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.04%	21.69%	8.80%	1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one	1-(4-methylpiperazin-1-yl)-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethan-1-one	XDS	99.30%	6.5	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	59.4	-		No			68.2	55.9	69.3		-
5rf8	1.44 Å	2020-03-25	X-ray	SFY	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.73%	21.32%	7.80%	4-amino-N-(pyridin-2-yl)benzenesulfonamide	4-amino-N-(pyridin-2-yl)benzenesulfonamide	XDS	98.00%	6.7	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	65.0	-		No			71.3	55.9	77.6		-
5rf9	1.43 Å	2020-03-25	X-ray	S7D	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.20%	21.54%	7.70%	1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone	1-[(2~{S})-2-methylmorpholin-4-yl]-2-pyrazol-1-yl-ethanone	XDS	95.40%	7.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	51.4	-		No			69.4	39.8	68.7		-
5rfa	1.52 Å	2020-03-25	X-ray	JGY	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.67%	21.51%	7.80%	1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide	1-methyl-N-{[(2S)-oxolan-2-yl]methyl}-1H-pyrazole-3-carboxamide	XDS	98.80%	7.1	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	59.0	-		No			69.6	51.8	71.1		-
5rfb	1.48 Å	2020-03-25	X-ray	K3S	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.33%	22.35%	7.70%	N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine	N-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]ethanamine	XDS	97.90%	6.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	55.8	-		No			61.7	64.3	60.3		-
5rfc	1.40 Å	2020-03-25	X-ray	K1Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.95%	21.28%	6.90%	methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate	methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate	XDS	92.70%	7.7	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	57.0	-		No			71.8	48.6	68.2		-
5rfd	1.41 Å	2020-03-25	X-ray	T6J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.76%	21.10%	7.90%	2-[(methylsulfonyl)methyl]-1H-benzimidazole	2-[(methylsulfonyl)methyl]-1H-benzimidazole	XDS	94.20%	6.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	69.5	-		No			73.2	64.3	77.0		-
5rfe	1.46 Å	2020-03-25	X-ray	JGG	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.69%	21.36%	6.00%	N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide	N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide	XDS	94.40%	9.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	57.3	-		No			71.0	42.5	75.6		-
5rff	1.78 Å	2020-03-25	X-ray	T6M	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.20%	24.74%	18.50%	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one	1-{4-[(4-chlorophenyl)sulfonyl]piperazin-1-yl}ethan-1-one	XDS	99.80%	4.5	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	26.0	-		No			37.7	26.4	63.4		-
5rfg	2.32 Å	2020-03-25	X-ray	T6V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.21%	30.65%	36.10%	N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide	N-[(3S)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-phenylacetamide	XDS	99.80%	2.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	22.5	-		No			6.3	42.5	71.1		-
5rfh	1.58 Å	2020-03-25	X-ray	T6Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.86%	23.68%	10.60%	1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(5-chlorothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one	XDS	98.40%	5.1	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	25.7	-		No			48.2	22.9	55.8		-
5rfi	1.69 Å	2020-03-25	X-ray	T71	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.33%	24.23%	11.60%	1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one	1-{4-[(2,5-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one	XDS	98.50%	5.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	37.8	-		No			42.7	45.4	63.6		-
5rfj	1.80 Å	2020-03-25	X-ray	T7A	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.64%	24.14%	19.40%	N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide	N-(4-methoxy-1,3-benzothiazol-2-yl)acetamide	XDS	99.80%	4.0	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	48.5	-		No			43.5	73.6	55.0		-
5rfk	1.75 Å	2020-03-25	X-ray	T7D	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.75%	23.48%	18.10%	N-(1-acetylpiperidin-4-yl)benzamide	N-(1-acetylpiperidin-4-yl)benzamide	XDS	99.50%	4.2	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	47.6	-		No			50.3	59.9	60.3		-
5rfl	1.64 Å	2020-03-25	X-ray	T7G	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.43%	22.47%	13.40%	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide	1-acetyl-N-(2-hydroxyphenyl)piperidine-4-carboxamide	XDS	99.40%	4.8	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	49.0	-		No			60.6	45.4	67.2		-
5rfm	2.06 Å	2020-03-25	X-ray	T7J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.79%	25.72%	21.60%	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-methylphenyl)acetamide	XDS	99.80%	4.5	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	37.9	-		No			28.9	68.7	54.2		-
5rfn	1.80 Å	2020-03-25	X-ray	T7P	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.61%	23.90%	17.20%	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide	N-[(3R)-1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl]-N-(4-fluorophenyl)acetamide	XDS	99.90%	4.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	48.2	-		No			45.7	64.3	61.7		-
5rfo	1.83 Å	2020-03-25	X-ray	T7S	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.49%	27.75%	23.50%	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one	1-[4-(piperidine-1-carbonyl)piperidin-1-yl]ethan-1-one	XDS	99.90%	3.4	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	11.4	-		No			15.4	37.3	40.2		-
5rfp	2.03 Å	2020-03-25	X-ray	T7V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.67%	29.68%	29.70%	N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide	N-[(1S)-1-(3-chlorophenyl)ethyl]acetamide	XDS	99.80%	2.8	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	17.9	-		No			8.1	55.9	45.8		-
5rfq	1.76 Å	2020-03-25	X-ray	T7Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.00%	22.70%	19.40%	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide	N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide	XDS	99.60%	4.7	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	59.2	-		No			58.0	64.3	70.6		-
5rfr	1.71 Å	2020-03-25	X-ray	T81	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.53%	23.77%	13.10%	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one	XDS	99.20%	5.4	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	36.5	-		No			47.3	48.6	53.1		-
5rfs	1.70 Å	2020-03-25	X-ray	T84	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.69%	23.27%	14.20%	1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(thiophen-3-yl)methyl]piperazin-1-yl}ethan-1-one	XDS	99.20%	5.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	41.9	-		No			52.4	42.5	64.8		-
5rft	1.58 Å	2020-03-25	X-ray	T8A	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.53%	23.68%	12.10%	1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one	1-[(4S)-4-phenyl-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one	XDS	98.70%	4.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	42.6	-		No			48.2	45.4	67.3		-
5rfu	1.53 Å	2020-03-25	X-ray	T8D	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.53%	20.98%	9.40%	1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one	1-{4-[(5-chlorothiophen-2-yl)sulfonyl]piperazin-1-yl}ethan-1-one	XDS	99.20%	6.8	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	57.9	-		No			74.3	52.1	63.9		-
5rfv	1.48 Å	2020-03-25	X-ray	T8J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.73%	22.36%	8.70%	1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one	1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethan-1-one	XDS	97.90%	6.2	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	57.6	-		No			61.6	55.9	72.3		-
5rfw	1.43 Å	2020-03-25	X-ray	T8M	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.95%	22.32%	5.80%	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one	XDS	97.90%	9.0	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	31.7	-		No			61.9	16.6	60.8		-
5rfx	1.55 Å	2020-03-25	X-ray	T8P	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.44%	21.63%	10.40%	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one	1-[4-(4-methoxyphenyl)piperazin-1-yl]ethan-1-one	XDS	99.20%	5.8	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	53.7	-		No			68.6	45.4	68.1		-
5rfy	1.90 Å	2020-03-25	X-ray	T8S	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.98%	27.67%	24.00%	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide	1-acetyl-N-methyl-N-(propan-2-yl)piperidine-4-carboxamide	XDS	99.30%	3.6	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	34.1	-		No			15.8	68.7	59.7		-
5rfz	1.68 Å	2020-03-25	X-ray	T8V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.08%	22.65%	14.60%	N-(2-chloropyridin-3-yl)acetamide	N-(2-chloropyridin-3-yl)acetamide	XDS	99.70%	4.9	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	48.7	-		No			58.7	48.6	65.3		-
5rg0	1.72 Å	2020-03-25	X-ray	T8Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.81%	23.59%	12.80%	1,1'-(piperazine-1,4-diyl)di(ethan-1-one)	1,1'-(piperazine-1,4-diyl)di(ethan-1-one)	XDS	99.10%	5.3	Diamond (I04-1)	REFMAC	2020-03-15	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	47.7	-		No			49.1	64.3	57.2		-
6kl2	2.63 Å	2020-03-25	X-ray	-	MERS-CoV	Nucleocapsid	No functional ligands	28.00%	28.98%	9.50%		-	HKL-2000	94.50%	8.3	NSRRC (BL13B1)	PHENIX	2019-07-29	32105468	-	-	-	-	N/A	-	-	Nucleoprotein - N-terminal domain	22.9	-		No	-		10.0	84.9	26.0		-
6kl5	3.09 Å	2020-03-25	X-ray	DJO	MERS-CoV	Nucleocapsid	Functional ligand	28.11%	29.88%	13.70%	(phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate	(phenylmethyl) (2S)-2-(hydroxymethyl)-2,3-dihydroindole-1-carboxylate	HKL-2000	96.10%	5.6	NSRRC (BL13C1)	PHENIX	2019-07-29	32105468	-	-	-	-	N/A	-	-	Nucleoprotein - N-terminal domain	25.5	-		No	-		7.5	91.6	27.2		-
6kl6	2.77 Å	2020-03-25	X-ray	DJU	MERS-CoV	Nucleocapsid	Functional ligand	23.15%	27.07%	7.20%	N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine	N,N-dimethyl-1-(5-phenylmethoxy-1H-indol-3-yl)methanamine	HKL-2000	99.50%	11.8	SPring-8 (BL44XU)	PHENIX	2019-07-29	32105468	-	-	-	-	N/A	-	-	Nucleoprotein - N-terminal domain	-	-		No	-		19.2	-	14.6		-
6w41	3.08 Å	2020-03-25	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	22.26%	24.33%	13.60%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	5.0	APS (23-ID-D)	PHENIX	2020-03-09	32245784	-	-	http://covid19.bioreproducibility.org/static/data/6w41/6w41_refined.pdb	http://covid19.bioreproducibility.org/static/data/6w41/6w41_refined.mtz	24.70%	Shifted the coordinates into the reference unit cell with ACHESYM. Flipped two peptide bonds (Tyr380 of the spike fragment and Ile98 of the antibody heavy chain). There is some evidence of the presence of another NAG group bound to Asn343 of the spike protein, but we did not attempt to model it.	The coordinates are NOT in a standardized location in the unit cell. Comparatively low-resolution structure that is highly idealized.	CR3022 Fab heavy chain; CR3022 Fab light chain; Spike protein S1 - receptor binding domain	62.7	minimal	Yes	Yes	-		41.7	95.1	63.2		-
6w61	2.00 Å	2020-03-25	X-ray	SAM	SARS-CoV-2	NSP10/NSP16	Protein-protein complex	17.06%	19.30%	13.90%	S-ADENOSYLMETHIONINE	S-ADENOSYLMETHIONINE	HKL-3000	100.00%	37.1	APS (19-ID)	PHENIX	2020-03-15	-	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	59.8	-		No		-	86.1	39.8	68.1		-
6w63	2.10 Å	2020-03-25	X-ray	X77	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	14.99%	22.14%	N/A	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide	HKL-2000	99.30%	17.2	APS (21-ID-G)	PHENIX	2020-03-16	-	-	-	http://covid19.bioreproducibility.org/static/data/6w63/6w63_refined.pdb	http://covid19.bioreproducibility.org/static/data/6w63/6w63_refined.mtz	25.01%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	67.3	minimal	Yes	Yes	-	-	63.8	93.3	52.8		-
6w6y	1.45 Å	2020-03-25	X-ray	AMP, MES	SARS-CoV-2	NSP3: Macro	Functional ligand	14.21%	18.91%	10.90%	ADENOSINE MONOPHOSPHATE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	ADENOSINE MONOPHOSPHATE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-3000	98.60%	21.3	APS (19-ID)	REFMAC	2020-03-18	32939273	-	-	-	-	N/A	-	-	Non-structural protein 3 - ADP ribose phosphatase (ADRP) domain (UNP residues 1024-1192)	86.2	-		No	-		88.2	89.6	96.8		-
6w75	1.95 Å	2020-03-25	X-ray	NA, SAM, FMT	SARS-CoV-2	NSP10/NSP16	Protein-protein complex	15.73%	17.45%	7.70%	S-ADENOSYLMETHIONINE; FORMIC ACID; SODIUM ION	SODIUM ION; S-ADENOSYLMETHIONINE; FORMIC ACID	HKL-3000	100.00%	25.8	APS (21-ID-F)	REFMAC	2020-03-18	32994211	NA; ZN	-	-	-	N/A	-	-	SARS-CoV-2 NSP16 - UNP residues 6799-7096; SARS-CoV-2 NSP10 - UNP residues 4254-4392	60.2	-		No			94.0	14.0	87.0		-
6yb7	1.25 Å	2020-03-25	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.06%	19.17%	13.70%		-	DIALS	97.10%	9.7	Diamond (I04-1)	BUSTER	2020-03-16	-	-	-	http://covid19.bioreproducibility.org/static/data/6yb7/6yb7_refined.pdb	http://covid19.bioreproducibility.org/static/data/6yb7/6yb7_refined.mtz	16.30%	Re-refinement with individual anisotropic B factors. Fixed several rotamers. Added two water molecules. Substantial improvement of the refinement statistics and better electron density map; minimal changes to the model.	Refinement statistics and electron density map can be improved with minimal changes to the model.	Replicase polyprotein 1ab	71.8	minimal	Yes	Yes	-	-	92.0	52.3	75.4		-
5r8t	1.27 Å	2020-04-01	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.41%	20.81%	6.50%		-	XDS	86.10%	7.1	Diamond (I04-1)	REFMAC	2020-03-03	-	-	-	-	-	N/A	-	-	3C-like proteinase	70.3	-		No	-	-	75.6	68.7	72.1		-
6m71	2.90 Å	2020-04-01	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-03-16	32277040	-	-	-	-	N/A	-	-	SARS-Cov-2 NSP 12; SARS-Cov-2 NSP 7; SARS-Cov-2 NSP 8	N/A	-		No	-		N/A	N/A	N/A		-
6w9c	2.70 Å	2020-04-01	X-ray	-	SARS-CoV-2	NSP3: PLpro	No functional ligands	23.50%	27.91%	14.00%		-	HKL-3000	57.30%	4.9	APS (19-ID)	REFMAC	2020-03-22	-	ZN	-	http://covid19.bioreproducibility.org/static/data/6w9c/6w9c_refined.pdb	http://covid19.bioreproducibility.org/static/data/6w9c/6w9c_refined.mtz	29.80%	Re-refinement with added NCS restraints for chains A, B and C. Fixed a few rotamer outliers. Substantial improvement of the model was not possible due to the quality of electron density.	Very low completeness of the experimental data (57.3%). Poor quality of the electron density maps. Ambiguity of model building especially in the regions of C-terminal zinc-finger-like domains.	Papain-like proteinase	27.5	moderate	No	Yes		-	14.4	66.2	49.9		-
6waq	2.20 Å	2020-04-01	X-ray	NAG	SARS-CoV	Spike	Protein-protein complex	20.26%	23.59%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	MOSFLM	99.80%	6.2	APS (19-ID)	PHENIX	2020-03-25	32375025	-	-	-	-	N/A	-	-	nanobody SARS VHH-72; Spike glycoprotein	28.8	-		No	-		49.1	39.6	44.7		-
6l5t	1.72 Å	2020-04-08	X-ray	-	SADS-CoV	NSP3: PLpro	No functional ligands	17.93%	21.16%	11.60%		-	XDS	100.00%	16.7	SSRF (BL19U1)	PHENIX	2019-10-24	32216114	ZN	-	-	-	N/A	-	-	Peptidase C16	68.0	-		No	-		72.7	46.4	92.2		-
6w9q	2.05 Å	2020-04-08	X-ray	PO4	SARS-CoV-2	NSP9	Functional ligand	23.27%	24.59%	N/A	PHOSPHATE ION	PHOSPHATE ION	XDS	100.00%	13.7	Australian Synchrotron (MX2)	PHENIX	2020-03-23	32592996	-	-	-	-	N/A	-	-	3C-like proteinase peptide, Non-structural protein 9 fusion	26.0	-		No	-		39.4	37.7	50.4		-
6yi3	-	2020-04-08	NMR	-	SARS-CoV-2	Nucleocapsid	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-03-31	33264373	-	-	-	-	N/A	-	-	Nucleoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7btf	2.95 Å	2020-04-08	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-04-01	32277040	ZN	-	-	-	N/A	-	-	NSP12; NSP7; NSP8	N/A	-		No	-		N/A	N/A	N/A		-
5rg1	1.65 Å	2020-04-15	X-ray	T9J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.19%	21.52%	14.30%	Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide	Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide	XDS	99.70%	5.1	Diamond (I04-1)	REFMAC	2020-03-18	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	59.5	-		No	-		69.6	64.3	59.7		-
5rg2	1.63 Å	2020-04-15	X-ray	T9M	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.31%	22.83%	12.70%	N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide	N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide	XDS	99.70%	5.9	Diamond (I04-1)	REFMAC	2020-03-18	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	47.3	-		No	-		56.7	55.9	57.2		-
5rg3	1.58 Å	2020-04-15	X-ray	T9P	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.51%	21.50%	9.00%	N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide	N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide	XDS	99.60%	6.9	Diamond (I04-1)	REFMAC	2020-03-18	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	49.0	-		No	-		69.7	52.1	51.4		-
5rgg	2.26 Å	2020-04-15	X-ray	NZD	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.65%	21.65%	33.80%	4-methyl-N-phenylpiperazine-1-carboxamide	4-methyl-N-phenylpiperazine-1-carboxamide	XDS	99.40%	4.4	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	51.6	-		No	-		68.4	45.4	64.2		-
5rgh	1.70 Å	2020-04-15	X-ray	U0M	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.54%	20.76%	11.10%	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine	5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine	XDS	99.60%	8.4	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	59.0	-		No	-		76.1	52.1	64.3		-
5rgi	1.57 Å	2020-04-15	X-ray	U0P	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.03%	21.17%	9.60%	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea	XDS	99.40%	7.2	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	54.4	-		No	-		72.7	37.3	73.5		-
5rgj	1.34 Å	2020-04-15	X-ray	U0S	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.57%	20.62%	7.10%	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane	XDS	87.80%	8.0	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	53.1	-		No	-		77.1	45.4	58.6		-
5rgk	1.43 Å	2020-04-15	X-ray	U0V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.42%	20.99%	7.80%	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide	XDS	97.30%	7.4	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	51.6	-		No	-		74.2	29.3	74.6		-
5rgl	1.76 Å	2020-04-15	X-ray	U0Y	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.04%	22.89%	21.50%	1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one	1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one	XDS	99.70%	3.9	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	57.3	-		No	-		56.3	52.1	80.8		-
5rgm	2.04 Å	2020-04-15	X-ray	U1D	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.39%	22.37%	16.40%	N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide	N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide	XDS	99.90%	6.1	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	48.0	-		No	-		61.6	59.9	49.7		-
5rgn	1.86 Å	2020-04-15	X-ray	U1A	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.36%	23.32%	24.30%	1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one	1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one	XDS	99.20%	3.9	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	48.9	-		No	-		51.8	55.9	65.4		-
5rgo	1.74 Å	2020-04-15	X-ray	U1G	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.49%	21.75%	15.50%	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one	XDS	99.60%	5.3	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	49.7	-		No	-		67.5	37.3	69.7		-
5rgp	2.07 Å	2020-04-15	X-ray	U1M	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.10%	20.19%	13.00%	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one	XDS	99.50%	6.6	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	76.2	-		No	-		80.5	73.6	77.1		-
5rgq	2.15 Å	2020-04-15	X-ray	U1V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.00%	22.50%	11.00%	1-(4-fluoro-2-methylphenyl)methanesulfonamide	1-(4-fluoro-2-methylphenyl)methanesulfonamide	XDS	99.80%	8.4	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	48.4	-		No	-		60.1	35.0	77.0		-
5rgr	1.41 Å	2020-04-15	X-ray	K1G	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.28%	20.01%	5.70%	N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	XDS	88.50%	8.6	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	69.6	-		No	-		81.6	64.3	69.0		-
5rgs	1.72 Å	2020-04-15	X-ray	S7V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.25%	23.06%	13.40%	[(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol	[(2~{R})-4-(phenylmethyl)morpholin-2-yl]methanol	XDS	99.50%	6.2	Diamond (I04-1)	REFMAC	2020-04-07	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	50.5	-		No	-		54.5	55.9	65.7		-
6m2n	2.20 Å	2020-04-15	X-ray	3WL	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.54%	25.44%	9.20%	5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one	5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one	HKL-3000	97.80%	4.9	SSRF (BL18U1)	PHENIX	2020-02-28	32737471	-	-	http://covid19.bioreproducibility.org/static/data/6m2n/6m2n_refined.pdb	http://covid19.bioreproducibility.org/static/data/6m2n/6m2n_refined.mtz	27.10%	Achesymed. Rotated residues: Gln 306A, His 41A, His 41B, His41C, His 164C, His 41D. Added few waters.	The coordinates are NOT in a standardized location in the unit cell.	SARS-CoV-2 3CL protease	17.4	minimal	Yes	Yes	-		31.3	26.6	50.6		-
6m2q	1.70 Å	2020-04-15	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.55%	20.40%	7.70%		-	HKL-2000	99.00%	4.0	SSRF (BL18U1)	PHENIX	2020-02-28	32737471	-	-	http://covid19.bioreproducibility.org/static/data/6m2q/6m2q_refined.pdb	http://covid19.bioreproducibility.org/static/data/6m2q/6m2q_refined.mtz	21.80%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	SARS-CoV-2 3CL protease	81.6	minimal	Yes	Yes	-		78.8	73.6	96.1		-
6wcf	1.06 Å	2020-04-15	X-ray	MES	SARS-CoV-2	NSP3: Macro	No functional ligands	12.54%	15.37%	9.40%	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-3000	97.90%	18.74	APS (19-ID)	PHENIX	2020-03-30	32939273	-	-	-	-	N/A	-	-	Non-structural protein 3	67.1	-		No			97.9	38.1	73.3		-
6wen	1.35 Å	2020-04-15	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	10.36%	14.41%	8.90%		-	HKL-3000	95.70%	24.13	APS (19-ID)	REFMAC	2020-04-02	32939273	-	-	-	-	N/A	-	-	Non-structural protein 3	87.4	-		No			98.8	95.7	99.6		-
6yla	2.42 Å	2020-04-15	X-ray	MLI, NAG, 1PE, PG0	SARS-CoV-2	Spike	Pathogen-host interaction	21.27%	23.67%	30.30%	MALONATE ION; 2-(2-METHOXYETHOXY)ETHANOL; PENTAETHYLENE GLYCOL	MALONATE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose; PENTAETHYLENE GLYCOL; 2-(2-METHOXYETHOXY)ETHANOL	xia2	100.00%	11.6	Diamond (I03)	PHENIX; PHENIX	2020-04-06	32585135	-	-	http://covid19.bioreproducibility.org/static/data/6yla/6yla_refined.pdb	http://covid19.bioreproducibility.org/static/data/6yla/6yla_refined.mtz	23.80%	Replaced 18 buffer molecules with water molecules or PEG.	Multiple buffer molecules (DMS, MLE, MLI) with very weak electron density.	Spike glycoprotein; Heavy Chain; Light chain	43.9	minimal		Yes	-		48.3	43.6	71.5		-
6wiq	2.85 Å	2020-04-22	X-ray	-	SARS-CoV-2	NSP7/NSP8	Protein-protein complex	20.82%	25.23%	13.00%		-	HKL-3000	97.90%	18.2	APS (19-ID)	PHENIX	2020-04-10	34197805	-	-	-	-	N/A	-	-	SARS-CoV-2 NSP7 - UNP residues 3860-3942; SARS-CoV-2 NSP8 - C-terminal domain (UNP residues 4019-4140)	64.7	-		No	-		33.1	90.8	80.3		-
6wji	2.05 Å	2020-04-22	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	18.69%	22.75%	17.10%		-	HKL-3000	97.00%	9.7	APS (21-ID-F)	REFMAC	2020-04-13	37191546	-	-	-	-	N/A	-	-	SARS-CoV-2 nucleocapsid protein - C-terminal dimerization domain (UNP residues 257-364)	67.1	-		No			57.6	82.1	69.5		-
6wjt	2.00 Å	2020-04-22	X-ray	NA, SAH, FMT	SARS-CoV-2	NSP10/NSP16	Functional ligand	17.11%	19.11%	10.10%	SODIUM ION; FORMIC ACID; S-ADENOSYL-L-HOMOCYSTEINE	SODIUM ION; S-ADENOSYL-L-HOMOCYSTEINE; FORMIC ACID	HKL-3000	100.00%	16.7	APS (21-ID-F)	REFMAC	2020-04-14	32994211	ZN; NA	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	59.3	-		No			87.1	14.9	91.1		-
7bqy	1.70 Å	2020-04-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.49%	22.57%	6.10%	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	-	HKL-2000	98.10%	7.5	SSRF (BL19U1)	PHENIX	2020-03-26	32272481	-	-	http://covid19.bioreproducibility.org/static/data/7bqy/7bqy_refined.pdb	http://covid19.bioreproducibility.org/static/data/7bqy/7bqy_refined.mtz	23.70%	Deleted terminal benzyl group from the inhibitor (residue 010) and introduced full carboxyl COO including OXT atom in residue PJE.	Minor issues with inhibitor modeling.	main protease; N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	49.2	minimal	Yes	Yes	-		59.6	35.0	78.9		-
7bv1	2.80 Å	2020-04-22	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	phenix.real_space_refine; PHENIX	2020-04-09	32358203	ZN	-	-	-	N/A	-	-	nsp12; nsp8; nsp7	N/A	-		No	-		N/A	N/A	N/A		-
7bv2	2.50 Å	2020-04-22	Cryo-EM	POP, F86	SARS-CoV-2	NSP7/NSP8/NSP12	Functional ligand	N/A	N/A	N/A	Templete; Primer; PYROPHOSPHATE 2-; [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate	PYROPHOSPHATE 2-; [(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate		-	-	()	PHENIX; phenix.real_space_refine	2020-04-09	32358203	MG; ZN	-	-	-	N/A	-	-	nsp12; nsp8; nsp7; Primer; Templete	N/A	-		No	-		N/A	N/A	N/A		-
6l70	1.56 Å	2020-04-29	X-ray	K36	PEDV	NSP5 (3CLpro)	Functional ligand	17.41%	20.70%	5.50%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid		98.60%	17.0	SSRF (BL17U)	PHENIX	2019-10-30	32098094	-	-	-	-	N/A	-	-	PEDV main protease	57.0	-		No	-		76.5	33.4	78.7		-
6lze	1.50 Å	2020-04-29	X-ray	FHR	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.60%	19.89%	4.20%	~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide	~{N}-[(2~{S})-3-cyclohexyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide	XDS	98.00%	13.99	NFPSS (BL19U1)	PHENIX	2020-02-19	32321856	-	-	http://covid19.bioreproducibility.org/static/data/6lze/6lze_refined.pdb	http://covid19.bioreproducibility.org/static/data/6lze/6lze_refined.mtz	18.69%	Placed the coordinates in a standardized location in the unit cell using ACHESYM. Refined inhibitor.	The coordinates are NOT in a standardized location in the unit cell. Distortions in the inhibitor.	Replicase polyprotein 1ab	55.9	minimal	Yes	Yes	-		82.5	23.9	80.1		-
6m0k	1.50 Å	2020-04-29	X-ray	FJC	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.95%	19.31%	3.00%	~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide	~{N}-[(2~{S})-3-(3-fluorophenyl)-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]propan-2-yl]-1~{H}-indole-2-carboxamide	XDS	98.80%	18.69	NFPSS (BL19U1)	PHENIX	2020-02-22	32321856	-	-	http://covid19.bioreproducibility.org/static/data/6m0k/6m0k_refined.pdb	http://covid19.bioreproducibility.org/static/data/6m0k/6m0k_refined.mtz	17.80%	Placed the coordinates in a standardized location in the unit cell using ACHESYM. Refined inhibitor.	The coordinates are NOT in a standardized location in the unit cell. Distortions in the inhibitor.	Replicase polyprotein 1ab	54.3	minimal	Yes	Yes	-		86.1	19.5	77.7		-
6w37	2.90 Å	2020-04-29	X-ray	-	SARS-CoV-2	ORF7a	No functional ligands	23.59%	26.80%	24.90%		-	XDS	99.90%	9.8	APS (21-ID-G)	PHENIX	2020-03-09	-	-	-	-	-	N/A	-	-	Protein 7a - H-2Kb residues 1-277	27.6	-		No	-	-	20.8	11.6	98.4		-
6wey	0.95 Å	2020-04-29	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	11.91%	13.62%	6.30%		-	DIALS	98.20%	13.1	APS (21-ID-F)	PHENIX	2020-04-03	32578982	-	-	-	-	N/A	-	-	Non-structural protein 3 - Macro X domain (residues 207-377)	83.9	-		No	-		99.3	63.8	96.0		-
6wkp	2.67 Å	2020-04-29	X-ray	MES	SARS-CoV-2	Nucleocapsid	No functional ligands	19.73%	24.77%	9.10%	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-3000	97.50%	8.2	APS (19-ID)	PHENIX	2020-04-16	-	ZN	-	-	-	N/A	-	-	SARS-CoV-2 nucleocapsid protein - RNA-binding domain (UNP residues 47-173)	55.0	-		No		-	37.5	68.6	78.5		-
6wkq	1.98 Å	2020-04-29	X-ray	NA, SFG, FMT	SARS-CoV-2	NSP10/NSP16	Functional ligand	16.23%	17.99%	7.10%	FORMIC ACID; SINEFUNGIN; SODIUM ION	SODIUM ION; SINEFUNGIN; FORMIC ACID	HKL-3000	100.00%	22.2	APS (21-ID-F)	REFMAC	2020-04-16	32994211	NA; ZN	-	-	-	N/A	-	-	SARS-CoV-2 NSP16 - UNP residues 6799-7096; SARS-CoV-2 NSP10 - UNP residues 4254-4392	63.1	-		No			92.2	13.7	94.9		-
6wlc	1.82 Å	2020-04-29	X-ray	U5P, TRS, FMT	SARS-CoV-2	NSP15	Functional ligand	17.03%	19.49%	14.70%	URIDINE-5'-MONOPHOSPHATE; 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	URIDINE-5'-MONOPHOSPHATE; 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; FORMIC ACID	HKL-3000	100.00%	18.8	APS (19-ID)	PHENIX	2020-04-19	33564093	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	83.4	-		No	-		85.1	87.7	83.6		-
6yhu	2.00 Å	2020-04-29	X-ray	-	SARS-CoV-2	NSP7/NSP8	Protein-protein complex	21.43%	23.93%	7.41%		-	XDS	99.39%	17.1	ROTATING ANODE ()	PHENIX	2020-03-31	32535228	-	-	-	-	N/A	-	-	Replicase polyprotein 1a; Replicase polyprotein 1a	69.9	-		No	-		45.5	70.3	99.7		-
6ym0	4.36 Å	2020-04-29	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	32.28%	31.88%	68.30%		-	xia2	100.00%	4.0	Diamond (I03)	REFMAC	2020-04-07	32585135	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain; light chain	1.0	-		No	-		5.1	28.3	11.2		-
6ynq	1.80 Å	2020-04-29	X-ray	P6N	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.22%	22.61%	N/A	(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one	(2~{S})-2-methyl-3,4-dihydro-2~{H}-naphthalen-1-one	XDS	94.90%	2.42	PETRA III, DESY (P11)	PHENIX	2020-04-14	33811162	-	-	http://covid19.bioreproducibility.org/static/data/6ynq/6ynq_refined.pdb	http://covid19.bioreproducibility.org/static/data/6ynq/6ynq_refined.mtz	24.70%	Linked the inhibitor to both conformations of Cys124. Placed the coordinates in a standardized location in the unit cell. Fixed conformations of the following residues: 1, 4, 5, 19, 22-25, 47, 55, 60, 61, 90, 117, 123, 128, 137, 154 (cut side-chain), 162, 165, 188, 205, 217, 221, 240, 254, 279, 284, 298, 304. Removed residues 305-306. Remodeled multiple water molecules.	The inhibitor at full occupancy is linked to only one of the two conformations of Cys145. Several poorly modelled side-chains. The coordinates are NOT in a standardized location in the unit cell. Discrepancy in reported resolution: 1.8 A author-reported on the main page, 1.3 A author-reported on the "experiment" page and the cif file, and the deposited data are at 1.75 A. Very skewed cumulative intensity distribution.	Replicase polyprotein 1ab	39.2	moderate	Yes	Yes			59.0	48.9	46.4		-
6yor	3.30 Å	2020-04-29	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-04-15	32585135	-	-	-	-	N/A	-	-	Spike glycoprotein; IgG H chain; IgG L chain	N/A	-		No	-		N/A	N/A	N/A		-
7buy	1.60 Å	2020-04-29	X-ray	JRY	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.93%	20.12%	3.40%	hexylcarbamic acid	hexylcarbamic acid	XDS	99.20%	17.25	SSRF (BL17U1)	PHENIX	2020-04-08	32382072	-	-	http://covid19.bioreproducibility.org/static/data/7buy/7buy_refined.pdb	http://covid19.bioreproducibility.org/static/data/7buy/7buy_refined.mtz	20.53%	Used ACHESYM to standardize location in the unit cell.	The coordinates are NOT in a standardized location in the unit cell.	SARS-CoV-2 virus Main protease	41.7	minimal	Yes	Yes	-		80.9	26.6	51.9		-
6wks	1.80 Å	2020-05-06	X-ray	SAM, ADN, GTA	SARS-CoV-2	NSP10/NSP16	Protein-protein complex	15.20%	18.80%	13.00%	P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; S-ADENOSYLMETHIONINE; ADENOSINE	S-ADENOSYLMETHIONINE; ADENOSINE; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE	XDS	99.90%	13.6	()	REFMAC	2020-04-16	32709886	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	47.5	-		No	-		88.7	14.1	67.3		-
6wnp	1.44 Å	2020-05-06	X-ray	U5G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.07%	19.59%	6.43%	boceprevir (bound form)	boceprevir (bound form)	HKL-2000	99.00%	19.85	APS (21-ID-F)	PHENIX; PHENIX	2020-04-23	-	-	-	http://covid19.bioreproducibility.org/static/data/6wnp/6wnp_rerefinement.pdb	http://covid19.bioreproducibility.org/static/data/6wnp/6wnp_rerefinement.mtz	15.84%	Used anisotropic refinement, modeled disorder for: LEU 67 A, GLN 110 A, SER 121 A, VAL 125 A, ASP 153 A, SER 267 A, MET 276 A. Chaged rotamers of: SER 1 A, ARG 76 A, GLN 127 A, THR 154 A, PRO 168 A, THR 196 A, LYS 236 A, ASN 277 A. Added 110 HOH molecules.	Missing disorder in few residues and a lot of unmodeled waters.	3C-like proteinase	57.1	minimal	Yes	Yes	-	-	84.5	28.0	76.4		-
6woj	2.20 Å	2020-05-06	X-ray	APR	SARS-CoV-2	NSP3: Macro	Functional ligand	19.93%	25.19%	13.00%	ADENOSINE-5-DIPHOSPHORIBOSE	ADENOSINE-5-DIPHOSPHORIBOSE	XDS	99.40%	7.3	APS (17-ID)	PHENIX	2020-04-24	33158944	-	-	-	-	N/A	-	-	Non-structural protein 3 - UNP Residues 1023-1197	61.6	-		No	-		33.6	91.8	72.3		-
6wq3	2.10 Å	2020-05-06	X-ray	SAH, GTA, 8NK	SARS-CoV-2	NSP10/NSP16	Functional ligand	16.61%	18.59%	7.50%	7-methylguanosine 5'-diphosphate; S-ADENOSYL-L-HOMOCYSTEINE; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE	S-ADENOSYL-L-HOMOCYSTEINE; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; 7-methylguanosine 5'-diphosphate	HKL-3000	98.80%	21.1	APS (21-ID-F)	REFMAC	2020-04-28	32994211	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	61.5	-		No			89.8	12.8	94.9		-
6wqd	1.95 Å	2020-05-06	X-ray	-	SARS-CoV-2	NSP7/NSP8	No functional ligands	18.66%	22.87%	18.80%		-	HKL-3000	97.30%	22.5	APS (19-ID)	REFMAC; PHENIX	2020-04-28	34197805	-	-	-	-	N/A	-	-	SARS-CoV-2 NSP7 - UNP residues 3860-3942; SARS-CoV-2 NSP8 - C-terminal domain (UNP residues 4019-4140)	62.8	-		No	-		56.4	63.4	80.4		-
6wqf	2.30 Å	2020-05-06	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.96%	22.96%	11.00%		-	CrysalisPro	95.40%	8.1	ROTATING ANODE ()	PHENIX	2020-04-28	32581217	-	-	http://covid19.bioreproducibility.org/static/data/6wqf/6wqf_refined_1.pdb	http://covid19.bioreproducibility.org/static/data/6wqf/6wqf_refined_1.mtz	23.90%	Changed space group to C2, reindexed from h,k,l to -h-l, k, h.	Non-standard space group, while standard C2 would make it compatible with many other structures of this protein.	3C-like proteinase	61.9	minimal	Yes	Yes	-		55.5	45.7	97.3		-
6wrh	1.60 Å	2020-05-06	X-ray	PO4	SARS-CoV-2	NSP3: PLpro	No functional ligands	12.34%	16.43%	9.50%	PHOSPHATE ION	PHOSPHATE ION	HKL-3000	99.10%	6.8	APS (19-ID)	REFMAC	2020-04-29	33531496	ZN	-	-	-	N/A	-	-	Non-structural protein 3	77.3	-		No			96.3	44.0	94.0		-
6ywk	2.20 Å	2020-05-06	X-ray	EPE	SARS-CoV-2	NSP3: Macro	No functional ligands	17.63%	21.39%	13.80%	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	XDS	100.00%	10.7	SLS (X06SA)	REFMAC	2020-04-29	33850605	MG	-	-	-	N/A	-	-	NSP3 macrodomain	78.9	-		No	-		70.8	84.4	83.9		-
6ywl	2.50 Å	2020-05-06	X-ray	APR	SARS-CoV-2	NSP3: Macro	Functional ligand	18.89%	22.32%	19.90%	ADENOSINE-5-DIPHOSPHORIBOSE	ADENOSINE-5-DIPHOSPHORIBOSE	XDS	99.40%	6.9	SLS (X06SA)	REFMAC	2020-04-29	33850605	MG	-	-	-	N/A	-	-	NSP3 macrodomain	72.5	-		No	-		61.9	79.2	80.6		-
6ywm	2.16 Å	2020-05-06	X-ray	MES	SARS-CoV-2	NSP3: Macro	No functional ligands	17.52%	22.92%	16.20%	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	100.00%	8.3	SLS (X06SA)	REFMAC	2020-04-29	33850605	MG	-	-	-	N/A	-	-	NSP3 macrodomain	70.4	-		No	-		55.8	89.7	71.1		-
6wrz	2.25 Å	2020-05-13	X-ray	SAH, GTA, MGP	SARS-CoV-2	NSP10/NSP16	Functional ligand	16.20%	19.02%	7.70%	7-METHYL-GUANOSINE-5'-TRIPHOSPHATE; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; S-ADENOSYL-L-HOMOCYSTEINE	S-ADENOSYL-L-HOMOCYSTEINE; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE	HKL-3000	99.00%	23.4	APS (21-ID-F)	REFMAC	2020-04-30	32994211	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	62.4	-		No			87.6	14.4	97.4		-
6wtc	1.85 Å	2020-05-13	X-ray	ACY	SARS-CoV-2	NSP7/NSP8	No functional ligands	18.68%	21.41%	8.30%		ACETIC ACID	HKL-3000	93.00%	12.9	APS (19-ID)	PHENIX	2020-05-02	-	-	-	-	-	N/A	-	-	SARS-CoV-2 NSP7 - UNP residues 3860-3942; SARS-CoV-2 NSP8 - C-terminal domain (UNP residues 4019-4140)	78.2	-		No	-	-	70.5	82.4	84.0		-
6wvn	2.00 Å	2020-05-13	X-ray	SAM, GTA, MGP, ADE	SARS-CoV-2	NSP10/NSP16	Functional ligand	16.23%	17.80%	7.00%	ADENINE; S-ADENOSYLMETHIONINE; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE	S-ADENOSYLMETHIONINE; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE; ADENINE	HKL-3000	99.80%	20.3	APS (21-ID-F)	REFMAC	2020-05-06	32994211	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	63.4	-		No			92.8	14.2	94.4		-
6yva	3.18 Å	2020-05-13	X-ray	-	SARS-CoV-2	NSP3: PLpro	Protein-protein complex	24.96%	29.02%	5.75%		-	XDS	99.61%	8.58	SLS (X06SA)	PHENIX; PHENIX	2020-04-28	32726803	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1a; Ubiquitin-like protein ISG15	8.4	-		No	-		9.8	42.0	31.3		-
6yyt	2.90 Å	2020-05-13	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12/RNA	Functional ligand	N/A	N/A	N/A	RNA product	-		-	-	()		2020-05-06	32438371	ZN	-	-	-	N/A	-	-	nsp12; nsp8; nsp7; RNA product	N/A	-		No	-		N/A	N/A	N/A	RNA product	-
6yz1	2.40 Å	2020-05-13	X-ray	SFG, MES	SARS-CoV-2	NSP10/NSP16	Functional ligand	18.66%	22.56%	40.80%	SINEFUNGIN; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	SINEFUNGIN; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	100.00%	12.8	LIQUID ANODE ()	PHENIX	2020-05-06	32709887	ZN	-	-	-	N/A	-	-	nsp16; nsp10	62.8	-		No	-		59.7	87.6	53.1		-
7bro	2.00 Å	2020-05-13	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	22.62%	25.90%	N/A		-	HKL-2000	99.60%	70.7	SSRF (BL17U1)	PHENIX	2020-03-29	32887884	-	-	http://covid19.bioreproducibility.org/static/data/7bro/7bro-refmac.pdb	http://covid19.bioreproducibility.org/static/data/7bro/7bro-refmac.mtz	24.50%	Re-refinement and rebuilding an incorrect model; move atoms into the electron density to reduce the amount of difference density.	In some places the main chain is twisted out of density. The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	29.0	moderate	Yes	Yes	-		27.3	48.2	58.4		-
7brp	1.80 Å	2020-05-13	X-ray	U5G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.56%	23.96%	N/A	boceprevir (bound form)	boceprevir (bound form)	HKL-2000	99.50%	28.4	SSRF (BL17U1)	PHENIX	2020-03-29	32887884	-	-	http://covid19.bioreproducibility.org/static/data/7brp/7brp_refine.pdb	http://covid19.bioreproducibility.org/static/data/7brp/7brp_refine.mtz	21.90%	After re-refinement with standard TLS and minor corrections of model Rfree has dropped by 4%.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	42.3	minimal	Yes	Yes	-		45.3	50.0	65.0		-
7bz5	1.84 Å	2020-05-13	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	16.71%	19.14%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.41%	16.9	SSRF (BL17U1)	PHENIX	2020-04-26	32404477	-	-	-	-	N/A	-	-	Spike protein S1; Heavy chain of B38; Light chain of B38	64.3	-		No	-		87.0	29.5	86.8		-
6wtj	1.90 Å	2020-05-20	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.86%	23.48%	N/A	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	97.90%	7.18	SSRL (BL12-2)	PHENIX	2020-05-02	32855413	-	-	http://covid19.bioreproducibility.org/static/data/6wtj/6wtj_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/6wtj/6wtj_rerefined.mtz	24.20%	Placed the coordinates in a standardized location in the unit cell. Modified residues 55, 151, 177, 222, 228, 235, 290, 298. Deleted 302-306. Changed Wat549 (special position) to Cl. Deleted Wat 523, 552.	Wrong number of reflections, the coordinates are not in a standard unit cell placement.	3C-like proteinase	27.9	minimal	Yes	Yes	-		50.3	42.8	38.5		-
6wtk	2.00 Å	2020-05-20	X-ray	UED	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.59%	25.53%	N/A	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	96.00%	5.6	SSRL (BL12-2)	PHENIX	2020-05-03	32855413	-	-	http://covid19.bioreproducibility.org/static/data/6wtk/6wtk-refined.pdb	http://covid19.bioreproducibility.org/static/data/6wtk/6wtk_refined.mtz	27.42%	Achesymed. The inhibitor was designated K36, as in other structures of GC376.	The data in the PDB apparently extend to 1.2 A, although only 2 A data were used for refinement. Higher resolution data are too weak to consider them to be observed.	3C-like proteinase	-	minimal	Yes	Yes	-		30.5	-	31.0		-
6wtm	1.85 Å	2020-05-20	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.77%	25.16%	N/A		-	XDS	97.80%	6.42	SSRL (BL12-2)	PHENIX	2020-05-03	32855413	-	-	http://covid19.bioreproducibility.org/static/data/6wtm/6wtm_refined.pdb	http://covid19.bioreproducibility.org/static/data/6wtm/6wtm_refined.mtz	25.70%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	53.3	minimal	Yes	Yes	-		33.8	83.7	63.9		-
6wtt	2.15 Å	2020-05-20	X-ray	K36, B1S	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.45%	30.01%	11.00%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-3000	100.00%	5.2	APS (19-ID)	REFMAC	2020-05-03	32541865	MG	-	http://covid19.bioreproducibility.org/static/data/6wtt/6wtt_refined.pdb	http://covid19.bioreproducibility.org/static/data/6wtt/6wtt_refined.mtz	28.69%	Achesymed.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	5.6	minimal	Yes	Yes	-		7.2	20.3	45.0		-
6wuu	2.79 Å	2020-05-20	X-ray	-	SARS-CoV-2	NSP3: PLpro	Functional ligand	19.52%	22.97%	15.80%	VIR250	-	XDS	99.60%	10.1	APS (24-ID-C)	PHENIX	2020-05-05	33067239	MG; ZN	-	-	-	N/A	-	-	papain-like protease - UNP Residues 1563-1879; VIR250	64.2	-		No	-		55.4	77.2	70.7		-
6wx4	1.66 Å	2020-05-20	X-ray	-	SARS-CoV-2	NSP3: PLpro	Functional ligand	16.96%	19.58%	9.40%	VIR251	-	XDS	99.50%	15.5	APS (24-ID-C)	PHENIX	2020-05-09	33067239	ZN	-	http://covid19.bioreproducibility.org/static/data/6wx4/6wx4_refined.pdb	http://covid19.bioreproducibility.org/static/data/6wx4/6wx4_refined.mtz	18.10%	Corrected geometry of the inhibitor. Mutated Cys270 to Cso (hydroxy-cystein). Placed the coordinates in a standardized location in the unit cell. Altered conformations of the following residues: 2, 3,18, 60, 140, 270, 306, 308. Added 51 water molecules.	Incorrect geometry (flat instead of tetrahedral) of the inhibitor carbon atom linked to Cys111. Cys270 is oxidised and should be modelled as such. Many missing water molecules. Conformations of several residues can be corrected. The coordinates are NOT in a standardized location in the unit cell.	Non-structural protein 3; VIR251	85.6	moderate	Yes	Yes	-		84.5	89.2	95.5		-
6wxc	1.85 Å	2020-05-20	X-ray	CMU, PO4, FMT	SARS-CoV-2	NSP15	Functional ligand	17.09%	19.37%	15.90%	FORMIC ACID; 5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL; PHOSPHATE ION	5-CHLORO-6-(1-(2-IMINOPYRROLIDINYL) METHYL) URACIL; PHOSPHATE ION; FORMIC ACID	HKL-3000	99.80%	22.5	APS (19-ID)	PHENIX	2020-05-10	33564093	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	81.3	-		No	-		85.8	91.9	69.6		-
6wxd	2.00 Å	2020-05-20	X-ray	-	SARS-CoV-2	NSP9	No functional ligands	21.45%	25.34%	N/A		-	XDS	99.40%	26.4	Australian Synchrotron (MX2)	PHENIX	2020-05-10	32592996	-	-	-	-	N/A	-	-	Non-structural protein 9	11.9	-		No	-		32.2	18.2	43.8		-
6yun	1.44 Å	2020-05-20	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	14.79%	18.88%	3.40%		-	Aimless	98.40%	18.4	SLS (X06DA)	PHENIX	2020-04-27	33039147	-	-	-	-	N/A	-	-	Nucleoprotein	79.2	-		No	-		88.4	80.4	71.4		-
6yvf	1.60 Å	2020-05-20	X-ray	A82, CA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.69%	20.81%	7.30%	2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid; CALCIUM ION	2-[[(1R)-1-(7-methyl-2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-9-yl)ethyl]amino]benzoic acid; CALCIUM ION	XDS	95.20%	7.48	PETRA III, DESY (P11)	PHENIX	2020-04-28	33811162	CA	-	http://covid19.bioreproducibility.org/static/data/6yvf/6yvf_refined.pdb	http://covid19.bioreproducibility.org/static/data/6yvf/6yvf_refined.mtz	24.29%	Placed the coordinates in a standardized location in the unit cell.	The coordinates are NOT in a standardized location in the unit cell.	Replicase polyprotein 1ab	58.9	minimal	Yes	Yes	-		75.6	56.0	60.6		-
7c22	2.00 Å	2020-05-20	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	18.87%	23.82%	10.70%		-	XDS	95.60%	5.9	SSRF (BL19U1)	REFMAC	2020-05-07	35006385	-	-	-	-	N/A	-	-	Nucleoprotein	46.9	-		No	-		46.6	74.6	47.9		-
5rgt	2.22 Å	2020-05-27	X-ray	UHS	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.61%	27.14%	19.60%	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(5-tert-butyl-1,2-oxazol-3-yl)propanamide	XDS	99.80%	5.2	Diamond (I04-1)	REFMAC	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	57.2	-		No	-	-	18.7	78.5	91.7		-
5rgu	2.11 Å	2020-05-27	X-ray	UGD	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.81%	23.83%	13.90%	N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide	N-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide	XDS	99.70%	5.8	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	65.4	-		No	-	-	46.5	88.6	70.6		-
5rgv	1.82 Å	2020-05-27	X-ray	UGG	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.71%	23.19%	6.20%	2-(isoquinolin-4-yl)-N-phenylacetamide	2-(isoquinolin-4-yl)-N-phenylacetamide	XDS	99.70%	7.6	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	60.4	-		No	-	-	53.3	73.6	68.5		-
5rgw	1.43 Å	2020-05-27	X-ray	UGM	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.99%	20.33%	4.50%	2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide	2-(5-cyanopyridin-3-yl)-N-(pyridin-3-yl)acetamide	XDS	98.00%	8.4	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	76.4	-		No	-	-	79.4	64.3	88.1		-
5rgx	1.69 Å	2020-05-27	X-ray	UGP	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.24%	21.81%	8.70%	2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	98.20%	6.0	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	64.4	-		No	-	-	66.9	52.1	84.7		-
5rgy	1.98 Å	2020-05-27	X-ray	UGS	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.47%	24.61%	22.20%	N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide	N-(4-methoxypyridin-2-yl)-2-(naphthalen-2-yl)acetamide	XDS	99.40%	3.4	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	44.2	-		No	-	-	38.9	68.7	56.2		-
5rgz	1.52 Å	2020-05-27	X-ray	UH1	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.01%	20.90%	4.90%	2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide	2-(3-cyanophenyl)-N-(pyridin-3-yl)acetamide	XDS	96.90%	8.6	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	69.0	-		No	-	-	74.8	68.7	70.0		-
5rh0	1.92 Å	2020-05-27	X-ray	UH4	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.52%	24.05%	9.20%	N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea	N-(5-methylthiophen-2-yl)-N'-pyridin-3-ylurea	XDS	99.70%	7.1	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	47.3	-		No	-	-	44.4	64.3	61.1		-
5rh1	1.96 Å	2020-05-27	X-ray	UGV	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.40%	24.29%	15.60%	2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide	2-(5-chlorothiophen-2-yl)-N-(pyridin-3-yl)acetamide	XDS	99.70%	4.2	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	60.3	-		No	-	-	42.2	83.5	69.4		-
5rh2	1.83 Å	2020-05-27	X-ray	UH7	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.17%	23.02%	10.10%	2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	96.80%	8.7	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	58.0	-		No	-	-	54.8	68.7	67.2		-
5rh3	1.69 Å	2020-05-27	X-ray	UHA	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.76%	23.17%	9.10%	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide	XDS	99.30%	6.5	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	62.0	-		No	-	-	53.4	68.7	76.3		-
5rh4	1.34 Å	2020-05-27	X-ray	UHG	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.56%	20.49%	5.10%	(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid	(2R)-2-(6-chloro-9H-carbazol-2-yl)propanoic acid	XDS	93.70%	9.1	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	62.4	-		No	-	-	78.3	48.6	72.4		-
5rh5	1.72 Å	2020-05-27	X-ray	UHV	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.60%	22.29%	8.90%	N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	XDS	99.80%	8.3	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	64.4	-		No	-	-	62.4	64.3	76.9		-
5rh6	1.60 Å	2020-05-27	X-ray	UHY	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.43%	21.73%	7.70%	N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide	N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]-N-[6-(propan-2-yl)pyridin-3-yl]propanamide	XDS	99.50%	7.1	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	66.9	-		No	-	-	67.7	55.9	85.2		-
5rh7	1.71 Å	2020-05-27	X-ray	UJ1	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.50%	22.02%	10.30%	N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	XDS	98.90%	6.5	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	68.4	-		No	-	-	64.8	64.3	83.1		-
5rh8	1.81 Å	2020-05-27	X-ray	UHM	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.74%	22.05%	19.20%	2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide	2-(cyanomethoxy)-N-[(1,2-thiazol-4-yl)methyl]benzamide	XDS	99.40%	3.8	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	75.4	-		No	-	-	64.6	88.6	75.6		-
5rh9	1.91 Å	2020-05-27	X-ray	UJ4	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.23%	22.50%	21.00%	N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-{4-[(1S)-1-methoxyethyl]phenyl}-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	XDS	99.50%	4.0	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	64.2	-		No	-	-	60.1	78.5	64.5		-
5rha	1.51 Å	2020-05-27	X-ray	T8M	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.35%	20.95%	9.30%	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(thiophen-2-yl)methyl]piperazin-1-yl}ethan-1-one	XDS	95.20%	6.2	Diamond (I04-1)	BUSTER	2020-05-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	68.7	-		No	-	-	74.5	64.3	73.9		-
6lnq	2.24 Å	2020-05-27	X-ray	EJF	SARS-CoV	NSP5 (3CLpro)	Functional ligand	19.92%	23.91%	12.20%	N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide	N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-1H-indole-2-carboxamide	HKL-2000	99.90%	16.88	ROTATING ANODE ()	PHENIX	2020-01-01	32391184	-	-	-	-	N/A	-	-	Severe Acute Respiratory Syndrome Coronavirus 3c Like Protease	69.6	-		No	-		45.7	78.7	90.5		-
6lny	2.25 Å	2020-05-27	X-ray	EOC	SARS-CoV	NSP5 (3CLpro)	Functional ligand	20.41%	25.27%	9.00%	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide	HKL-2000	98.70%	21.68	ROTATING ANODE ()	PHENIX	2020-01-02	32391184	-	-	-	-	N/A	-	-	Replicase polyprotein 1a	46.1	-		No	-		32.9	64.4	70.3		-
6lo0	1.94 Å	2020-05-27	X-ray	EOF	SARS-CoV	NSP5 (3CLpro)	Functional ligand	22.73%	26.84%	10.60%	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide	HKL-2000	99.50%	19.21	ROTATING ANODE ()	PHENIX	2020-01-02	32391184	-	-	-	-	N/A	-	-	Replicase polyprotein 1a	50.6	-		No	-		20.6	68.9	86.8		-
6m15	2.38 Å	2020-05-27	Cryo-EM	NAG	RH BAT CoV HKU2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-02-24	32555182	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6m16	2.83 Å	2020-05-27	Cryo-EM	NAG	SADS-CoV	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-02-24	32555182	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6wps	3.10 Å	2020-05-27	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-04-27	32422645	-	-	-	-	N/A	-	-	spike glycoprotein - signaling sequence + ectodomain (UNP residues 14-1211) + foldon trimerization domain + TEV cleavage site + His-tag,signaling sequence + ectodomain (UNP residues 14-1211) + foldon trimerization domain + TEV cleavage site + His-tag; S309 neutralizing antibody heavy chain - Fab; S309 neutralizing antibody light chain - Fab	N/A	-		No	-		N/A	N/A	N/A		-
6wpt	3.70 Å	2020-05-27	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-04-27	32422645	-	-	-	-	N/A	-	-	spike glycoprotein - signaling sequence + ectodomain (UNP residues 14-1211) + foldon trimerization domain + TEV cleavage site + His-tag,signaling sequence + ectodomain (UNP residues 14-1211) + foldon trimerization domain + TEV cleavage site + His-tag; S309 neutralizing antibody heavy chain - Fab; S309 neutralizing antibody light chain - Fab	N/A	-		No	-		N/A	N/A	N/A		-
6wzo	1.42 Å	2020-05-27	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	15.73%	17.32%	N/A		-	XDS	91.10%	16.8	APS (24-ID-E)	PHENIX	2020-05-14	32654247	-	-	-	-	N/A	-	-	Nucleoprotein	86.0	-		No	-		94.3	88.1	90.4		-
6wzq	1.45 Å	2020-05-27	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	16.73%	18.02%	5.80%		-	XDS	98.80%	16.0	APS (24-ID-E)	PHENIX	2020-05-14	32654247	-	-	-	-	N/A	-	-	Nucleoprotein	67.3	-		No	-		92.1	36.7	81.0		-
6wzu	1.79 Å	2020-05-27	X-ray	PO4	SARS-CoV-2	NSP3: PLpro	No functional ligands	16.00%	17.41%	13.70%	PHOSPHATE ION	PHOSPHATE ION	HKL-3000	100.00%	6.6	APS (19-ID)	REFMAC	2020-05-14	33531496	ZN	-	-	-	N/A	-	-	Non-structural protein 3	66.5	-		No			94.1	32.3	81.7		-
6x1b	1.97 Å	2020-05-27	X-ray	PO4	SARS-CoV-2	NSP15	Functional ligand	15.66%	18.46%	15.50%	DNA (5'-R(GPU)-3'); PHOSPHATE ION	PHOSPHATE ION	HKL-3000	100.00%	16.0	APS (19-ID)	PHENIX	2020-05-18	33564093	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease; DNA (5'-R(GPU)-3')	83.1	-		No	-		90.4	85.6	79.3		-
6x29	2.70 Å	2020-05-27	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-05-20	32699321	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain (UNP residues 16-1208)	N/A	-		No	-		N/A	N/A	N/A		-
6x2a	3.30 Å	2020-05-27	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-05-20	32699321	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain (UNP residues 16-1208)	N/A	-		No	-		N/A	N/A	N/A		-
6x2b	3.60 Å	2020-05-27	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-05-20	32699321	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain (UNP residues 16-1208)	N/A	-		No	-		N/A	N/A	N/A		-
6x2c	3.20 Å	2020-05-27	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-05-20	32699321	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain (UNP residues 16-1208)	N/A	-		No	-		N/A	N/A	N/A		-
7bw4	3.70 Å	2020-05-27	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-04-13	32531208	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1ab; Replicase polyprotein 1ab; Replicase polyprotein 1ab	N/A	-		No	-		N/A	N/A	N/A		-
7c01	2.88 Å	2020-05-27	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	21.81%	26.51%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.90%	12.2	SSRF (BL17U1)	PHENIX	2020-04-29	32454512	-	-	-	-	N/A	-	-	SARS-Cov-2 Spike protein S1; CB6 heavy chain; CB6 light chain	9.9	-		No	-		22.8	31.3	33.8		-
7c2i	2.50 Å	2020-05-27	X-ray	SAM	SARS-CoV-2	NSP10/NSP16	Functional ligand	17.40%	20.88%	20.40%	S-ADENOSYLMETHIONINE	S-ADENOSYLMETHIONINE	HKL-2000	100.00%	10.67	SSRF (BL19U1)	PHENIX	2020-05-07	32728018	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1ab - nsp16; Replicase polyprotein 1ab - nsp10	64.3	-		No	-		75.1	39.9	88.5		-
7c2j	2.80 Å	2020-05-27	X-ray	SAM	SARS-CoV-2	NSP10/NSP16	Functional ligand	20.21%	23.49%	29.50%	S-ADENOSYLMETHIONINE	S-ADENOSYLMETHIONINE	HKL-2000	99.90%	6.67	SSRF (BL19U1)	PHENIX	2020-05-07	32728018	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1ab - nsp16; Replicase polyprotein 1ab - nsp10	50.7	-		No	-		50.2	46.2	80.0		-
6m1v	1.50 Å	2020-06-03	X-ray	-	SARS-CoV-2	Spike	No functional ligands	20.34%	21.20%	N/A		-	HKL-2000	100.00%	49.0	SSRF (BL17U1)	PHENIX	2020-02-26	32482145	-	-	-	-	N/A	-	-	spike protein	72.4	-		No	-		72.3	52.0	97.1		-
6m3w	3.90 Å	2020-06-03	Cryo-EM	NAG	SARS-CoV	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-03-04	32681106	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6x4i	1.85 Å	2020-06-03	X-ray	U3P, NA	SARS-CoV-2	NSP15	Functional ligand	16.58%	18.89%	14.60%	3'-URIDINEMONOPHOSPHATE; SODIUM ION	3'-URIDINEMONOPHOSPHATE; SODIUM ION	HKL-3000	100.00%	6.3	APS (19-ID)	PHENIX	2020-05-22	33564093	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	82.3	-		No			88.4	72.3	90.8		-
6yz5	1.80 Å	2020-06-03	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	16.58%	19.33%	10.90%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.00%	20.6	Diamond (I03)	REFMAC	2020-05-06	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Nanobody H11-D4	76.4	-		No	-	-	86.0	57.8	87.9		-
6yz7	3.30 Å	2020-06-03	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	23.77%	26.88%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.00%	4.9	Diamond (I03)	REFMAC	2020-05-06	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Antibody Cr3022; Antibody light chain; Nanobody	4.4	-		No	-	-	20.4	12.4	34.2		-
6z2m	2.71 Å	2020-06-03	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	19.83%	24.10%	23.10%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.00%	7.4	Diamond (I03)	PHENIX	2020-05-17	-	-	-	-	-	N/A	-	-	Spike glycoprotein; CR3022 antibody; CR3022 antibody; nanobody D4	27.7	-		No	-	-	43.8	52.0	35.3		-
6z43	3.30 Å	2020-06-03	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-05-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Nanobody	N/A	-		No	-	-	N/A	N/A	N/A		-
7bwj	2.85 Å	2020-06-03	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	21.91%	26.40%	15.40%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	14.3	SSRF (BL17U)	PHENIX	2020-04-14	32454513	-	-	-	-	N/A	-	-	SARS-CoV-2 receptor binding domain; antibody light chain; antibody heavy chain	29.2	-		No	-		23.6	72.3	38.2		-
7bzf	3.26 Å	2020-06-03	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12/RNA	Functional ligand	N/A	N/A	N/A	RNA (31-MER); RNA (5'-R(UPGPUPUPCPGPAPCPGPAPCPAPCPA)-3')	-		-	-	()	PHENIX	2020-04-27	32526208	ZN	-	-	-	N/A	-	-	RNA-directed RNA polymerase; Non-structural protein 8; Non-structural protein 7; RNA (31-MER); RNA (5'-R(UPGPUPUPCPGPAPCPGPAPCPAPCPA)-3')	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(UPGPUPUPCPGPAPCPGPAPCPAPCPA)-3'); RNA (31-MER)	-
7c2k	2.93 Å	2020-06-03	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12/RNA	Functional ligand	N/A	N/A	N/A	RNA (29-MER); RNA (5'-R(UPGPUPUPCPGPAPCPGPAPCPAPCPAPGPG(F86)PG)-3')	-		-	-	()	PHENIX	2020-05-07	32526208	ZN	-	-	-	N/A	-	-	RNA-directed RNA polymerase; Non-structural protein 8; Non-structural protein 7; RNA (29-MER); RNA (5'-R(UPGPUPUPCPGPAPCPGPAPCPAPCPAPGPG(F86)PG)-3')	N/A	-		No	-		N/A	N/A	N/A	RNA (29-MER); RNA (5'-R(UPGPUPUPCPGPAPCPGPAPCPAPCPAPGPG(F86)PG)-3')	-
5rhb	1.43 Å	2020-06-10	X-ray	USD	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.58%	20.69%	12.70%	(E)-1-(pyrimidin-2-yl)methanimine	(E)-1-(pyrimidin-2-yl)methanimine	XDS	97.10%	5.2	Diamond (I04-1)	BUSTER	2020-05-16	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	69.8	-		No	-		76.7	55.9	82.6		-
5rhc	1.58 Å	2020-06-10	X-ray	USA	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.11%	21.73%	9.80%	(E)-1-(1H-imidazol-2-yl)methanimine	(E)-1-(1H-imidazol-2-yl)methanimine	XDS	97.10%	6.2	Diamond (I04-1)	BUSTER	2020-05-16	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	64.4	-		No	-		67.7	55.9	80.0		-
5rhd	1.57 Å	2020-06-10	X-ray	US7	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.22%	20.59%	8.60%	1-[4-(methylsulfonyl)phenyl]piperazine	1-[4-(methylsulfonyl)phenyl]piperazine	XDS	99.50%	7.1	Diamond (I04-1)	BUSTER	2020-05-16	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	72.8	-		No	-		77.5	73.6	71.3		-
5rhe	1.56 Å	2020-06-10	X-ray	UPD	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.93%	21.56%	7.60%	1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide	1-acetyl-N-(6-methoxypyridin-3-yl)piperidine-4-carboxamide	XDS	98.40%	8.1	Diamond (I04-1)	BUSTER	2020-05-16	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	71.2	-		No	-		69.3	59.9	89.3		-
5rhf	1.76 Å	2020-06-10	X-ray	UPJ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.47%	22.77%	13.80%	1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide	1-acetyl-N-methyl-N-phenylpiperidine-4-carboxamide	XDS	99.40%	5.4	Diamond (I04-1)	BUSTER	2020-05-16	33028810	-	-	-	-	N/A	-	-	3C-like proteinase	67.6	-		No	-		57.5	78.5	74.5		-
6x6p	3.22 Å	2020-06-10	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2020-05-28	32587972	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7byr	3.84 Å	2020-06-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-04-24	32425270	-	-	-	-	N/A	-	-	SARS-CoV-2 Spike glycoprotein; Ab23-Fab-Heavy Chain; Ab23-Fab-Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
6m5i	2.50 Å	2020-06-17	X-ray	-	SARS-CoV-2	NSP7/NSP8	No functional ligands	20.80%	29.17%	N/A		-		99.70%	8.01	SSRF (BL17U)	PHENIX	2020-03-10	-	-	-	-	-	N/A	-	-	SARS-CoV-2 nsp8; SARS-CoV-2 nsp7	6.3	-		No	-	-	9.5	49.1	17.0		-
6xa4	1.65 Å	2020-06-17	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.82%	23.93%	6.50%	inhibitor UAW241	-	HKL-3000	98.20%	8.2	APS (19-ID)	REFMAC	2020-06-03	33158912	-	-	http://covid19.bioreproducibility.org/static/data/6xa4/6xa4_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xa4/6xa4_refined.mtz	24.80%	Achesymed, flipped His41 for proper H-bonding.	The coordinates are NOT in a standardized location in the unit cell.	main protease - UNP residues 3264-3569; inhibitor UAW241	56.2	minimal	Yes	Yes	-		45.5	60.2	81.4		-
6xa9	2.90 Å	2020-06-17	X-ray	-	SARS-CoV-2	NSP3: PLpro	No functional ligands	19.97%	23.05%	16.30%		-	XDS	100.00%	10.5	Australian Synchrotron (MX2)	PHENIX	2020-06-04	32845033	ZN	-	-	-	N/A	-	-	Papain-like protease - UNP residues 1563-1878; ISG15 CTD-propargylamide - C-terminal domain (UNP residues 79-157)	40.5	-		No	-		54.5	22.9	79.3		-
6xaa	2.70 Å	2020-06-17	X-ray	-	SARS-CoV-2	NSP3: PLpro	No functional ligands	20.96%	25.99%	15.20%		-	XDS	98.10%	6.8	Australian Synchrotron (MX2)	PHENIX	2020-06-04	32845033	ZN	-	http://covid19.bioreproducibility.org/static/data/6xaa/6xaa_refined_tls.pdb	http://covid19.bioreproducibility.org/static/data/6xaa/6xaa_refined.mtz	26.00%	Shifted the coordinates into the reference unit cell with ACHESYM. Added side-chains for residues: 23A, 25A, 30A, 43A, 47A, 53A, 60A, 65A, 70A, 143A, 218A, 24B. 291A - rotated. Added 18 water molecules	Many missing side-chains. Not in the standard position in the unit cell	Papain-like protease - UNP residues 1563-1878; Ubiquitin-propargylamide	18.6	moderate	Yes	Yes	-		26.8	20.3	64.3		-
6xb0	1.80 Å	2020-06-17	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	15.45%	20.10%	N/A		-	CrysalisPro	97.20%	10.2	ROTATING ANODE ()	PHENIX	2020-06-05	33063790	-	-	http://covid19.bioreproducibility.org/static/data/6xb0/6xb0_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xb0/6xb0_refined.mtz	20.25%	Reindexed from I2 to C2 (-h-l,k,h); transformed by ACHESYM; changed DMSO to HOH.	Non-standard space group, while standard C2 would make it compatible with many other structures of this protein.	3C-like proteinase	71.5	minimal	Yes	Yes	-		81.0	52.2	86.1		-
6xb1	1.80 Å	2020-06-17	X-ray	NEN	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.87%	20.19%	N/A	1-ETHYL-PYRROLIDINE-2,5-DIONE	1-ETHYL-PYRROLIDINE-2,5-DIONE	CrysalisPro	94.80%	10.0	ROTATING ANODE ()	PHENIX	2020-06-05	33063790	-	-	http://covid19.bioreproducibility.org/static/data/6xb1/6xb1_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xb1/6xb1_refined.mtz	21.02%	Reindexed from I2 to C2 (-h-l,k,h); transformed by ACHESYM; removed inhibitor NEN from Cys156.	Non-standard space group, while standard C2 would make it compatible with many other structures of this protein.	3C-like proteinase	72.6	significant	Yes	Yes	-		80.5	60.1	81.3		-
6xb2	2.10 Å	2020-06-17	X-ray	NEN	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.56%	25.72%	N/A	1-ETHYL-PYRROLIDINE-2,5-DIONE	1-ETHYL-PYRROLIDINE-2,5-DIONE	CrysalisPro	99.90%	11.3	ROTATING ANODE ()	PHENIX	2020-06-05	33063790	-	-	http://covid19.bioreproducibility.org/static/data/6xb2/6xb2_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xb2/6xb2_refined.mtz	28.23%	Reindexed from I2 to C2 (-h-l,k,h); transformed by ACHESYM; removed inhibitor NEN from Cys145 & Cys156; changed DMSO to HOH.	Non-standard space group, while standard C2 would make it compatible with many other structures of this protein.	3C-like proteinase	14.7	significant	Yes	Yes	-		28.9	26.6	46.5		-
6xbg	1.45 Å	2020-06-17	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.14%	20.57%	8.60%	inhibitor UAW246; SODIUM ION	SODIUM ION	HKL-3000	98.70%	9.5	APS (19-ID)	REFMAC	2020-06-05	33158912	-	-	http://covid19.bioreproducibility.org/static/data/6xbg/6xbg_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xbg/6xbg_refined.mtz	18.10%	Achesymed, used anisotropic ADPs.	The coordinates are NOT in a standardized location in the unit cell.	main protease - UNP residues 3264-3569; inhibitor UAW246	47.3	minimal	Yes	Yes	-		77.6	24.4	67.8		-
6xbh	1.60 Å	2020-06-17	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.35%	22.07%	6.80%	SODIUM ION; inhibitor UAW247	SODIUM ION	HKL-3000	95.10%	8.8	APS (19-ID)	REFMAC	2020-06-06	33158912	-	-	http://covid19.bioreproducibility.org/static/data/6xbh/6xbh_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xbh/6xbh_refined.mtz	20.70%	Achesymed. Na changed to HOH. Single orientation of glycerol. His41 flipped. TLS applied (6 TLS groups).	The coordinates are NOT in a standardized location in the unit cell.	main protease - UNP residues 3264-3569; inhibitor UAW247	67.6	minimal	Yes	Yes	-		64.5	68.7	77.2		-
6xbi	1.70 Å	2020-06-17	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.32%	21.66%	8.30%	inhibitor UAW248; SODIUM ION	SODIUM ION	HKL-3000	85.20%	23.99	APS (19-ID)	REFMAC	2020-06-06	33158912	-	-	http://covid19.bioreproducibility.org/static/data/6xbi/6xbi_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xbi/6xbi_refined.mtz	22.60%	Achesymed.	The coordinates are NOT in a standardized location in the unit cell.	main protease - UNP residues 3264-3569; inhibitor UAW248	73.8	minimal	Yes	Yes	-		68.4	83.7	72.8		-
6xch	2.20 Å	2020-06-17	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.70%	23.70%	N/A	Leupeptin	-	CrysalisPro	98.30%	6.3	ROTATING ANODE ()	PHENIX	2020-06-08	33152262	-	-	http://covid19.bioreproducibility.org/static/data/6xch/6xch_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xch/6xch_refined.mtz	24.03%	Reindexed from I2 to C2 (-h-l,k,h); transformed by ACHESYM.	Non-standard space group, while standard C2 would make it compatible with many other structures of this protein.	3C-like proteinase; Leupeptin	45.5	minimal	Yes	Yes	-		47.7	45.9	72.7		-
6xdc	2.90 Å	2020-06-17	Cryo-EM	-	SARS-CoV-2	ORF3a	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX; phenix.real_space_refine	2020-06-10	34158638	-	-	-	-	N/A	-	-	Protein 3a	N/A	-		No	-		N/A	N/A	N/A		-
6xdh	2.35 Å	2020-06-17	X-ray	FMT	SARS-CoV-2	NSP15	No functional ligands	15.72%	18.25%	7.70%	FORMIC ACID	FORMIC ACID	XDS	100.00%	22.57	APS (21-ID-F)	PHENIX	2020-06-10	-	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease - BewuA.18928.a.MX151	80.0	-		No		-	91.2	62.3	89.3		-
6z2e	1.70 Å	2020-06-17	X-ray	Q5T, NA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.20%	24.34%	7.40%	(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide; SODIUM ION	(4~{S})-4-[[(2~{S})-2-[[(2~{S})-2-[[(2~{S})-2-[3-[2-[2-[2-[2-[5-[(3~{a}~{S},4~{R},6~{a}~{R})-2-oxidanylidene-3,3~{a},4,6~{a}-tetrahydro-1~{H}-thieno[3,4-d]imidazol-4-yl]pentanoylamino]ethoxy]ethoxy]ethoxy]ethoxy]propanoylamino]butanoyl]amino]-3,3-dimethyl-butanoyl]amino]-4-methyl-pentanoyl]amino]-6-methylsulfonyl-hexanamide; SODIUM ION	XDS	100.00%	32.4	PETRA III, DESY (P11)	REFMAC	2020-05-15	-	-	-	http://covid19.bioreproducibility.org/static/data/6z2e/6z2e_refined.pdb	http://covid19.bioreproducibility.org/static/data/6z2e/6z2e_refined.mtz	25.50%	Achesymed. Na 404 removed. Cl 403 changed to HOH. Q5T from C42 removed. Inserted EDO at the end of the inhibitor.	The coordinates are NOT in a standardized location in the unit cell.	Main Protease	49.1	minimal	Yes	Yes	-	-	41.6	56.1	75.6		-
6z4u	1.95 Å	2020-06-17	X-ray	15P	SARS-CoV-2	ORF9B	No functional ligands	21.75%	25.67%	12.30%	POLYETHYLENE GLYCOL (N=34)	POLYETHYLENE GLYCOL (N=34)	DIALS	99.30%	8.5	NSLS-II (17-ID-2)	REFMAC	2020-05-25	-	-	-	-	-	N/A	-	-	Protein 9b	28.8	-		No	-	-	29.4	55.3	48.7		-
7bq7	2.37 Å	2020-06-17	X-ray	SAM	SARS-CoV-2	NSP10/NSP16	Protein-protein complex	17.98%	20.85%	N/A	S-ADENOSYLMETHIONINE	S-ADENOSYLMETHIONINE	HKL-3000	99.70%	18.8	SSRF (BL17U)	PHENIX	2020-03-24	-	ZN	-	-	-	N/A	-	-	SARS-CoV-2 nsp16; SARS-CoV-2 nsp10	46.4	-		No	-	-	75.3	48.2	44.6		-
7c8r	2.30 Å	2020-06-17	X-ray	TG3	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.02%	24.83%	N/A	ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate	ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate	HKL-3000	99.80%	22.9	NSRRC (TPS 05A)	REFMAC	2020-06-03	-	-	-	http://covid19.bioreproducibility.org/static/data/7c8r/7c8r_refined.pdb	http://covid19.bioreproducibility.org/static/data/7c8r/7c8r_refined.mtz	26.10%	Very minimal adjustments to bonds and angles of the inhibitor only.	Very minimal adjustments to bonds and angles of the inhibitor required.	3C-like proteinase	17.3	minimal	Yes	Yes	-	-	36.8	37.0	34.5		-
7c8t	2.05 Å	2020-06-17	X-ray	NOL	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.43%	23.34%	N/A	N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE	N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE	HKL-2000	99.90%	39.5	NSRRC (TPS 05A)	REFMAC	2020-06-03	-	-	-	http://covid19.bioreproducibility.org/static/data/7c8t/7c8t_refined.pdb	http://covid19.bioreproducibility.org/static/data/7c8t/7c8t_refined.mtz	25.20%	Achesymed, changed TLS to 6 groups.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	21.0	minimal	Yes	Yes	-	-	51.6	19.2	45.9		-
6xdg	3.90 Å	2020-06-24	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-06-10	32540901	-	-	-	-	N/A	-	-	Spike glycoprotein - receptor binding domain (UNP residues 319-541); REGN10933 antibody Fab fragment light chain; REGN10933 antibody Fab fragment heavy chain; REGN10987 antibody Fab fragment heavy chain; REGN10987 antibody Fab fragment light chain	N/A	-		No	-		N/A	N/A	N/A		-
6xfn	1.70 Å	2020-06-24	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.54%	22.82%	6.50%	UAW243	-	HKL-3000	98.90%	8.7	APS (19-ID)	REFMAC	2020-06-15	33158912	-	-	http://covid19.bioreproducibility.org/static/data/6xfn/6xfn_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xfn/6xfn_refined.mtz	23.33%	Achesymed and added TLS. The incorrect chirality of the P1’ norleucine of the inhibitor was corrected.	Incorrect chirality of the P1’ norleucine of the inhibitor. The coordinates are NOT in a standardized location in the unit cell.	main protease - UNP residues 3264-3569; UAW243	53.4	minimal	Yes	Yes	-		56.8	56.0	68.9		-
6xg3	2.48 Å	2020-06-24	X-ray	PO4	SARS-CoV-2	NSP3: PLpro	No functional ligands	15.13%	19.30%	16.70%	PHOSPHATE ION	PHOSPHATE ION	HKL-3000	100.00%	3.7	APS (19-ID)	REFMAC	2020-06-16	33531496	ZN	-	-	-	N/A	-	-	Peptidase C16	69.6	-		No			86.1	46.6	82.0		-
6zct	2.55 Å	2020-06-24	X-ray	-	SARS-CoV-2	NSP10	No functional ligands	18.95%	19.46%	11.40%		-	XDS	100.00%	11.42	MAX IV (BioMAX)	PHENIX	2020-06-12	33036230	ZN	-	-	-	N/A	-	-	nsp10	68.1	-		No	-		85.2	53.1	73.3		-
6zcz	2.65 Å	2020-06-24	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	21.46%	25.95%	20.90%		2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.20%	5.0	Diamond (I03)	PHENIX; PHENIX	2020-06-12	32737466	MG	-	-	-	N/A	-	-	Spike glycoprotein; Nanobody; EY6A heavy chain; EY6A light chain	23.7	-		No	-		27.0	30.8	64.8		-
6zer	3.80 Å	2020-06-24	X-ray	NAG, PO4	SARS-CoV-2	Spike	Protein-protein complex	21.19%	25.11%	22.70%	PHOSPHATE ION	2-acetamido-2-deoxy-beta-D-glucopyranose; PHOSPHATE ION	xia2	100.00%	7.3	Diamond (I03)	PHENIX	2020-06-16	32737466	-	-	-	-	N/A	-	-	RBD; heavy chain; light chain	13.0	-		No	-		34.1	14.7	48.4		-
7c8u	2.35 Å	2020-06-24	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	21.15%	27.28%	6.50%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	99.20%	9.7	CLSI (08ID-1)	REFMAC	2020-06-03	-	-	-	http://covid19.bioreproducibility.org/static/data/7c8u/7c8u_refined.pdb	http://covid19.bioreproducibility.org/static/data/7c8u/7c8u_refined.mtz	N/A	-	-	Replicase polyprotein 1ab	27.2	-		Yes	-	-	18.0	42.1	69.8		-
7c8v	2.15 Å	2020-06-24	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	18.36%	22.39%	16.30%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	10.2	SSRF (BL19U1)	PHENIX; PHENIX	2020-06-03	34330908	-	-	-	-	N/A	-	-	Synthetic nanobody SR4; Spike glycoprotein - Receptor binding domain (RBD)	68.1	-		No	-		61.4	79.2	71.0		-
7c8w	2.77 Å	2020-06-24	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	20.50%	26.68%	27.60%		-	XDS	100.00%	11.1	SSRF (BL19U1)	PHENIX; PHENIX	2020-06-03	34330908	-	-	-	-	N/A	-	-	Synthetic nanobody MR17; Spike glycoprotein - Receptor binding domain	16.9	-		No	-		21.8	41.1	44.4		-
7can	2.94 Å	2020-06-24	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	21.44%	26.71%	22.70%		-	XDS	99.90%	12.4	SSRF (BL19U1)	PHENIX	2020-06-09	34330908	-	-	-	-	N/A	-	-	sybody MR17-K99Y; Spike glycoprotein - Receptor-binding domain (RBD)	14.1	-		No	-		21.4	40.7	38.3		-
6xcm	3.42 Å	2020-07-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-08	32645326	-	-	-	-	N/A	-	-	Spike glycoprotein; C105 Fab Heavy Chain; C105 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
6xcn	3.66 Å	2020-07-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-08	32645326	-	-	-	-	N/A	-	-	Spike glycoprotein; C105 Fab Heavy Chain; C105 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
6xe1	2.75 Å	2020-07-01	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	21.16%	23.94%	3.07%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.93%	13.01	APS (19-ID)	PHENIX	2020-06-11	33110068	-	-	-	-	N/A	-	-	CV30 Fab Heavy chain; CV30 Fab Kappa chain; Spike protein S1 - receptor binding domain	36.5	-		No	-		45.4	33.5	70.1		-
6xhu	1.80 Å	2020-07-01	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.21%	24.64%	N/A		-	CrysalisPro	99.20%	0.026	ROTATING ANODE ()	PHENIX	2020-06-19	33063790	-	-	http://covid19.bioreproducibility.org/static/data/6xhu/6xhu_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xhu/6xhu_refined.mtz	24.70%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	46.6	minimal	Yes	Yes	-		38.7	44.2	85.6		-
6xip	1.50 Å	2020-07-01	X-ray	-	SARS-CoV-2	NSP7/NSP8	Protein-protein complex	16.07%	19.91%	5.80%		-	HKL-3000	97.70%	30.2	APS (19-ID)	PHENIX	2020-06-20	34197805	-	-	-	-	N/A	-	-	Non-structural protein 7; Non-structural protein 8	64.2	-		No	-		82.3	38.7	82.3		-
6z97	3.40 Å	2020-07-01	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-03	32585135	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
6zco	1.36 Å	2020-07-01	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	14.95%	19.62%	N/A		-	XDS	97.80%	20.2	SLS (X06DA)	REFMAC	2020-06-11	33039147	-	-	-	-	N/A	-	-	Nucleoprotein - Dimerization domain	64.0	-		No	-		84.2	26.9	91.7		-
6zdh	3.70 Å	2020-07-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-14	32737466	-	-	-	-	N/A	-	-	Spike glycoprotein; EY6A heavy chain; EY6A light chain	N/A	-		No	-		N/A	N/A	N/A		-
6zge	2.60 Å	2020-07-01	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-18	32647346	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zgf	3.10 Å	2020-07-01	Cryo-EM	NAG	Bat-CoV-RaTG13	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-06-18	32647346	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zgg	3.80 Å	2020-07-01	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-06-18	32647346	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zgh	6.80 Å	2020-07-01	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-06-18	32647346	-	-	-	-	N/A	-	-	Receptor-type tyrosine-protein phosphatase S,Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
6zgi	2.90 Å	2020-07-01	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-18	32647346	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7c2l	3.10 Å	2020-07-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-05-08	32571838	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain of 4A8; light chain of 4A8	N/A	-		No	-		N/A	N/A	N/A		-
6xc2	3.11 Å	2020-07-08	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	21.34%	26.74%	16.00%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	88.30%	7.4	SSRL (BL12-1)	PHENIX	2020-06-08	32661058	-	-	-	-	N/A	-	-	Spike protein S1; CC12.1 light chain; CC12.1 heavy chain	25.9	-		No	-		21.3	69.4	36.6		-
6xc3	2.70 Å	2020-07-08	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	17.73%	22.53%	16.70%		-	HKL-2000	99.90%	5.0	SSRL (BL12-1)	PHENIX	2020-06-08	32661058	-	-	-	-	N/A	-	-	CR3022 heavy chain; CR3022 light chain; CC12.1 light chain; CC12.1 heavy chain; Spike protein S1	63.1	-		No	-		59.9	84.3	56.9		-
6xc4	2.34 Å	2020-07-08	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	18.40%	21.92%	14.30%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.70%	10.2	SSRL (BL12-1)	PHENIX	2020-06-08	32661058	-	-	-	-	N/A	-	-	Spike protein S1; CC12.3 heavy chain; CC12.3 light chain	46.1	-		No	-		65.8	37.7	64.1		-
6xc7	2.88 Å	2020-07-08	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	21.89%	25.91%	12.90%		-	HKL-2000	99.90%	5.7	SSRL (BL12-1)	PHENIX	2020-06-08	32661058	-	-	-	-	N/A	-	-	Spike protein S1; CR3022 heavy chain; CR3022 light chain; CC12.3 heavy chain; CC12.3 light chain	28.7	-		No	-		27.2	65.0	40.9		-
6xhl	1.47 Å	2020-07-08	X-ray	V2M	SARS-CoV	NSP5 (3CLpro)	Functional ligand	20.35%	22.29%	4.70%	N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	autoPROC	74.20%	12.6	APS (17-ID)	BUSTER	2020-06-19	33054210	-	-	-	-	N/A	-	-	3C-like proteinase	43.4	-		No	-		62.4	34.6	65.5		-
6xhm	1.41 Å	2020-07-08	X-ray	V2M	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.08%	20.96%	4.70%	N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-({(2S)-4-hydroxy-3-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	autoPROC	75.00%	12.3	APS (17-ID)	BUSTER	2020-06-19	33054210	-	-	http://covid19.bioreproducibility.org/static/data/6xhm/6xhm_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xhm/6xhm_refined.mtz	19.20%	Added 2 residues at the C terminus of chain A and 15 waters. Fixed a number of fairly crazy problems with residue occupancies and modified residues A: 41, 106, 110, 125, 139, 222, B: 6, 22, 86, 108, 117, 121, 123, 125. Achesymed and refined with anisotropic B factors.	Missing residues at the C terminus, occupancy problems, coordinates not in standardized location.	3C-like proteinase	69.0	minimal	Yes	Yes	-		74.4	48.4	90.7		-
6xhn	1.38 Å	2020-07-08	X-ray	V3D	SARS-CoV	NSP5 (3CLpro)	Functional ligand	22.20%	24.67%	5.70%	(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate	(3S)-3-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-2-oxo-4-[(3S)-2-oxopyrrolidin-3-yl]butyl 2-cyanobenzoate	autoPROC	77.90%	11.6	APS (17-ID)	BUSTER	2020-06-19	33054210	-	-	-	-	N/A	-	-	3C-like proteinase	24.9	-		No	-		38.5	15.7	71.0		-
6xho	1.45 Å	2020-07-08	X-ray	V34	SARS-CoV	NSP5 (3CLpro)	Functional ligand	21.09%	23.87%	4.70%	ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	ethyl (2E,4S)-4-{[N-(4-methoxy-1H-indole-2-carbonyl)-L-leucyl]amino}-5-[(3S)-2-oxopyrrolidin-3-yl]pent-2-enoate	autoPROC	67.00%	11.5	APS (17-ID)	BUSTER	2020-06-19	33054210	-	-	-	-	N/A	-	-	3C-like proteinase	30.6	-		No	-		46.2	25.7	65.2		-
6xkf	1.80 Å	2020-07-08	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.98%	23.90%	8.90%		-	HKL-3000	96.50%	19.0	APS (19-ID)	PHENIX	2020-06-26	-	-	-	http://covid19.bioreproducibility.org/static/data/6xkf/6xkf_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xkf/6xkf_refined.mtz	24.50%	Placed the coordinates in a standardized location in the unit cell using ACHESYM. Added TLS.	Coordinates not in standardized location.	3C-like proteinase	56.8	minimal	Yes	Yes	-	-	45.7	76.2	66.2		-
6xkh	1.28 Å	2020-07-08	X-ray	FMT	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	15.63%	17.49%	5.90%	FORMIC ACID	FORMIC ACID	HKL-3000	98.60%	40.75	APS (19-ID)	PHENIX	2020-06-26	-	-	-	http://covid19.bioreproducibility.org/static/data/6xkh/6xkh_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xkh/6xkh_refined.mtz	17.20%	Placed the coordinates in a standardized location in the unit cell using ACHESYM. Deleted EDO401, EDO402. Substituted FMT403 > HOH740, FMT404 > HOH741, FMT405 > HOH742, FMT406 > HOH743, ACT407 > HOH744. Fixed rotamers: His41, Csd145. Added double conformation to Val86, Lys100, Val104, Gln110, Val125, Cys128, Phe134, Arg188, Asn238, Ser267, Glu288.	Coordinates not in standardized location, incorrect rotamers, missing doble conformations.	3C-like proteinase	60.3	moderate	Yes	Yes	-	-	93.9	22.9	78.4		-
6xkm	2.25 Å	2020-07-08	X-ray	SAM	SARS-CoV-2	NSP10/NSP16	Functional ligand	20.65%	21.26%	N/A	S-ADENOSYLMETHIONINE	S-ADENOSYLMETHIONINE	DIALS	100.00%	2.68	APS (19-ID)	REFMAC	2020-06-26	33972410	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	84.3	-		No	-		71.9	94.4	95.0		-
6xmk	1.70 Å	2020-07-08	X-ray	QYS, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.91%	21.16%	7.70%	(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	98.20%	8.6	APS (17-ID)	PHENIX	2020-06-30	32747425	-	-	http://covid19.bioreproducibility.org/static/data/6xmk/6xmk_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xmk/6xmk_refined.mtz	21.40%	Achesymed. Added Phe3 to chain A. Added side chains to residues 47, 49, 74 in chain A. Added side chains to residues 47, 49, 154 in chain B. Added 12 waters, deleted water A623 (now part of Tyr154). Put TLS groups as each chain+inhibitor.	Missing sidechains, non-standardized coordinates.	3C-like proteinase - Full Length	70.9	minimal	Yes	Yes	-		72.7	55.4	89.6		-
6zfo	4.40 Å	2020-07-08	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-17	32737466	-	-	-	-	N/A	-	-	Spike glycoprotein; EY6A heavy chain; EY6A light chain	N/A	-		No	-		N/A	N/A	N/A		-
6xkl	3.21 Å	2020-07-15	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-06-26	32703906	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6xoa	2.10 Å	2020-07-15	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.55%	25.09%	8.80%		-	HKL-3000	90.20%	17.4	APS (19-ID)	PHENIX	2020-07-06	-	-	-	-	-	N/A	-	-	3C-like proteinase	53.8	-		No	-	-	34.5	82.4	65.4		-
6xey	3.25 Å	2020-07-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-06-14	32698192	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; 2-4 Heavy Chain; 2-4 Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
6xqs	1.90 Å	2020-07-22	X-ray	SV6	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.10%	20.39%	N/A	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	CrysalisPro	97.30%	16.3	ROTATING ANODE ()	PHENIX	2020-07-10	33152262	-	-	http://covid19.bioreproducibility.org/static/data/6xqs/6xqs_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xqs/6xqs_refined.mtz	21.10%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	60.5	minimal	Yes	Yes	-		79.0	45.7	70.8		-
6xqt	2.30 Å	2020-07-22	X-ray	NNA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.54%	27.69%	N/A	(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropyla mino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropyla mino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	CrysalisPro	96.20%	5.6	ROTATING ANODE ()	PHENIX	2020-07-10	33152262	-	-	-	-	N/A	-	-	3C-like proteinase	13.8	-		No	-		15.7	22.0	61.8		-
6xqu	2.20 Å	2020-07-22	X-ray	U5G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.60%	23.38%	N/A	boceprevir (bound form)	boceprevir (bound form)	CrysalisPro	99.90%	9.2	ROTATING ANODE ()	PHENIX	2020-07-10	33152262	-	-	http://covid19.bioreproducibility.org/static/data/6xqu/6xqu_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xqu/6xqu_refined.mtz	24.76%	Reindexed from I2 to C2 (-h-l,k,h); transformed by ACHESYM.	Non-standard space group, while standard C2 would make it compatible with many other structures of this protein.	3C-like proteinase	45.3	minimal	Yes	Yes	-		51.3	42.8	72.0		-
6xr8	2.90 Å	2020-07-22	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-07-11	32694201	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6xra	3.00 Å	2020-07-22	Cryo-EM	NAG, MAN	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose		-	-	()	PHENIX	2020-07-11	32694201	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6xs6	3.70 Å	2020-07-22	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-07-15	32991842	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zoj	2.80 Å	2020-07-22	Cryo-EM	-	SARS-CoV-2	NSP1	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-07-07	32908316	MG; ZN	-	-	-	N/A	-	-	18S ribosomal RNA; 40S ribosomal protein S8; 40S ribosomal protein S9; 40S ribosomal protein S10; 40S ribosomal protein S11; 40S ribosomal protein S12; 40S ribosomal protein S13; 40S ribosomal protein S14; 40S ribosomal protein S15; 40S ribosomal protein S16; 40S ribosomal protein S17; 40S ribosomal protein SA; 40S ribosomal protein S18; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S21; 40S ribosomal protein S15a; 40S ribosomal protein S23; 40S ribosomal protein S24; 40S ribosomal protein S25; 40S ribosomal protein S26; 40S ribosomal protein S27; 40S ribosomal protein S3a; 40S ribosomal protein S28; 40S ribosomal protein S29; 40S ribosomal protein S30; Ribosomal protein S27a; Receptor of activated protein C kinase 1; Non-structural protein 1; 60S ribosomal protein L41; 40S ribosomal protein S2; 40S ribosomal protein S3; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S5; 40S ribosomal protein S6; 40S ribosomal protein S7	N/A	-		No	-		N/A	N/A	N/A		-
6zox	3.00 Å	2020-07-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-07-08	32737467	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zoy	3.10 Å	2020-07-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-07-08	32737467	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zoz	3.50 Å	2020-07-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-07-08	32737467	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zp0	3.00 Å	2020-07-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-07-08	32737467	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zp1	3.30 Å	2020-07-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-07-08	32737467	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zp2	3.10 Å	2020-07-22	Cryo-EM	NAG, EIC	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	LINOLEIC ACID	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID		-	-	()	PHENIX	2020-07-08	32737467	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6xez	3.50 Å	2020-07-29	Cryo-EM	1N7, AF3, ADP	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13/RNA	Protein-protein complex	N/A	N/A	N/A	CHAPSO; Product RNA; Template RNA; ADENOSINE-5'-DIPHOSPHATE; ALUMINUM FLUORIDE	CHAPSO; ALUMINUM FLUORIDE; ADENOSINE-5'-DIPHOSPHATE		-	-	()	PHENIX	2020-06-14	32783916	ZN; MG	-	-	-	N/A	-	-	nsp12 - UNP residues 4393-5324; nsp8 - UNP residues 3943-4140; nsp7 - UNP residues 3860-3942; nsp13 - UNP residues 5325-5925; Product RNA; Template RNA	N/A	-		No	-		N/A	N/A	N/A	Product RNA; Template RNA	-
6xm5	3.10 Å	2020-07-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-29	33271067	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6xqb	3.40 Å	2020-07-29	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(GPUPGPGPGPCPCPCP*A)-3')	-		-	-	()		2020-07-09	-	ZN; MG	-	-	-	N/A	-	-	RNA-directed RNA polymerase; Non-structural protein 8; Non-structural protein 7; RNA (5'-R(GPUPGPGPGPCPCPCP*A)-3')	N/A	-		No	-	-	N/A	N/A	N/A	RNA (5'-R(GPUPGPGPGPCPCPCP*A)-3')	-
6zbp	1.85 Å	2020-07-29	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	18.50%	21.69%	8.60%		2-acetamido-2-deoxy-beta-D-glucopyranose	XSCALE	99.50%	18.2	Diamond (I03)	REFMAC	2020-06-08	-	-	-	-	-	N/A	-	-	Spike glycoprotein; H11-H4	80.6	-		No	-	-	68.2	89.2	87.6		-
6zdg	4.70 Å	2020-07-29	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-14	32737466	-	-	-	-	N/A	-	-	Spike glycoprotein; EY6A heavy chain; EY6A light chain	N/A	-		No	-		N/A	N/A	N/A		-
6zhd	3.70 Å	2020-07-29	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	28.49%	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	REFMAC	2020-06-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin; Nanobody H11-H4	N/A	-		No	-	-	N/A	N/A	N/A		-
6zlw	2.60 Å	2020-07-29	Cryo-EM	-	SARS-CoV-2	NSP1	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-07-01	32680882	ZN	-	-	-	N/A	-	-	40S ribosomal protein SA; 40S ribosomal protein S5; 40S ribosomal protein S11; 40S ribosomal protein S10; 40S ribosomal protein S13; 40S ribosomal protein S12; 40S ribosomal protein S14; 40S ribosomal protein S15; 40S ribosomal protein S16; 40S ribosomal protein S17; 40S ribosomal protein S18; 40S ribosomal protein S3a; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S15a; 40S ribosomal protein S23; 40S ribosomal protein S24; 40S ribosomal protein S21; 40S ribosomal protein S25; 40S ribosomal protein S27; 40S ribosomal protein S26; 40S ribosomal protein S28; 40S ribosomal protein S2; 40S ribosomal protein S30; 40S ribosomal protein S29; Ubiquitin-40S ribosomal protein S27a; 60S ribosomal protein L41; Receptor of activated protein C kinase 1; 18S ribosomal RNA; Non-structural protein 1; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S3; 40S ribosomal protein S6; 40S ribosomal protein S7; 40S ribosomal protein S8; 40S ribosomal protein S9	N/A	-		No	-		N/A	N/A	N/A		-
6zm7	2.70 Å	2020-07-29	Cryo-EM	-	SARS-CoV-2	NSP1	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-07-01	32680882	ZN; MG	-	-	-	N/A	-	-	28S ribosomal RNA; 60S ribosomal protein L7a; 60S ribosomal protein L9; 60S ribosomal protein L10-like; 60S ribosomal protein L11; 60S ribosomal protein L13; 60S ribosomal protein L14; 60S ribosomal protein L15; 60S ribosomal protein L13a; 60S ribosomal protein L17; 60S ribosomal protein L18; 5S ribosomal RNA; 60S ribosomal protein L19; 60S ribosomal protein L18a; 60S ribosomal protein L21; 60S ribosomal protein L22; 60S ribosomal protein L23; 60S ribosomal protein L24; 60S ribosomal protein L23a; 60S ribosomal protein L26; 60S ribosomal protein L27; 60S ribosomal protein L27a; 5.8S ribosomal RNA; 60S ribosomal protein L29; 60S ribosomal protein L30; 60S ribosomal protein L31; 60S ribosomal protein L32; 60S ribosomal protein L35a; 60S ribosomal protein L34; 60S ribosomal protein L35; 60S ribosomal protein L36; 60S ribosomal protein L37; 60S ribosomal protein L38; 60S ribosomal protein L8; 60S ribosomal protein L39; Ubiquitin-60S ribosomal protein L40; 60S ribosomal protein L41; 60S ribosomal protein L36a; 60S ribosomal protein L37a; 60S ribosomal protein L28; 60S acidic ribosomal protein P0; 60S ribosomal protein L12; 60S ribosomal protein L10a; 18S ribosomal RNA; 60S ribosomal protein L3; 40S ribosomal protein SA; 40S ribosomal protein S3a; 40S ribosomal protein S3; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S5; 40S ribosomal protein S7; 40S ribosomal protein S8; 40S ribosomal protein S10; 40S ribosomal protein S11; 40S ribosomal protein S15; 60S ribosomal protein L4; 40S ribosomal protein S16; 40S ribosomal protein S17; 40S ribosomal protein S18; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S21; 40S ribosomal protein S23; 40S ribosomal protein S26; 40S ribosomal protein S28; 40S ribosomal protein S29; 60S ribosomal protein L5; Receptor of activated protein C kinase 1; 40S ribosomal protein S2; 40S ribosomal protein S6; 40S ribosomal protein S9; 40S ribosomal protein S12; 40S ribosomal protein S13; 40S ribosomal protein S14; 40S ribosomal protein S15a; 40S ribosomal protein S24; 40S ribosomal protein S25; 60S ribosomal protein L6; 40S ribosomal protein S27; 40S ribosomal protein S30; Ubiquitin-40S ribosomal protein S27a; Proliferation-associated protein 2G4; tRNA; Coiled-coil domain-containing protein 124; Non-structural protein 1; 60S ribosomal protein L7	N/A	-		No	-		N/A	N/A	N/A		-
6zn5	3.20 Å	2020-07-29	Cryo-EM	-	SARS-CoV-2	NSP1	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-07-06	32680882	ZN	-	-	-	N/A	-	-	40S ribosomal protein SA; 40S ribosomal protein S5; 40S ribosomal protein S11; 40S ribosomal protein S10; 40S ribosomal protein S13; 40S ribosomal protein S12; 40S ribosomal protein S14; 40S ribosomal protein S15; 40S ribosomal protein S16; 40S ribosomal protein S17; 40S ribosomal protein S18; 40S ribosomal protein S3a; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S15a; 40S ribosomal protein S23; 40S ribosomal protein S24; 40S ribosomal protein S21; 40S ribosomal protein S25; 40S ribosomal protein S27; 40S ribosomal protein S26; 40S ribosomal protein S28; 40S ribosomal protein S2; 40S ribosomal protein S30; 40S ribosomal protein S29; Ribosomal protein S27a; Receptor of activated protein C kinase 1; 18S ribosomal RNA; Non-structural protein 1; Pre-rRNA-processing protein TSR1 homolog; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S3; 40S ribosomal protein S6; 40S ribosomal protein S7; 40S ribosomal protein S8; 40S ribosomal protein S9	N/A	-		No	-		N/A	N/A	N/A		-
6zok	2.80 Å	2020-07-29	Cryo-EM	-	SARS-CoV-2	NSP1	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-07-07	32908316	ZN; MG	-	-	-	N/A	-	-	18S ribosomal RNA; 40S ribosomal protein S11; 40S ribosomal protein S13; 40S ribosomal protein S14; 40S ribosomal protein S17; 40S ribosomal protein S21; 40S ribosomal protein S15a; 40S ribosomal protein S23; 40S ribosomal protein S24; 40S ribosomal protein S26; 40S ribosomal protein S27; 40S ribosomal protein SA; 40S ribosomal protein S30; Non-structural protein 1; 60S ribosomal protein L41; 40S ribosomal protein S3a; 40S ribosomal protein S2; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S6; 40S ribosomal protein S7; 40S ribosomal protein S8; 40S ribosomal protein S9	N/A	-		No	-		N/A	N/A	N/A		-
6zon	3.00 Å	2020-07-29	Cryo-EM	-	SARS-CoV-2	NSP1	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-07-07	32680882	ZN	-	-	-	N/A	-	-	40S ribosomal protein SA; 40S ribosomal protein S9; 40S ribosomal protein S11; 40S ribosomal protein S13; 40S ribosomal protein S14; 40S ribosomal protein S21; 40S ribosomal protein S15a; 40S ribosomal protein S23; 40S ribosomal protein S24; 40S ribosomal protein S27; 40S ribosomal protein S30; 40S ribosomal protein S3a; 18S ribosomal RNA; 40S ribosomal protein S17; 40S ribosomal protein S16; 40S ribosomal protein S3; 40S ribosomal protein S5; 40S ribosomal protein S10; 40S ribosomal protein S12; 40S ribosomal protein S15; 40S ribosomal protein S18; 40S ribosomal protein S19; 40S ribosomal protein S2; 40S ribosomal protein S20; 40S ribosomal protein S25; 40S ribosomal protein S28; 40S ribosomal protein S29; Ubiquitin-40S ribosomal protein S27a; Receptor of activated protein C kinase 1; Eukaryotic translation initiation factor 3 subunit I; Eukaryotic translation initiation factor 3 subunit B; Eukaryotic translation initiation factor 3 subunit A,Eukaryotic translation initiation factor 3 subunit A; Eukaryotic translation initiation factor 3 subunit C; 40S ribosomal protein S26; Eukaryotic translation initiation factor 3 subunit E; Eukaryotic translation initiation factor 3 subunit F; Eukaryotic translation initiation factor 3 subunit H; Eukaryotic translation initiation factor 3 subunit K; Eukaryotic translation initiation factor 3 subunit L; Eukaryotic translation initiation factor 3 subunit M; Eukaryotic translation initiation factor 3 subunit D; Unknown factor; Host translation inhibitor Nsp1; 40S ribosomal protein S4, X isoform; 60S ribosomal protein L41; 40S ribosomal protein S6; 40S ribosomal protein S7; 40S ribosomal protein S8	N/A	-		No	-		N/A	N/A	N/A		-
6zow	3.00 Å	2020-07-29	Cryo-EM	NAG, MAN	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose		-	-	()		2020-07-07	33063791	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zp4	2.90 Å	2020-07-29	Cryo-EM	GTP	SARS-CoV-2	NSP1	Protein-protein complex	N/A	N/A	N/A	GUANOSINE-5'-TRIPHOSPHATE	GUANOSINE-5'-TRIPHOSPHATE		-	-	()		2020-07-08	32680882	MG; ZN	-	-	-	N/A	-	-	40S ribosomal protein SA; 40S ribosomal protein S9; 40S ribosomal protein S11; 40S ribosomal protein S13; 40S ribosomal protein S21; 40S ribosomal protein S15a; 40S ribosomal protein S24; 40S ribosomal protein S27; 40S ribosomal protein S30; 18S ribosomal RNA; 40S ribosomal protein S17; 40S ribosomal protein S3a; 40S ribosomal protein S3; 40S ribosomal protein S5; 40S ribosomal protein S10; 40S ribosomal protein S12; 40S ribosomal protein S15; 40S ribosomal protein S16; 40S ribosomal protein S18; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S25; 40S ribosomal protein S2; 40S ribosomal protein S28; 40S ribosomal protein S29; Ubiquitin-40S ribosomal protein S27a; Receptor of activated protein C kinase 1; 40S ribosomal protein S14; 40S ribosomal protein S23; Eukaryotic translation initiation factor 1A, X-chromosomal; Eukaryotic translation initiation factor 3 subunit I; Eukaryotic translation initiation factor 3 subunit B; Eukaryotic translation initiation factor 3 subunit A; 40S ribosomal protein S26; Eukaryotic translation initiation factor 3 subunit C; Eukaryotic translation initiation factor 3 subunit E; Eukaryotic translation initiation factor 3 subunit F; Eukaryotic translation initiation factor 3 subunit H; Eukaryotic translation initiation factor 3 subunit K; Eukaryotic translation initiation factor 3 subunit L; Eukaryotic translation initiation factor 3 subunit M; Eukaryotic translation initiation factor 3 subunit D; Unknown factor; tRNA; 40S ribosomal protein S4, X isoform; Eukaryotic translation initiation factor 2 subunit 2; Eukaryotic translation initiation factor 2 subunit 1; Eukaryotic translation initiation factor 2 subunit 3; Eukaryotic translation initiation factor 1; Non-structural protein 1; 60S ribosomal protein L41; 40S ribosomal protein S6; 40S ribosomal protein S7; 40S ribosomal protein S8	N/A	-		No	-		N/A	N/A	N/A		-
6zp5	3.10 Å	2020-07-29	Cryo-EM	NAG, MAN	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose		-	-	()		2020-07-08	33063791	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zp7	3.30 Å	2020-07-29	Cryo-EM	NAG, MAN	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose		-	-	()		2020-07-08	33063791	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zsl	1.94 Å	2020-07-29	X-ray	PO4	SARS-CoV-2	NSP13	No functional ligands	20.94%	25.31%	5.30%	PHOSPHATE ION	PHOSPHATE ION	XDS	97.30%	11.1	Diamond (I04-1)	PHENIX	2020-07-15	34381037	ZN	-	-	-	N/A	-	-	SARS-CoV-2 helicase NSP13	20.2	-		No	-		32.4	26.0	56.5		-
7c7p	1.74 Å	2020-07-29	X-ray	SV6, FK3	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.42%	21.59%	9.80%	(3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide; (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide; (3~{S},3~{a}~{S},6~{a}~{R})-~{N}-[(2~{R},3~{S})-1-(cyclopropylamino)-2-oxidanyl-1-oxidanylidene-hexan-3-yl]-2-methanoyl-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide	XDS	99.90%	22.8	SSRF (BL19U1)	REFMAC	2020-05-26	33602867	-	-	http://covid19.bioreproducibility.org/static/data/7c7p/7c7p_hkl_refine_23_tls.pdb	http://covid19.bioreproducibility.org/static/data/7c7p/7c7p_hkl_refine_23_coot.mtz	19.30%	Standardized with Achesym server; added TLS groups; added missing waters; chaned coformation of the ligand in chain B and changed its occupancy to 0.6; changed rotamers for A5 A47 A48 A50 B58 B60 B67 A67 B76 A82 A86 A/B87 B82 A90 A100 B110 A/B154 A155 B188 A216 A222 B262 B269 B268 B298 A196 B100	Not in the standard position in the unit cell, flipped sidechains, incorrect rotamers, missing waters	main protease	36.3	moderate	Yes	Yes	-		69.1	32.6	47.1		http://covid19.bioreproducibility.org/static/data/7c7p/7c7p_hkl_refine_23_7C7P_crystal1_report.pdf
7jfq	1.55 Å	2020-07-29	X-ray	FMT	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.91%	19.81%	9.90%	FORMIC ACID	FORMIC ACID	HKL-3000	99.20%	21.8	APS (19-ID)	PHENIX	2020-07-17	-	-	-	http://covid19.bioreproducibility.org/static/data/7jfq/7jfq_refined.pdb	http://covid19.bioreproducibility.org/static/data/7jfq/7jfq_refined.mtz	19.70%	Placed the coordinates in a standardized location in the unit cell using ACHESYM. Added TLS.	Coordinates not in standardized location.	3C-like proteinase	61.5	minimal	Yes	Yes	-	-	82.9	39.9	74.7		-
6wc1	2.40 Å	2020-08-05	X-ray	-	SARS-CoV-2	NSP9	No functional ligands	23.20%	27.80%	N/A		-	MOSFLM	94.80%	23.4	ROTATING ANODE ()	PHENIX	2020-03-28	-	-	-	http://covid19.bioreproducibility.org/static/data/6wc1/6wc1_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/6wc1/6wc1_rerefined.mtz	26.74%	Standardized with Achesym server; added TLS groups; added missing waters; THR34-ARG39 remodelling; flipped ASN98 A sidechain; changed rotamers for VAL110, THR24 A, LYS92 B, LYS52 A, ARG74 A, THR79 B, THR64 A, ILE92 A, LEU106 A, LEU112 A, ASP60 A and B THR34 A. There seems to be something bigger next to ARG 39 A, but the density is too small to fir CIT, modeled 3 waters.	Not in the standard position in the unit cell, flipped sidechains, incorrect rotamers, missing waters	SARS-coV-2 Non-structural protein 9	8.4	moderate	Yes	Yes	-	-	15.0	23.8	44.3		-
6wco	1.48 Å	2020-08-05	X-ray	MES, X47	SARS CoV Urbani	NSP5 (3CLpro)	Functional ligand	16.89%	19.44%	N/A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclopentylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide	HKL-2000	99.60%	39.6	APS (21-ID-G)	PHENIX	2020-03-30	-	-	-	-	-	N/A	-	-	Main protease	54.2	-		No	-	-	85.3	45.7	52.2		-
6zwv	3.50 Å	2020-08-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-07-28	32805734	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jir	2.09 Å	2020-08-05	X-ray	TTT, MES	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.58%	19.98%	14.50%	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-3000	99.80%	7.4	APS (19-ID)	REFMAC	2020-07-23	33531496	ZN	-	-	-	N/A	-	-	Papain-like protease	57.3	-		No			81.9	23.6	83.6		-
7jit	1.95 Å	2020-08-05	X-ray	Y95, MES	SARS-CoV-2	NSP3: PLpro	Functional ligand	17.49%	19.02%	9.70%	5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	5-[(carbamoylcarbamoyl)amino]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-3000	99.50%	5.9	APS (19-ID)	REFMAC	2020-07-23	33531496	ZN	-	-	-	N/A	-	-	Papain-like protease	65.9	-		No			87.6	30.4	88.8		-
7jiv	2.05 Å	2020-08-05	X-ray	VBY, MES	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.78%	20.09%	10.10%	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; 5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide	5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-3000	99.90%	6.0	APS (19-ID)	REFMAC	2020-07-23	33531496	ZN	-	-	-	N/A	-	-	Papain-like protease	38.9	-		No			81.2	12.8	59.9		-
7jiw	2.30 Å	2020-08-05	X-ray	VBY, MES	SARS-CoV-2	NSP3: PLpro	Functional ligand	21.21%	23.95%	9.50%	5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	5-(acryloylamino)-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-3000	99.90%	6.3	APS (19-ID)	REFMAC	2020-07-23	33531496	ZN	-	-	-	N/A	-	-	Papain-Like Protease	37.8	-		No			45.4	25.2	81.1		-
6vgy	2.05 Å	2020-08-12	X-ray	QZJ	MERS-CoV	NSP5 (3CLpro)	Functional ligand	19.18%	23.89%	8.20%	N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-{[(trans-4-ethylcyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	98.90%	12.2	APS (17-ID)	PHENIX	2020-01-09	32747425	-	-	-	-	N/A	-	-	Orf1a protein	61.4	-		No	-		46.1	78.2	72.9		-
6vgz	2.25 Å	2020-08-12	X-ray	QZG	MERS-CoV	NSP5 (3CLpro)	Functional ligand	18.65%	24.79%	12.70%	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[trans-4-(propan-2-yl)cyclohexyl]oxy}carbonyl)-L-leucinamide	XDS	99.90%	9.8	APS (17-ID)	PHENIX	2020-01-09	32747425	-	-	-	-	N/A	-	-	Orf1a protein	57.0	-		No	-		37.4	75.5	75.6		-
6vh0	1.95 Å	2020-08-12	X-ray	QZD	MERS-CoV	NSP5 (3CLpro)	Functional ligand	19.51%	24.04%	9.80%	N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-{[(5-ethyl-1,3-dioxan-5-yl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	100.00%	10.3	APS (17-ID)	PHENIX	2020-01-09	32747425	-	-	-	-	N/A	-	-	Orf1a protein	61.0	-		No	-		44.5	68.1	83.8		-
6vh1	2.30 Å	2020-08-12	X-ray	QZ7	MERS-CoV	NSP5 (3CLpro)	Functional ligand	19.17%	25.34%	6.20%	N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-{[(4,4-difluorocyclohexyl)oxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	100.00%	17.8	APS (17-ID)	PHENIX	2020-01-09	32747425	-	-	-	-	N/A	-	-	Orf1a protein	-	-		No	-		32.2	-	-		-
6vh2	2.26 Å	2020-08-12	X-ray	QZ4	MERS-CoV	NSP5 (3CLpro)	Functional ligand	18.35%	24.81%	12.80%	4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate	4,4-difluorocyclohexyl [(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate	XDS	99.60%	10.3	APS (17-ID)	PHENIX	2020-01-09	32747425	-	-	-	-	N/A	-	-	Orf1a protein	58.4	-		No	-		37.0	70.8	83.6		-
6vh3	2.20 Å	2020-08-12	X-ray	QYS	MERS-CoV	NSP5 (3CLpro)	Functional ligand	18.30%	24.53%	14.10%	(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	100.00%	9.3	APS (17-ID)	PHENIX	2020-01-09	32747425	-	-	-	-	N/A	-	-	Orf1a protein	52.5	-		No	-		39.8	75.9	64.2		-
6w2a	1.65 Å	2020-08-12	X-ray	VDJ, QYS	SARS-CoV	NSP5 (3CLpro)	Functional ligand	17.20%	20.30%	6.90%	[4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	[4,4-bis(fluoranyl)cyclohexyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; (1S,2S)-2-[(N-{[(4,4-difluorocyclohexyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	99.90%	12.6	APS (17-ID)	PHENIX	2020-03-05	32747425	-	-	-	-	N/A	-	-	Replicase polyprotein 1a	80.3	-		No	-		79.6	83.5	80.7		-
6xlu	2.40 Å	2020-08-12	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-29	33271067	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6xm0	2.70 Å	2020-08-12	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-29	33271067	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6xm3	2.90 Å	2020-08-12	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-29	33271067	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6xm4	2.90 Å	2020-08-12	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-29	33271067	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zme	3.00 Å	2020-08-12	Cryo-EM	SF4, ADP	SARS-CoV-2	NSP1	No functional ligands	N/A	N/A	N/A	IRON/SULFUR CLUSTER; ADENOSINE-5'-DIPHOSPHATE	IRON/SULFUR CLUSTER; ADENOSINE-5'-DIPHOSPHATE		-	-	()		2020-07-02	32680882	ZN; MG	-	-	-	N/A	-	-	28S ribosomal RNA; 60S ribosomal protein L7a; 60S ribosomal protein L9; 60S ribosomal protein L10-like; 60S ribosomal protein L11; 60S ribosomal protein L13; 60S ribosomal protein L14; 60S ribosomal protein L15; 60S ribosomal protein L13a; 60S ribosomal protein L17; 60S ribosomal protein L18; 5S ribosomal RNA; 60S ribosomal protein L19; 60S ribosomal protein L18a; 60S ribosomal protein L21; 60S ribosomal protein L22; 60S ribosomal protein L23; 60S ribosomal protein L24; 60S ribosomal protein L23a; 60S ribosomal protein L26; 60S ribosomal protein L27; 60S ribosomal protein L27a; 5.8S ribosomal RNA; 60S ribosomal protein L29; 60S ribosomal protein L30; 60S ribosomal protein L31; 60S ribosomal protein L32; 60S ribosomal protein L35a; 60S ribosomal protein L34; 60S ribosomal protein L35; 60S ribosomal protein L36; 60S ribosomal protein L37; 60S ribosomal protein L38; 60S ribosomal protein L8; 60S ribosomal protein L39; Ubiquitin-60S ribosomal protein L40; 60S ribosomal protein L41; 60S ribosomal protein L36a; 60S ribosomal protein L37a; 60S ribosomal protein L28; 60S acidic ribosomal protein P0; 60S ribosomal protein L12; 60S ribosomal protein L10a; 18S ribosomal RNA; 60S ribosomal protein L3; 40S ribosomal protein SA; 40S ribosomal protein S3a; 40S ribosomal protein S3; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S5; 40S ribosomal protein S7; 40S ribosomal protein S8; 40S ribosomal protein S10; 40S ribosomal protein S11; 40S ribosomal protein S15; 60S ribosomal protein L4; 40S ribosomal protein S16; 40S ribosomal protein S17; 40S ribosomal protein S18; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S21; 40S ribosomal protein S23; 40S ribosomal protein S26; 40S ribosomal protein S28; 40S ribosomal protein S29; 60S ribosomal protein L5; Receptor of activated protein C kinase 1; 40S ribosomal protein S2; 40S ribosomal protein S6; 40S ribosomal protein S9; 40S ribosomal protein S12; 40S ribosomal protein S13; 40S ribosomal protein S14; 40S ribosomal protein S15a; 40S ribosomal protein S24; 40S ribosomal protein S25; 60S ribosomal protein L6; 40S ribosomal protein S27; 40S ribosomal protein S30; Ubiquitin-40S ribosomal protein S27a; Proliferation-associated protein 2G4; tRNA; Coiled-coil domain-containing protein 124; Non-structural protein 1; ATP-binding cassette sub-family E member 1; Eukaryotic peptide chain release factor subunit 1; 60S ribosomal protein L7	N/A	-		No	-		N/A	N/A	N/A		-
6zrt	2.10 Å	2020-08-12	X-ray	SV6	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.88%	23.66%	5.00%	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	XDS	99.30%	22.1	PETRA III, DESY (P11)	REFMAC	2020-07-14	34041486	-	-	http://covid19.bioreproducibility.org/static/data/6zrt/6zrt_refmac.pdb	http://covid19.bioreproducibility.org/static/data/6zrt/6zrt_refmac.mtz	23.60%	Standardized with Achesym server and added TLS groups	Well refined structure with a clearly defined ligand electon density	Main Protease	57.1	minimal	Yes	Yes	-		48.3	64.3	76.1		-
6zru	2.10 Å	2020-08-12	X-ray	U5G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.76%	21.54%	4.00%	boceprevir (bound form)	boceprevir (bound form)	XDS	100.00%	23.9	PETRA III, DESY (P11)	REFMAC	2020-07-14	34041486	-	-	http://covid19.bioreproducibility.org/static/data/6zru/6zru_refined.pdb	http://covid19.bioreproducibility.org/static/data/6zru/6zru_refined.mtz	23.67%	Standardized with Achesym server, changed space group to C2.	Well refined structure with a clearly defined ligand electon density	Main Protease	63.5	minimal	Yes	Yes	-		69.4	59.9	72.4		-
7cah	3.90 Å	2020-08-12	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-06-08	32703908	-	-	-	-	N/A	-	-	Light chain of H014 Fab; Heavy chain of H014 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jn2	1.93 Å	2020-08-12	X-ray	Y41, UNX	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.58%	20.89%	11.50%	3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; UNKNOWN ATOM OR ION	3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; UNKNOWN ATOM OR ION	HKL-3000	99.80%	7.1	APS (19-ID)	REFMAC	2020-08-03	-	ZN	-	http://covid19.bioreproducibility.org/static/data/7jn2/7jn2_rerefinement.pdb	http://covid19.bioreproducibility.org/static/data/7jn2/7jn2_rerefinement.mtz	19.77%	Standardized with Achesym server; added TLS groups; added many missing water molecules; added VAL2, ARG3; changed rotamer for HIS17; changed UNK to waters next to HIS255; added alternative conformation for HIS272; added partially occupied MES next to TRP106, split TRP106 to alternative conformation.	Not in the standard position in the unit cell, incorrect rotamers, missing waters, missing residues	Papain-Like Protease	46.6	moderate	Yes	Yes		-	75.1	15.2	78.2		-
6x79	2.90 Å	2020-08-19	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-05-29	32753755	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein - ectodomain(UNP residues 14-1211)	N/A	-		No	-		N/A	N/A	N/A		-
6xr3	1.45 Å	2020-08-19	X-ray	V7G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	14.34%	18.74%	6.28%	N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	HKL-2000	94.00%	19.17	APS (21-ID-F)	PHENIX	2020-07-10	-	-	-	http://covid19.bioreproducibility.org/static/data/6xr3/6xr3_refined.pdb	http://covid19.bioreproducibility.org/static/data/6xr3/6xr3_refined.mtz	18.40%	Achesymed. Deleted residues 46-48 (no density). Adjusted residues: 86, 100, 117, 128, 162, 165, 217, 263, 279, 288, 298. Used anisotropic refinement.	Coordinates not in standardized location. Few residues without density.	3C-like proteinase	57.3	minimal	Yes	Yes	-	-	89.1	21.9	78.0		-
6xrz	6.90 Å	2020-08-19	Cryo-EM	-	SARS-CoV-2	RNA/RNA	No functional ligands	N/A	N/A	N/A	Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome	-		-	-	()		2020-07-14	32743589	-	-	-	-	N/A	-	-	Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome - GB residues 13434-13521	N/A	-		No	-		N/A	N/A	N/A	Frameshift Stimulation Element from the SARS-CoV-2 RNA Genome	-
6zmi	2.60 Å	2020-08-19	Cryo-EM	-	SARS-CoV-2	NSP1	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2020-07-02	32680882	ZN; MG	-	-	-	N/A	-	-	28S ribosomal RNA; 60S ribosomal protein L7a; 60S ribosomal protein L9; 60S ribosomal protein L10-like; 60S ribosomal protein L11; 60S ribosomal protein L13; 60S ribosomal protein L14; 60S ribosomal protein L15; 60S ribosomal protein L13a; 60S ribosomal protein L17; 60S ribosomal protein L18; 5S ribosomal RNA; 60S ribosomal protein L19; 60S ribosomal protein L18a; 60S ribosomal protein L21; 60S ribosomal protein L22; 60S ribosomal protein L23; 60S ribosomal protein L24; 60S ribosomal protein L23a; 60S ribosomal protein L26; 60S ribosomal protein L27; 60S ribosomal protein L27a; 5.8S ribosomal RNA; 60S ribosomal protein L29; 60S ribosomal protein L30; 60S ribosomal protein L31; 60S ribosomal protein L32; 60S ribosomal protein L35a; 60S ribosomal protein L34; 60S ribosomal protein L35; 60S ribosomal protein L36; 60S ribosomal protein L37; 60S ribosomal protein L38; 60S ribosomal protein L8; 60S ribosomal protein L39; Ubiquitin-60S ribosomal protein L40; 60S ribosomal protein L41; 60S ribosomal protein L36a; 60S ribosomal protein L37a; 60S ribosomal protein L28; 60S acidic ribosomal protein P0; 60S ribosomal protein L12; 60S ribosomal protein L10a; 18S ribosomal RNA; 60S ribosomal protein L3; 40S ribosomal protein SA; 40S ribosomal protein S3a; 40S ribosomal protein S3; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S5; 40S ribosomal protein S7; 40S ribosomal protein S8; 40S ribosomal protein S10; 40S ribosomal protein S11; 40S ribosomal protein S15; 60S ribosomal protein L4; 40S ribosomal protein S16; 40S ribosomal protein S17; 40S ribosomal protein S18; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S21; 40S ribosomal protein S23; 40S ribosomal protein S26; 40S ribosomal protein S28; 40S ribosomal protein S29; 60S ribosomal protein L5; Receptor of activated protein C kinase 1; 40S ribosomal protein S2; 40S ribosomal protein S6; 40S ribosomal protein S9; 40S ribosomal protein S12; 40S ribosomal protein S13; 40S ribosomal protein S14; 40S ribosomal protein S15a; 40S ribosomal protein S24; 40S ribosomal protein S25; 60S ribosomal protein L6; 40S ribosomal protein S27; 40S ribosomal protein S30; Ubiquitin-40S ribosomal protein S27a; Proliferation-associated protein 2G4; tRNA; Cell growth-regulating nucleolar protein; Non-structural protein 1; 60S ribosomal protein L7	N/A	-		No	-		N/A	N/A	N/A		-
6zmo	3.10 Å	2020-08-19	Cryo-EM	-	SARS-CoV-2	NSP1	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2020-07-03	32680882	MG; ZN	-	-	-	N/A	-	-	28S ribosomal RNA; 60S ribosomal protein L7a; 60S ribosomal protein L9; 60S ribosomal protein L10-like; 60S ribosomal protein L11; 60S ribosomal protein L13; 60S ribosomal protein L14; 60S ribosomal protein L15; 60S ribosomal protein L13a; 60S ribosomal protein L17; 60S ribosomal protein L18; 5S ribosomal RNA; 60S ribosomal protein L19; 60S ribosomal protein L18a; 60S ribosomal protein L21; 60S ribosomal protein L22; 60S ribosomal protein L23; 60S ribosomal protein L24; 60S ribosomal protein L23a; 60S ribosomal protein L26; 60S ribosomal protein L27; 60S ribosomal protein L27a; 5.8S ribosomal RNA; 60S ribosomal protein L29; 60S ribosomal protein L30; 60S ribosomal protein L31; 60S ribosomal protein L32; 60S ribosomal protein L35a; 60S ribosomal protein L34; 60S ribosomal protein L35; 60S ribosomal protein L36; 60S ribosomal protein L37; 60S ribosomal protein L38; 60S ribosomal protein L8; 60S ribosomal protein L39; Ubiquitin-60S ribosomal protein L40; 60S ribosomal protein L41; 60S ribosomal protein L36a; 60S ribosomal protein L37a; 60S ribosomal protein L28; 60S acidic ribosomal protein P0; 60S ribosomal protein L12; 60S ribosomal protein L10a; 18S ribosomal RNA; 60S ribosomal protein L3; 40S ribosomal protein SA; 40S ribosomal protein S3a; 40S ribosomal protein S3; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S5; 40S ribosomal protein S7; 40S ribosomal protein S8; 40S ribosomal protein S10; 40S ribosomal protein S11; 40S ribosomal protein S15; 60S ribosomal protein L4; 40S ribosomal protein S16; 40S ribosomal protein S17; 40S ribosomal protein S18; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S21; 40S ribosomal protein S23; 40S ribosomal protein S26; 40S ribosomal protein S28; 40S ribosomal protein S29; 60S ribosomal protein L5; Receptor of activated protein C kinase 1; 40S ribosomal protein S2; 40S ribosomal protein S6; 40S ribosomal protein S9; 40S ribosomal protein S12; 40S ribosomal protein S13; 40S ribosomal protein S14; 40S ribosomal protein S15a; 40S ribosomal protein S24; 40S ribosomal protein S25; 60S ribosomal protein L6; 40S ribosomal protein S27; 40S ribosomal protein S30; Ubiquitin-40S ribosomal protein S27a; Proliferation-associated protein 2G4; tRNA; tRNA; Elongation factor 1-alpha 1; Cell growth-regulating nucleolar protein; Non-structural protein 1; 60S ribosomal protein L7	N/A	-		No	-		N/A	N/A	N/A		-
6zmt	3.00 Å	2020-08-19	Cryo-EM	-	SARS-CoV-2	NSP1	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2020-07-03	32680882	ZN	-	-	-	N/A	-	-	40S ribosomal protein SA; 40S ribosomal protein S5; 40S ribosomal protein S11; 40S ribosomal protein S10; 40S ribosomal protein S13; 40S ribosomal protein S12; 40S ribosomal protein S14; 40S ribosomal protein S15; 40S ribosomal protein S16; 40S ribosomal protein S17; 40S ribosomal protein S18; 40S ribosomal protein S3a; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S15a; 40S ribosomal protein S23; 40S ribosomal protein S24; 40S ribosomal protein S21; 40S ribosomal protein S25; 40S ribosomal protein S27; 40S ribosomal protein S28; 40S ribosomal protein S30; 40S ribosomal protein S2; 40S ribosomal protein S29; Ubiquitin-40S ribosomal protein S27a; Receptor of activated protein C kinase 1; 18S ribosomal RNA; Non-structural protein 1; Pre-rRNA-processing protein TSR1 homolog; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S3; 40S ribosomal protein S6; 40S ribosomal protein S7; 40S ribosomal protein S8; 40S ribosomal protein S9	N/A	-		No	-		N/A	N/A	N/A		-
7com	2.25 Å	2020-08-19	X-ray	U5G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.78%	24.63%	17.70%	boceprevir (bound form)	boceprevir (bound form)	XDS	99.90%	11.7	SSRF (BL19U1)	BUSTER	2020-08-04	33602867	-	-	http://covid19.bioreproducibility.org/static/data/7com/7com_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/7com/7com_rerefined.mtz	24.91%	Achesym, added 3 missing residues in chain B (THR 45, LEU 50, ASN 51 B), flipped some sidechains, modeled disorder, refined U5G in chain A.	Missing reidues and flipped sidechain.	main protease	40.4	moderate	Yes	Yes	-		38.8	49.8	68.2		-
6m39	3.55 Å	2020-08-26	Cryo-EM	NAG	SADS-CoV	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-03-03	32817223	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6w79	1.46 Å	2020-08-26	X-ray	X77, MES	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.64%	17.73%	N/A	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-2000	99.70%	41.3	APS (21-ID-G)	PHENIX	2020-03-18	-	-	-	http://covid19.bioreproducibility.org/static/data/6w79/6w79_refined.pdb	http://covid19.bioreproducibility.org/static/data/6w79/6w79_refined.mtz	15.40%	Achesymed. Minor coordinate adjustments. Used anisotropic refinement.	The coordinates are NOT in a standardized location in the unit cell.	Main protease	79.2	minimal	Yes	Yes	-	-	93.1	60.2	86.8		-
7cn9	4.70 Å	2020-08-26	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-07-30	32755598	-	-	-	-	N/A	-	-	Spike protein S1, Spike protein S2	N/A	-		No	-		N/A	N/A	N/A		-
7jhe	2.25 Å	2020-08-26	X-ray	SAH, V9G, MGP	SARS-CoV-2	NSP10/NSP16	Functional ligand	22.31%	24.85%	N/A	7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE; S-ADENOSYL-L-HOMOCYSTEINE	S-ADENOSYL-L-HOMOCYSTEINE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE	DIALS	100.00%	2.45	APS (19-ID)	REFMAC	2020-07-20	33972410	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	68.4	-		No	-		36.7	87.7	87.7		-
7jib	2.65 Å	2020-08-26	X-ray	SAM, SAH, GTA, V9G, MGP	SARS-CoV-2	NSP10/NSP16	Functional ligand	15.49%	18.09%	14.80%	P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; S-ADENOSYLMETHIONINE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE; S-ADENOSYL-L-HOMOCYSTEINE	S-ADENOSYLMETHIONINE; S-ADENOSYL-L-HOMOCYSTEINE; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-(2'-O-METHYL)-ADENOSINE; 7-METHYL-GUANOSINE-5'-TRIPHOSPHATE	HKL-3000	99.60%	15.0	APS (19-ID)	REFMAC	2020-07-23	33972410	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	69.4	-		No	-		91.8	25.0	97.4		-
7jji	3.60 Å	2020-08-26	Cryo-EM	NAG, VCG, EIC	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose; 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside; LINOLEIC ACID		-	-	()		2020-07-26	33082295	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jjj	4.50 Å	2020-08-26	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-07-26	33082295	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jlt	2.70 Å	2020-08-26	X-ray	-	SARS-CoV-2	NSP7/NSP8	No functional ligands	23.65%	28.30%	12.90%		-	HKL-3000	99.30%	4.8	ALS (5.0.1)	PHENIX	2020-07-30	33999154	-	-	-	-	N/A	-	-	Non-structural protein 7; Non-structural protein 8	29.0	-		No	-		12.7	90.8	30.3		-
7jmo	2.36 Å	2020-08-26	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.51%	23.81%	16.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	97.20%	5.7	SSRL (BL12-1)	PHENIX	2020-08-02	33027617	-	-	-	-	N/A	-	-	Spike protein S1; COVA2-04 heavy chain; COVA2-04 light chain	37.3	-		No	-		46.7	35.8	68.1		-
7jmp	1.71 Å	2020-08-26	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	17.68%	20.91%	5.70%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	97.20%	11.6	SSRL (BL12-1)	PHENIX	2020-08-02	33027617	-	-	-	-	N/A	-	-	Spike protein S1; COVA2-39 heavy chain; COVA2-39 light chain	52.6	-		No	-		74.7	28.6	76.7		-
7jpe	2.18 Å	2020-08-26	X-ray	GTA, SAM, 8NK	SARS-CoV-2	NSP10/NSP16	Functional ligand	21.70%	23.70%	N/A	S-ADENOSYLMETHIONINE; 7-methylguanosine 5'-diphosphate; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE	P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; S-ADENOSYLMETHIONINE; 7-methylguanosine 5'-diphosphate	DIALS	100.00%	2.55	APS (19-ID)	REFMAC	2020-08-07	33972410	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	75.9	-		No	-		47.7	87.7	94.8		-
7jr3	1.55 Å	2020-08-26	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.91%	18.32%	3.80%		-	XDS	96.00%	15.53	LNLS SIRUS (MANACA)	PHENIX	2020-08-11	-	-	-	http://covid19.bioreproducibility.org/static/data/7jr3/7jr3_refined.pdb	http://covid19.bioreproducibility.org/static/data/7jr3/7jr3_refined.mtz	19.40%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase - UNP residues 3264-3569	64.8	minimal	Yes	Yes	-	-	90.9	48.2	65.4		-
7jr4	1.55 Å	2020-08-26	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	15.30%	18.02%	2.50%		-	XDS	94.10%	22.17	LNLS SIRUS (MANACA)	PHENIX	2020-08-11	-	-	-	http://covid19.bioreproducibility.org/static/data/7jr4/7jr4_refined.pdb	http://covid19.bioreproducibility.org/static/data/7jr4/7jr4_refined.mtz	18.70%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase - UNP residues 3264-3569	68.4	minimal	Yes	Yes	-	-	92.1	39.0	81.0		-
7jrn	2.48 Å	2020-08-26	X-ray	TTT	SARS-CoV-2	NSP3: PLpro	Functional ligand	24.54%	28.72%	15.80%	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	HKL-3000	86.20%	5.4	APS (19-BM)	REFMAC	2020-08-12	34341772	ZN	-	-	-	N/A	-	-	Papain-like proteinase	32.2	-		No	-		11.0	48.4	81.1		-
7jtl	2.04 Å	2020-08-26	X-ray	-	SARS-CoV-2	ORF8	No functional ligands	21.99%	26.40%	10.09%		-	XDS	95.06%	14.92	ALS (5.0.2)	PHENIX	2020-08-18	33361333	-	-	-	-	N/A	-	-	Nonstructural protein NS8	21.8	-		No	-		28.8	31.2	58.6		-
6xf5	3.45 Å	2020-09-02	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-15	32742241	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6xf6	4.00 Å	2020-09-02	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-15	32742241	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zh9	3.31 Å	2020-09-02	X-ray	-	SARS-CoV-2	Spike	No functional ligands	26.09%	30.52%	9.10%		-	XDS	100.00%	0.018	Diamond (I03)	REFMAC	2020-06-21	32661423	-	-	-	-	N/A	-	-	CR3022 heavy; CR3022 Light chain; Spike glycoprotein; Nanobody H11-H4	2.8	-		No	-		6.5	13.4	38.8		-
7c2q	1.93 Å	2020-09-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	22.62%	26.50%	11.80%		-	XDS	99.90%	15.4	SSRF (BL17U1)	PHENIX	2020-05-08	32880863	-	-	http://covid19.bioreproducibility.org/static/data/7c2q/7c2q_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/7c2q/7c2q_rerefined.mtz	24.15%	Standardized with Achesym server; added NCS restraints; added over 250 water molecules; Fixed numerous sidechains and rotamers; added residues: we were able to trace GLN 299 and CYS 300 not mentioned in the FASTA file, but clearly visible and similar to other structures.	Structure practically unmodelled with many sidechains missing and few residures missing in both chains.	3C-like proteinase	23.4	significant	Yes	Yes	-		22.9	28.3	70.9		-
7c2y	1.91 Å	2020-09-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	22.01%	26.17%	4.90%		-	XDS	99.90%	13.9	SSRF (BL17U1)	PHENIX	2020-05-10	-	-	-	http://covid19.bioreproducibility.org/static/data/7c2y/7c2y_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/7c2y/7c2y_rerefined.mtz	23.34%	Standardized with Achesym server; added NCS restraints; added over 250 water molecules; Fixed numerous sidechains and rotamers; added residues: we were able to trace GLN 299 and CYS 300 not mentioned in the FASTA file, but clearly visible and similar to other structures.	Structure practically unmodelled with many sidechains missing and few residures missing in both chains.	3C-like proteinase	43.3	significant	Yes	Yes	-	-	25.5	55.8	81.1		-
7c6s	1.60 Å	2020-09-02	X-ray	U5G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.75%	22.22%	N/A	boceprevir (bound form)	boceprevir (bound form)	HKL-2000	99.90%	22.3	SSRF (BL19U1)	PHENIX	2020-05-22	32887884	-	-	http://covid19.bioreproducibility.org/static/data/7c6s/7c6s_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/7c6s/7c6s_rerefined.mtz	16.57%	Standardized with Achesym server; added anisotropic refinement; deleted few water molecules, added over 220 water molecules; added residues: GLY 302, VAL 303, THR 304, PHE 305; modeled disorder for: LYS 12, GLU 47, SER 62, GLN 110, CYS 117, SER 267, GLU 288, ARG 298; fixed/changed rotamers for: GLN 19, THR 24, LEU 67, GLN 69, VAL 86, THR 190, ARG 217, THR 224, LYS 236, ASN 277; flipped or added sidechain for: ASN 53, ASN 84, GLN 119, ARG 222.	Many missing water molecules, unmodeled disorder, incorrect rotamers, missing residues.	3C-like proteinase	53.8	significant	Yes	Yes	-		62.9	42.2	77.4		-
7c6u	2.00 Å	2020-09-02	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	24.15%	25.12%	N/A	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-2000	99.80%	34.4	SSRF (BL19U1)	PHENIX	2020-05-22	32887884	-	-	http://covid19.bioreproducibility.org/static/data/7c6u/7c6u_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/7c6u/7c6u_rerefined.mtz	23.40%	Achesym, re-refined in Refmac using identical TLS ranges as in the original file. Otherwise not corrected.	There is some indication of the low-occupancy alternate chirality of C21 in the link to Cys145, but we did not model it.	3C-like proteinase	23.7	minimal	Yes	Yes	-		34.0	29.1	59.5		-
7c8b	2.20 Å	2020-09-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.70%	23.00%	6.60%	Z-VAD(OMe)-FMK	-	XDS	99.80%	21.4	SSRF (BL19U1)	REFMAC	2020-05-29	-	-	-	http://covid19.bioreproducibility.org/static/data/7c8b/7c8b_refined.pdb	http://covid19.bioreproducibility.org/static/data/7c8b/7c8b_refined.mtz	23.00%	Achesymed. Since the connection to Cys145 is very poor, it required strong restraints.	The connection to Cys145 is very poor.	3C-like proteinase; Z-VAD(OMe)-FMK	36.4	minimal	Yes	Yes	-	-	54.9	39.7	54.3		-
7c8d	3.00 Å	2020-09-02	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-05-29	33020722	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7cbt	2.35 Å	2020-09-02	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.92%	29.20%	N/A	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-3000	99.90%	2.625	ROTATING ANODE ()	PHENIX	2020-06-13	33691601	-	-	http://covid19.bioreproducibility.org/static/data/7cbt/7cbt_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/7cbt/7cbt_rerefined.mtz	27.20%	Completely rebuilt chain between residues 210 and 290 in chain B. Added waters, including the “catalytic” water in chain A, flipped His41 bound to it (in both chains). Phe group of the inhibitor reoriented in chain B. Adjusted residues 55 and 222 in chain A, 47 and 137 in B, flipped peptide 194 in B. Applied TLS – for each whole each molecule.	Many issues with chain B.	Replicase polyprotein 1ab	0.8	significant	Yes	Yes	-		9.3	14.6	18.7		-
7cdz	1.80 Å	2020-09-02	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	19.73%	22.66%	N/A		-	HKL-3000	98.40%	32.724	SSRF (BL19U1)	PHENIX	2020-06-21	32914439	-	-	-	-	N/A	-	-	Nucleoprotein - NTD	21.0	-		No	-		58.6	14.3	43.9		-
7ce0	1.50 Å	2020-09-02	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	17.67%	19.03%	N/A		-	HKL-3000	91.70%	30.265	SSRF (BL19U1)	PHENIX	2020-06-21	32914439	-	-	-	-	N/A	-	-	Nucleoprotein - CTD	56.7	-		No	-		87.6	42.2	58.3		-
7cjd	2.50 Å	2020-09-02	X-ray	-	SARS-CoV-2	NSP3: PLpro	No functional ligands	23.31%	28.19%	18.30%		-	XDS	99.20%	9.53	SSRF (BL17U)	PHENIX	2020-07-10	32895623	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1ab	2.3	-		No	-		13.3	18.0	24.0		-
7cjm	3.20 Å	2020-09-02	X-ray	TTT	SARS-CoV-2	NSP3: PLpro	Functional ligand	26.81%	28.59%	19.02%	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	XDS	99.05%	12.92	ROTATING ANODE ()	PHENIX	2020-07-11	33473130	ZN	-	-	-	N/A	-	-	Non-structural protein 3	13.5	-		No	-		11.6	36.4	50.9		-
7cmd	2.59 Å	2020-09-02	X-ray	TTT	SARS-CoV-2	NSP3: PLpro	Functional ligand	24.37%	29.80%	31.80%	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	XDS	99.20%	3.24	SSRF (BL17U)	PHENIX	2020-07-27	32895623	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1ab	8.7	-		No	-		7.7	37.7	38.7		-
7ctt	3.20 Å	2020-09-02	Cryo-EM	GE6	SARS-CoV-2	NSP7/NSP8/NSP12/RNA	Protein-protein complex	N/A	N/A	N/A	Primer-RNA (5'-R(PUPUPCPUPCPCPUPAPAPGPAPAPGPCPUPA)-3'); [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate; Template-RNA (5'-R(PAPCPUPAPGPCPUPUPCPUPUPAPGPGPAPGPAPA)-3')	[[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate		-	-	()	PHENIX	2020-08-20	33521757	MG; ZN	-	-	-	N/A	-	-	nsp12; nsp8; nsp7; Primer-RNA (5'-R(PUPUPCPUPCPCPUPAPAPGPAPAPGPCPUPA)-3'); Template-RNA (5'-R(PAPCPUPAPGPCPUPUPCPUPUPAPGPGPAPGPAPA)-3')	N/A	-		No	-		N/A	N/A	N/A	Primer-RNA (5'-R(PUPUPCPUPCPCPUPAPAPGPAPAPGPCPUPA)-3'); Template-RNA (5'-R(PAPCPUPAPGPCPUPUPCPUPUPAPGPGPAPGPAPA)-3')	-
7jme	1.55 Å	2020-09-02	X-ray	CMP	SARS-CoV-2	NSP3: Macro	Functional ligand	15.68%	18.21%	7.64%	ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE	ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE	HKL-2000	95.05%	10.91	APS (21-ID-F)	PHENIX	2020-07-31	32981460	-	-	-	-	N/A	-	-	Non-structural protein 3	80.2	-		No	-		91.3	55.3	96.7		-
7jun	2.30 Å	2020-09-02	X-ray/N-diffr.	DOD	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.50%	22.00%	12.90%		water	Mantid; CrysalisPro	97.90%	13.0	ROTATING ANODE, SPALLATION SOURCE ()	nCNS	2020-08-20	33060199	-	-	-	-	N/A	-	-	3C-like proteinase	N/A	-		No	-		N/A	N/A	N/A		-
7ju7	1.60 Å	2020-09-02	X-ray	G65	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.86%	19.18%	8.40%	Masitinib	Masitinib	HKL-3000	98.50%	26.3	APS (19-ID)	PHENIX	2020-08-20	34285133	-	-	http://covid19.bioreproducibility.org/static/data/7ju7/7ju7_rerefinement.pdb	http://covid19.bioreproducibility.org/static/data/7ju7/7ju7_rerefinement.mtz	17.13%	Standardized unit cell placement by running Achesym; applied anisotropic refinement; added few alternative conformations to several sidechains; added 91 water molecules that appeared on electron density map when anisotropic refinement was applied.	Structure looks generally good; few missing alternative conformations; the electron density on some parts of the ligand is weak but the placement of the ligand is justified.	3C-like proteinase	72.4	minimal	Yes	Yes	-		86.8	42.5	92.1		-
7jyc	1.79 Å	2020-09-09	X-ray	NNA, NA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.50%	21.25%	7.90%	SODIUM ION; (1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropyla mino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropyla mino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide; SODIUM ION	XDS	98.00%	10.5	NSLS-II (17-ID-2)	REFMAC	2020-08-19	35842458	-	-	http://covid19.bioreproducibility.org/static/data/7jyc/7jyc_rerefinement.pdb	http://covid19.bioreproducibility.org/static/data/7jyc/7jyc_rerefinement.mtz	21.44%	Minor changes; few rotamers changed; few sidechains flipped, added ~ 50 water molecules, changed occupancy form 0.1 to 1.0 for residues 302-306.	Overall good structure, with only some wierd 10% occupancy at the end of the main chain.	3C-like proteinase	52.5	minimal	Yes	Yes	-		72.0	52.3	55.6		-
7a5r	3.70 Å	2020-09-09	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2020-08-30	33087721	-	-	-	-	N/A	-	-	CR3022 Fab Heavy Chain; CR3022 Fab Light Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7a5s	3.90 Å	2020-09-16	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2020-08-21	33087721	-	-	-	-	N/A	-	-	CR3022 Fab Heavy Chain; CR3022 Fab Light Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7a91	3.60 Å	2020-09-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-08-21	32942285	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7a93	5.90 Å	2020-09-16	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-09-01	32942285	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7a94	3.90 Å	2020-09-16	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-01	32942285	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7a95	4.30 Å	2020-09-16	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-09-01	32942285	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7a96	4.80 Å	2020-09-16	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-09-01	32942285	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7a97	4.40 Å	2020-09-16	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-09-01	32942285	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7ch4	3.15 Å	2020-09-16	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	22.53%	27.26%	N/A		-	HKL-2000	100.00%	7.78	SSRF (BL19U1)	PHENIX	2020-09-01	32970990	-	-	-	-	N/A	-	-	BD-604 Fab H; BD-604 Fab L; Spike glycoprotein	33.9	-		No	-		18.1	69.3	56.4		-
7ch5	2.70 Å	2020-09-16	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	22.69%	25.98%	N/A		-	HKL-2000	100.00%	13.78	SSRF (BL17U1)	PHENIX	2020-07-05	32970990	-	-	-	-	N/A	-	-	BD-629 Fab H; BD-629 Fab L; Spike glycoprotein	28.9	-		No	-		26.8	48.6	58.1		-
7chb	2.40 Å	2020-09-16	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	19.24%	22.56%	N/A		-	HKL-2000	99.62%	15.2	SSRF (BL17U1)	PHENIX	2020-07-05	32970990	-	-	-	-	N/A	-	-	BD-236 Fab heavy chain; BD-236 Fab light chain; SARS-coV-2 Receptor Binding Domain	48.1	-		No	-		59.7	47.4	64.4		-
7chc	2.71 Å	2020-09-16	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	21.21%	28.58%	N/A		-	HKL-2000	99.90%	12.49	SSRF (BL17U1)	PHENIX	2020-07-05	32970990	-	-	-	-	N/A	-	-	BD-629 Fab H; IGK@ protein; Spike glycoprotein; BD-368-2 Fab H; BD-368-2 Fab L	25.4	-		No	-		11.6	69.6	45.2		-
7che	3.42 Å	2020-09-16	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	22.47%	23.88%	N/A		-	HKL-2000	94.54%	11.55	SSRF (BL17U1)	PHENIX	2020-07-05	32970990	-	-	-	-	N/A	-	-	BD-236 Fab heavy chain; BD-236 Fab light chain; SARS-coV-2 Receptor Binding Domain; BD-368-2 Fab heavy chain; BD-368-2 Fab light chain	20.2	-		No	-		46.1	60.6	8.2		-
7chf	2.67 Å	2020-09-16	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	21.96%	26.98%	N/A		-	HKL-2000	95.96%	16.2	SSRF (BL17U1)	PHENIX	2020-07-05	32970990	-	-	-	-	N/A	-	-	BD-604 Fab heavy chain; BD-604 Fab light chain; SARS-coV-2 Receptor Binding Domain; BD-368-2 Fab heavy chain; BD-368-2 Fab light chain	12.5	-		No	-		19.8	50.7	25.4		-
7chh	3.49 Å	2020-09-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-07-05	32970990	-	-	-	-	N/A	-	-	Spike glycoprotein; BD-368-2 Fab heavy chain; BD-368-2 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7cx9	1.73 Å	2020-09-16	X-ray	GKF	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.01%	20.92%	5.70%	3-iodanyl-1~{H}-indazole-7-carbaldehyde	3-iodanyl-1~{H}-indazole-7-carbaldehyde	XDS	97.20%	21.6	SSRF (BL19U1)	REFMAC	2020-07-05	-	-	-	http://covid19.bioreproducibility.org/static/data/7cx9/7cx9_refined.pdb	http://covid19.bioreproducibility.org/static/data/7cx9/7cx9_refined.mtz	18.83%	Achesymed. Added missing residues 45 and 46 and reordered 301 at the C terminus. Removed double conformation of residues 110, 142, 155, 198, 225, 226, 245, 270. Deleted 16 waters, added 2. Refined with 6 TLS groups. The occupancy of the I atom of the inhibitor GKF was originally set at 0.51, and changed that to 1.0, but there is very large negative density. Possible interpretation is radiation damage.	Missing residues, unnecessary double conformation.	3C protein	37.6	minimal	Yes	Yes	-	-	74.7	30.2	46.3		-
7jvz	2.50 Å	2020-09-16	XFEL	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.23%	21.72%	N/A		-	CrystFEL	100.00%	5.0	FREE ELECTRON LASER ()	REFMAC	2020-09-01	-	-	-	http://covid19.bioreproducibility.org/static/data/7jvz/7jvz_refined.pdb	http://covid19.bioreproducibility.org/static/data/7jvz/7jvz_refined.mtz	25.20%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	N/A	minimal	Yes	Yes	-	-	N/A	N/A	N/A		-
7jyy	2.05 Å	2020-09-16	X-ray	SAM, NA, FMT	SARS-CoV-2	NSP10/NSP16/RNA	Functional ligand	16.58%	18.46%	8.30%	FORMIC ACID; SODIUM ION; S-ADENOSYLMETHIONINE; RNA (5'-D((M7G))-R(PAPUPUP*A)-3')	S-ADENOSYLMETHIONINE; SODIUM ION; FORMIC ACID	HKL-3000	100.00%	24.1	APS (21-ID-F)	REFMAC	2020-08-24	34131072	NA; MG; ZN	-	http://covid19.bioreproducibility.org/static/data/7jyy/7jyy_rerefinement2.pdb	http://covid19.bioreproducibility.org/static/data/7jyy/7jyy_rerefinement2.mtz	17.85%	ACHESYM, NCS, TLS (based the ranges on the deposited pdb file). Added external restraints from RetraintLib. Large unmodeled electon density next to TYR 7020 A, probably a nucleotide. Nucleotides in chains E and F should have partial occupancy, since there many negative electron density peaks and B-factors seems to be high. The Rfree improvement is achieved mainly by relaxing restraints, with the increase of RMS deviations for bonds and angles. There were inconsistencies between 7jyy and 7jz0 after achesym, so the grouping was changed to (A,B,E;C,D,F) so the chains are in the same place.	Overly restrained structure, requires ACHESYM, NCS, and TLS.	2'-O-methyltransferase; Non-structural protein 10; RNA (5'-D((M7G))-R(PAPUPUP*A)-3')	59.7	minimal	Yes	Yes			90.4	13.8	89.8	RNA (5'-D((M7G))-R(PAPUPUP*A)-3')	-
7jz0	2.15 Å	2020-09-16	X-ray	SAH, NA, FMT	SARS-CoV-2	NSP10/NSP16/RNA	Functional ligand	17.33%	19.81%	9.00%	FORMIC ACID; RNA (5'-D((M7G))-R(P(A2M)PUPU)-3'); SODIUM ION; S-ADENOSYL-L-HOMOCYSTEINE	S-ADENOSYL-L-HOMOCYSTEINE; SODIUM ION; FORMIC ACID	HKL-3000	100.00%	26.6	APS (21-ID-F)	REFMAC	2020-09-01	-	ZN; NA	-	http://covid19.bioreproducibility.org/static/data/7jz0/7jz0_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/7jz0/7jz0_rerefined.mtz	19.66%	ACHESYM , NCS, TLS, and external restraints from RetraintLib. Nucleotides in chains E and F should have partial occupancy, since there are many negative electron density peaks and B-factors seem to be high. The Rfree improvement was achieved mainly by relaxing restraints, with the increase of RMS deviations for bonds and angles. No manual changes.	Overly restrained structure, requires ACHESYM, NCS, and TLS.	2'-O-methyltransferase; Non-structural protein 10; RNA (5'-D((M7G))-R(P(A2M)PUPU)-3')	57.5	minimal	Yes	Yes		-	82.9	12.6	94.0	RNA (5'-D((M7G))-R(P(A2M)PUPU)-3')	-
6zxn	2.93 Å	2020-09-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-01	32887876	-	-	-	-	N/A	-	-	Spike glycoprotein; Nanobody Ty1	N/A	-		No	-		N/A	N/A	N/A		-
7a98	5.40 Å	2020-09-23	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-07-30	32942285	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7aap	2.50 Å	2020-09-23	Cryo-EM	POP, GE6	SARS-CoV-2	NSP7/NSP8/NSP12/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(PUPUPAPAPGPUPUPAPU)-3'); [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate; PYROPHOSPHATE 2-; RNA (5'-R(PUPUPCPAPUPAPAPCPUPUPAP*A)-3')	PYROPHOSPHATE 2-; [[(2~{R},3~{S},4~{R},5~{R})-5-(3-aminocarbonyl-5-fluoranyl-2-oxidanylidene-pyrazin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate		-	-	()	PHENIX; phenix.real_space_refine	2020-09-01	33526596	ZN; MG	-	-	-	N/A	-	-	Non-structural protein 12; Non-structural protein 8; Non-structural protein 7; RNA (5'-R(PUPUPAPAPGPUPUPAPU)-3'); RNA (5'-R(PUPUPCPAPUPAPAPCPUPUPAP*A)-3')	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(PUPUPCPAPUPAPAPCPUPUPAPA)-3'); RNA (5'-R(PUPUPAPAPGPUPUPAP*U)-3')	-
7cai	3.49 Å	2020-09-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-04	32703908	-	-	-	-	N/A	-	-	Spike glycoprotein - UNP residues 1-1208; Light chain of H014 Fab; Heavy chain of H014 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7cak	3.58 Å	2020-09-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-08	32703908	-	-	-	-	N/A	-	-	Spike glycoprotein - UNP residues 1-1208; Light chain of H014 Fab; Heavy chain of H014 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7d1o	1.78 Å	2020-09-23	X-ray	NNA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.28%	24.85%	N/A	(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropyla mino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-({1-[(tert-butylsulfonyl)methyl]cyclohexyl}carbamoyl)-3-methyl-L-valyl]-N-{(1S)-1-[(1R)-2-(cyclopropyla mino)-1-hydroxy-2-oxoethyl]pentyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	HKL-2000	99.70%	16.8	SSRF (BL17U1)	PHENIX	2020-06-08	33542181	-	-	-	-	N/A	-	-	3C-like proteinase	30.9	-		No	-		36.7	32.6	68.5		-
7jkv	1.25 Å	2020-09-23	X-ray	V7G, 1PE	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	14.46%	17.69%	5.87%	PENTAETHYLENE GLYCOL; N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-({(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide; PENTAETHYLENE GLYCOL	xia2	95.08%	10.52	SPring-8 (BL24XU)	REFMAC	2020-09-15	33510133	-	-	-	-	N/A	-	-	3C-like proteinase	70.1	-		No	-		93.3	64.1	58.6		-
7jx6	1.61 Å	2020-09-23	X-ray	-	SARS-CoV-2	ORF8	No functional ligands	20.23%	23.31%	5.65%	SODIUM ION	SODIUM ION	XDS	99.76%	27.09	ALS (4.2.2)	PHENIX	2020-07-29	-	-	-	http://covid19.bioreproducibility.org/static/data/7jx6/7jx6_rerefinement.pdb	http://covid19.bioreproducibility.org/static/data/7jx6/7jx6_rerefinement.mtz	21.59%	Standardized unit cell placement by running Achesym; applied anisotropic refinement; added waters, added disorder to ASP 34A, ASP 34B, ILE 39 B, GLU 106 A; added OXT to ILE 121 A and ILE 121 ; changed rotamers: ILE 47 B, ARG 52 B, LYS 53 B, ILE 58 A, VAL 62 A, LYS 94 A.	Some missing disorder, several rotamers to fix and missing residues. Residues 63-78 in chain B are missing, and it was possible to trace some parts of the missing model; however, the B factors were very high and did not improve the R factor enough to model that fragment. It seems there is a bigger electron density next to GLN 18 A, but we were not able to find a good solution and keep waters in the place.	ORF8 protein	49.2	minimal	Yes	Yes	-	-	51.9	53.9	67.7		-
7jzl	2.70 Å	2020-09-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-26	32907861	-	-	-	-	N/A	-	-	Spike glycoprotein; LCB1	N/A	-		No	-		N/A	N/A	N/A		-
7jzm	3.50 Å	2020-09-23	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-09-02	32907861	-	-	-	-	N/A	-	-	LCB3; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jzn	3.10 Å	2020-09-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-02	32907861	-	-	-	-	N/A	-	-	Spike glycoprotein; LCB3	N/A	-		No	-		N/A	N/A	N/A		-
7jzu	3.10 Å	2020-09-23	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-09-02	32907861	-	-	-	-	N/A	-	-	LCB1; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7k1l	2.25 Å	2020-09-23	X-ray	UVC	SARS-CoV-2	NSP15	Functional ligand	16.66%	19.15%	19.30%	URIDINE-2',3'-VANADATE	URIDINE-2',3'-VANADATE	HKL-3000	98.60%	10.8	APS (19-ID)	PHENIX	2020-09-02	33564093	-	-	http://covid19.bioreproducibility.org/static/data/7k1l/7k1l_achesym-coot-73-hoh_pdbin.pdb	http://covid19.bioreproducibility.org/static/data/7k1l/7k1l_refined.mtz	16.79%	Achesymed. Added SO4, ACT, replaced SO4 with TRS, added 2 EDO and 74 HOH. Changes several rotamers.	ASN 0 -> SER 2 in A and B should be disordered. HOH 502 A (next to UVC 401 A) has a bond to V , not sure if it is the right metal coordination. Next to UVC 401 B there is unmodeled electron density. In chain UVC 401 A there is ACY in that position.	Uridylate-specific endoribonuclease	85.2	moderate	Yes	Yes	-		87.0	93.8	85.5		-
7k1o	2.40 Å	2020-09-23	X-ray	VQV	SARS-CoV-2	NSP15	Functional ligand	20.68%	24.25%	14.40%	1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione	1-(3,5-di-O-phosphono-alpha-L-xylofuranosyl)pyrimidine-2,4(1H,3H)-dione	HKL-3000	96.80%	15.0	APS (19-ID)	PHENIX	2020-09-07	-	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	59.3	-		No	-	-	42.5	65.5	85.0		-
7k3t	1.20 Å	2020-09-23	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.10%	18.66%	9.40%		-	XDS	97.80%	11.6	NSLS-II (17-ID-2)	REFMAC	2020-09-08	35842458	-	-	http://covid19.bioreproducibility.org/static/data/7k3t/7k3t_refined.pdb	http://covid19.bioreproducibility.org/static/data/7k3t/7k3t_refined.mtz	16.30%	Re-indexed to C2 space group, ACHESYMED, added several water molecules, employed full anysotropic refinement, modified residues 97, 102, 269, 189, added PEG	I2 space group. Too high R-free for 1.2A resulution	3C-like proteinase	71.4	significant	Yes	Yes	-		95.7	40.0	83.2		http://covid19.bioreproducibility.org/static/data/7k3t/7k3t_refined_report.pdf
7k40	1.35 Å	2020-09-23	X-ray	U5G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.98%	19.15%	4.50%	boceprevir (bound form)	boceprevir (bound form)	XDS	99.20%	16.4	NSLS-II (17-ID-2)	REFMAC	2020-09-13	35842458	-	-	http://covid19.bioreproducibility.org/static/data/7k40/7k40_refined.pdb	http://covid19.bioreproducibility.org/static/data/7k40/7k40_refined.mtz	18.30%	Standardized unit cell placement by running Achesym; removed very model at very weak density after Cys300; change DMSO 403-406 to water molecules, added additional water moecules.	Improper cif file used for inhibitor	3C-like proteinase - UNP residues 3264-3569	51.3	moderate	Yes	Yes	-		87.0	29.5	61.1		-
5rl6	1.92 Å	2020-09-23	X-ray	PO4, LJA	SARS-CoV-2	NSP13	PanDDA fragment screening	17.82%	24.95%	6.70%	PHOSPHATE ION; N-[3-(carbamoylamino)phenyl]acetamide	PHOSPHATE ION; N-[3-(carbamoylamino)phenyl]acetamide	XDS	96.80%	8.2	Diamond (I04-1)	BUSTER	2020-09-14	34381037	ZN	-	-	-	N/A	-	-	Helicase	13.4	-		No	-		35.7	14.3	48.5		-
5rl7	1.89 Å	2020-09-30	X-ray	VVD, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	22.68%	26.90%	6.50%	5-(acetylamino)-2-fluorobenzoic acid; PHOSPHATE ION	5-(acetylamino)-2-fluorobenzoic acid; PHOSPHATE ION	XDS	96.50%	8.6	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	6.2	-		No	-		20.1	15.2	39.4		-
5rl8	2.21 Å	2020-09-30	X-ray	VVG, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	20.94%	26.95%	12.20%	N-(2-fluorophenyl)ethanesulfonamide; PHOSPHATE ION	N-(2-fluorophenyl)ethanesulfonamide; PHOSPHATE ION	XDS	97.50%	5.7	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	12.1	-		No	-		19.9	39.3	35.7		-
5rl9	1.79 Å	2020-09-30	X-ray	PO4, UR7	SARS-CoV-2	NSP13	PanDDA fragment screening	17.70%	23.14%	7.10%	PHOSPHATE ION; 1-(3-fluoro-4-methylphenyl)methanesulfonamide	PHOSPHATE ION; 1-(3-fluoro-4-methylphenyl)methanesulfonamide	XDS	96.30%	7.1	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	27.2	-		No	-		53.6	16.8	59.5		-
5rlb	1.98 Å	2020-09-30	X-ray	VVJ, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	21.40%	26.19%	9.60%	N-cycloheptyl-N-methylmethanesulfonamide; PHOSPHATE ION	N-cycloheptyl-N-methylmethanesulfonamide; PHOSPHATE ION	XDS	96.30%	6.7	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	12.3	-		No	-		25.3	36.1	34.0		-
5rlc	1.92 Å	2020-09-30	X-ray	PO4, VVM	SARS-CoV-2	NSP13	PanDDA fragment screening	20.60%	25.22%	6.60%	PHOSPHATE ION; 4-amino-N-phenylbenzene-1-sulfonamide	PHOSPHATE ION; 4-amino-N-phenylbenzene-1-sulfonamide	XDS	96.80%	8.3	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	19.0	-		No	-		33.2	33.4	45.5		-
5rld	2.23 Å	2020-09-30	X-ray	PO4, VVY	SARS-CoV-2	NSP13	PanDDA fragment screening	16.62%	26.96%	11.50%	PHOSPHATE ION; 2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one	PHOSPHATE ION; 2-phenoxy-1-(pyrrolidin-1-yl)ethan-1-one	XDS	96.80%	5.7	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	10.6	-		No	-		19.8	32.8	37.5		-
5rle	2.27 Å	2020-09-30	X-ray	PO4, VVP	SARS-CoV-2	NSP13	PanDDA fragment screening	15.14%	26.16%	8.50%	PHOSPHATE ION; 4-methoxy-1H-indole	PHOSPHATE ION; 4-methoxy-1H-indole	XDS	96.30%	7.0	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	8.4	-		No	-		25.5	22.2	35.3		-
5rlf	2.23 Å	2020-09-30	X-ray	NY7, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	16.07%	25.39%	7.80%	N-(2-methoxy-5-methylphenyl)glycinamide; PHOSPHATE ION	N-(2-methoxy-5-methylphenyl)glycinamide; PHOSPHATE ION	XDS	96.80%	8.1	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	14.1	-		No	-		31.9	23.8	44.7		-
5rlg	1.96 Å	2020-09-30	X-ray	VW1, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	24.58%	28.59%	8.90%	(2S)-2-(4-cyanophenoxy)propanamide; PHOSPHATE ION	(2S)-2-(4-cyanophenoxy)propanamide; PHOSPHATE ION	XDS	96.40%	6.8	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	4.4	-		No	-		11.6	13.7	42.1		-
5rlh	2.38 Å	2020-09-30	X-ray	PO4, K2P	SARS-CoV-2	NSP13	PanDDA fragment screening	15.61%	25.08%	16.80%	PHOSPHATE ION; 2-(trifluoromethoxy)benzoic acid	PHOSPHATE ION; 2-(trifluoromethoxy)benzoic acid	XDS	97.20%	5.5	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	14.8	-		No	-		34.6	28.6	38.9		-
5rli	2.26 Å	2020-09-30	X-ray	JFM, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	19.67%	26.81%	13.20%	N-(2-phenylethyl)methanesulfonamide; PHOSPHATE ION	N-(2-phenylethyl)methanesulfonamide; PHOSPHATE ION	XDS	97.10%	6.2	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	12.6	-		No	-		20.7	37.3	38.2		-
5rlj	1.88 Å	2020-09-30	X-ray	PO4, VW4	SARS-CoV-2	NSP13	PanDDA fragment screening	17.30%	22.80%	7.10%	PHOSPHATE ION; (2S)-2-phenylpropane-1-sulfonamide	PHOSPHATE ION; (2S)-2-phenylpropane-1-sulfonamide	XDS	96.40%	8.5	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	30.5	-		No	-		57.0	22.9	57.1		-
5rlk	1.96 Å	2020-09-30	X-ray	PO4, NYV	SARS-CoV-2	NSP13	PanDDA fragment screening	17.25%	23.97%	7.40%	PHOSPHATE ION; 1-(propan-2-yl)-1H-imidazole-4-sulfonamide	PHOSPHATE ION; 1-(propan-2-yl)-1H-imidazole-4-sulfonamide	XDS	96.60%	7.8	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	23.5	-		No	-		45.2	26.1	51.0		-
5rll	2.08 Å	2020-09-30	X-ray	PO4, H04	SARS-CoV-2	NSP13	PanDDA fragment screening	21.54%	26.73%	10.50%	PHOSPHATE ION; 1-(2-ethoxyphenyl)piperazine	PHOSPHATE ION; 1-(2-ethoxyphenyl)piperazine	XDS	96.70%	5.9	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	11.9	-		No	-		21.3	32.4	40.6		-
5rlm	1.86 Å	2020-09-30	X-ray	PO4, VW7	SARS-CoV-2	NSP13	PanDDA fragment screening	17.28%	23.67%	7.20%	PHOSPHATE ION; N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide	PHOSPHATE ION; N-(8-methyl-1,2,3,4-tetrahydroquinolin-5-yl)acetamide	XDS	96.10%	7.3	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	23.7	-		No	-		48.3	22.2	52.2		-
5rln	2.15 Å	2020-09-30	X-ray	NZG, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	17.41%	25.84%	11.40%	3-(acetylamino)-4-fluorobenzoic acid; PHOSPHATE ION	3-(acetylamino)-4-fluorobenzoic acid; PHOSPHATE ION	XDS	97.00%	6.7	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	10.4	-		No	-		27.9	18.7	43.2		-
5rlo	2.10 Å	2020-09-30	X-ray	PO4, UQS	SARS-CoV-2	NSP13	PanDDA fragment screening	16.71%	24.28%	10.20%	PHOSPHATE ION; N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine	PHOSPHATE ION; N-[(2-fluorophenyl)methyl]-1H-pyrazol-4-amine	XDS	97.10%	5.9	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	15.9	-		No	-		42.3	20.2	42.4		-
5rlp	2.56 Å	2020-09-30	X-ray	PO4, VWA	SARS-CoV-2	NSP13	PanDDA fragment screening	14.12%	25.27%	14.80%	PHOSPHATE ION; (1S)-1-(4-fluorophenyl)-N-methylethan-1-amine	PHOSPHATE ION; (1S)-1-(4-fluorophenyl)-N-methylethan-1-amine	XDS	97.40%	6.4	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	17.6	-		No	-		32.9	36.1	40.0		-
5rlq	2.23 Å	2020-09-30	X-ray	UVA, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	15.45%	25.39%	8.30%	N-methyl-2-(methylsulfonyl)aniline; PHOSPHATE ION	N-methyl-2-(methylsulfonyl)aniline; PHOSPHATE ION	XDS	96.40%	7.3	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	18.6	-		No	-		31.9	32.4	47.2		-
5rlr	2.32 Å	2020-09-30	X-ray	PO4, VWD	SARS-CoV-2	NSP13	PanDDA fragment screening	20.88%	28.26%	12.10%	PHOSPHATE ION; (1R)-2-(methylsulfonyl)-1-phenylethan-1-ol	PHOSPHATE ION; (1R)-2-(methylsulfonyl)-1-phenylethan-1-ol	XDS	96.40%	7.3	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	8.3	-		No	-		12.9	36.7	33.1		-
5rls	2.28 Å	2020-09-30	X-ray	VWG, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	15.64%	25.41%	12.90%	N-hydroxyquinoline-2-carboxamide; PHOSPHATE ION	N-hydroxyquinoline-2-carboxamide; PHOSPHATE ION	XDS	96.90%	5.5	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	14.9	-		No	-		31.5	34.4	36.4		-
5rlt	2.43 Å	2020-09-30	X-ray	PO4, UVJ	SARS-CoV-2	NSP13	PanDDA fragment screening	15.08%	26.35%	14.70%	PHOSPHATE ION; 3-(2-methyl-1H-benzimidazol-1-yl)propanamide	PHOSPHATE ION; 3-(2-methyl-1H-benzimidazol-1-yl)propanamide	XDS	97.60%	5.6	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	17.2	-		No	-		24.1	40.7	43.1		-
5rlu	2.35 Å	2020-09-30	X-ray	JG4, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	15.97%	27.31%	12.00%	2-(thiophen-2-yl)-1H-imidazole; PHOSPHATE ION	2-(thiophen-2-yl)-1H-imidazole; PHOSPHATE ION	XDS	97.30%	5.7	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	3.8	-		No	-		17.7	15.3	31.4		-
5rlv	2.21 Å	2020-09-30	X-ray	VWJ, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	20.10%	25.96%	10.60%	N-(propan-2-yl)-1H-benzimidazol-2-amine; PHOSPHATE ION	N-(propan-2-yl)-1H-benzimidazol-2-amine; PHOSPHATE ION	XDS	96.70%	7.6	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	14.0	-		No	-		26.9	37.3	35.9		-
5rlw	1.97 Å	2020-09-30	X-ray	S9S, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	17.11%	23.72%	10.10%	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide; PHOSPHATE ION	~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide; PHOSPHATE ION	XDS	96.30%	6.7	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	21.7	-		No	-		47.6	23.2	47.3		-
5rly	2.43 Å	2020-09-30	X-ray	K34, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	15.44%	26.05%	13.60%	5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole; PHOSPHATE ION	5-(1,3-thiazol-2-yl)-1H-1,2,4-triazole; PHOSPHATE ION	XDS	96.90%	6.4	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	17.8	-		No	-		26.2	47.7	35.7		-
5rlz	1.97 Å	2020-09-30	X-ray	VWM, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	22.15%	27.34%	8.60%	(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid; PHOSPHATE ION	(3R)-1-acetyl-3-hydroxypiperidine-3-carboxylic acid; PHOSPHATE ION	XDS	96.40%	6.4	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	8.2	-		No	-		17.6	26.4	38.5		-
5rm0	1.91 Å	2020-09-30	X-ray	PO4, S7G	SARS-CoV-2	NSP13	PanDDA fragment screening	16.78%	23.85%	7.60%	PHOSPHATE ION; ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide	PHOSPHATE ION; ~{N}-[(3~{R})-1,2,3,4-tetrahydroquinolin-3-yl]ethanamide	XDS	96.00%	6.9	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	21.1	-		No	-		46.4	26.4	44.3		-
5rm1	1.90 Å	2020-09-30	X-ray	PO4, RY4	SARS-CoV-2	NSP13	PanDDA fragment screening	17.56%	23.40%	7.50%	PHOSPHATE ION; N-[4-(aminomethyl)phenyl]methanesulfonamide	PHOSPHATE ION; N-[4-(aminomethyl)phenyl]methanesulfonamide	XDS	95.80%	7.6	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	33.1	-		No	-		50.9	37.9	53.4		-
5rm2	1.82 Å	2020-09-30	X-ray	PO4, UXG	SARS-CoV-2	NSP13	PanDDA fragment screening	23.05%	27.29%	7.20%	PHOSPHATE ION; 1-(diphenylmethyl)azetidin-3-ol	PHOSPHATE ION; 1-(diphenylmethyl)azetidin-3-ol	XDS	95.50%	7.2	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	9.6	-		No	-		18.0	19.4	49.8		-
5rm3	2.09 Å	2020-09-30	X-ray	S7J, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	21.61%	27.40%	9.60%	2-(trifluoromethyl)pyrimidine-5-carboxamide; PHOSPHATE ION	2-(trifluoromethyl)pyrimidine-5-carboxamide; PHOSPHATE ION	XDS	97.10%	6.6	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	6.0	-		No	-		17.2	25.7	31.2		-
5rm4	2.96 Å	2020-09-30	X-ray	PO4, PK4	SARS-CoV-2	NSP13	PanDDA fragment screening	16.79%	25.33%	21.20%	PHOSPHATE ION; 2-fluoro-N,3-dimethylbenzene-1-sulfonamide	PHOSPHATE ION; 2-fluoro-N,3-dimethylbenzene-1-sulfonamide	XDS	94.00%	6.8	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	22.8	-		No	-		32.2	60.5	28.0		-
5rm5	2.06 Å	2020-09-30	X-ray	PO4, NUA	SARS-CoV-2	NSP13	PanDDA fragment screening	20.59%	26.21%	9.10%	PHOSPHATE ION; N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide	PHOSPHATE ION; N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide	XDS	97.10%	7.5	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	12.7	-		No	-		25.0	27.5	44.0		-
5rm6	2.13 Å	2020-09-30	X-ray	PO4, HR5	SARS-CoV-2	NSP13	PanDDA fragment screening	16.22%	25.11%	9.10%	PHOSPHATE ION; ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide	PHOSPHATE ION; ~{N}-(cyclobutylmethyl)-1,5-dimethyl-pyrazole-4-carboxamide	XDS	97.10%	7.1	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	14.8	-		No	-		34.1	24.1	44.0		-
5rm7	1.84 Å	2020-09-30	X-ray	PO4, N0E	SARS-CoV-2	NSP13	PanDDA fragment screening	22.16%	26.86%	8.10%	PHOSPHATE ION; ~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide	PHOSPHATE ION; ~{N}-(4-hydroxyphenyl)-3-phenyl-propanamide	XDS	96.20%	6.8	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	10.8	-		No	-		20.5	22.7	47.9		-
5rm8	2.14 Å	2020-09-30	X-ray	GQJ, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	16.69%	24.83%	11.40%	methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate; PHOSPHATE ION	methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate; PHOSPHATE ION	XDS	97.10%	6.3	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	16.3	-		No	-		36.8	26.4	42.8		-
5rm9	2.08 Å	2020-09-30	X-ray	PO4, EJQ	SARS-CoV-2	NSP13	PanDDA fragment screening	16.71%	25.43%	7.60%	PHOSPHATE ION; ~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide	PHOSPHATE ION; ~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide	XDS	96.60%	8.0	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	12.1	-		No	-		31.4	19.4	44.1		-
5rma	1.89 Å	2020-09-30	X-ray	PO4, JHJ	SARS-CoV-2	NSP13	PanDDA fragment screening	17.60%	23.56%	7.00%	PHOSPHATE ION; N-(4-methoxyphenyl)-N'-pyridin-4-ylurea	PHOSPHATE ION; N-(4-methoxyphenyl)-N'-pyridin-4-ylurea	XDS	96.00%	7.4	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	21.2	-		No	-		49.4	18.2	49.6		-
5rmb	2.21 Å	2020-09-30	X-ray	VWV, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	16.48%	24.90%	10.10%	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate; PHOSPHATE ION	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate; PHOSPHATE ION	XDS	97.00%	6.8	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	18.5	-		No	-		36.0	31.9	43.1		-
5rmc	2.15 Å	2020-09-30	X-ray	PO4, 6SU	SARS-CoV-2	NSP13	PanDDA fragment screening	20.89%	25.75%	10.90%	PHOSPHATE ION; methyl 3-(methylsulfonylamino)benzoate	PHOSPHATE ION; methyl 3-(methylsulfonylamino)benzoate	XDS	97.20%	7.5	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	12.4	-		No	-		28.7	26.0	40.9		-
5rmd	1.92 Å	2020-09-30	X-ray	VWY, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	21.74%	26.05%	7.50%	N-ethyl-4-[(methylsulfonyl)amino]benzamide; PHOSPHATE ION	N-ethyl-4-[(methylsulfonyl)amino]benzamide; PHOSPHATE ION	XDS	95.80%	7.4	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	20.1	-		No	-		26.2	34.4	54.2		-
5rme	2.23 Å	2020-09-30	X-ray	RYM, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	21.18%	28.44%	12.40%	4-(benzimidazol-1-ylmethyl)benzenecarbonitrile; PHOSPHATE ION	4-(benzimidazol-1-ylmethyl)benzenecarbonitrile; PHOSPHATE ION	XDS	96.20%	6.3	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	8.3	-		No	-		12.1	45.1	25.5		-
5rmf	2.23 Å	2020-09-30	X-ray	NX7, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	20.75%	27.04%	12.10%	(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone; PHOSPHATE ION	(2,6-difluorophenyl)(pyrrolidin-1-yl)methanone; PHOSPHATE ION	XDS	97.20%	6.2	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	20.4	-		No	-		19.3	57.2	38.8		-
5rmg	2.12 Å	2020-09-30	X-ray	PO4, MUK	SARS-CoV-2	NSP13	PanDDA fragment screening	17.01%	25.59%	9.90%	PHOSPHATE ION; 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine	PHOSPHATE ION; 4,6-dimethyl-~{N}-phenyl-pyrimidin-2-amine	XDS	96.80%	6.3	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	11.6	-		No	-		30.2	23.5	39.7		-
5rmh	2.02 Å	2020-09-30	X-ray	VX4, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	16.33%	24.26%	9.80%	[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone; PHOSPHATE ION	[(4S)-4-methylazepan-1-yl](1,3-thiazol-4-yl)methanone; PHOSPHATE ION	XDS	96.60%	6.3	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	30.3	-		No	-		42.5	52.2	42.0		-
5rmi	2.12 Å	2020-09-30	X-ray	STV, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	16.43%	25.13%	11.50%	~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide; PHOSPHATE ION	~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide; PHOSPHATE ION	XDS	97.10%	6.1	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	17.9	-		No	-		34.0	27.1	48.6		-
5rmj	2.10 Å	2020-09-30	X-ray	JOV, PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	23.30%	29.65%	9.40%	3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide; PHOSPHATE ION	3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide; PHOSPHATE ION	XDS	96.70%	6.8	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	2.2	-		No	-		8.1	16.2	30.9		-
5rmk	2.08 Å	2020-09-30	X-ray	PO4, O2A	SARS-CoV-2	NSP13	PanDDA fragment screening	22.16%	27.37%	11.10%	PHOSPHATE ION; N-methyl-1H-indole-7-carboxamide	PHOSPHATE ION; N-methyl-1H-indole-7-carboxamide	XDS	97.00%	6.0	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	7.5	-		No	-		17.5	18.5	44.0		-
5rml	2.43 Å	2020-09-30	X-ray	PO4, VXD	SARS-CoV-2	NSP13	PanDDA fragment screening	20.70%	28.85%	12.10%	PHOSPHATE ION; N-(3-chloro-2-methylphenyl)glycinamide	PHOSPHATE ION; N-(3-chloro-2-methylphenyl)glycinamide	XDS	97.20%	6.3	Diamond (I04-1)	REFMAC	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	4.3	-		No	-		10.5	31.3	24.7		-
5rmm	2.20 Å	2020-09-30	X-ray	PO4, VXG	SARS-CoV-2	NSP13	PanDDA fragment screening	21.23%	28.05%	12.10%	PHOSPHATE ION; (3S,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid	PHOSPHATE ION; (3S,4S)-1-acetyl-4-phenylpyrrolidine-3-carboxylic acid	XDS	97.30%	6.7	Diamond (I04-1)	BUSTER	2020-09-16	34381037	ZN	-	-	-	N/A	-	-	Helicase	3.9	-		No	-		13.8	18.5	32.4		-
6zb4	3.03 Å	2020-09-30	Cryo-EM	NAG, EIC	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID		-	-	()	PHENIX	2020-09-16	32958580	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6zb5	2.85 Å	2020-09-30	Cryo-EM	NAG, EIC	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID		-	-	()	PHENIX	2020-06-06	32958580	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7a92	4.20 Å	2020-09-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-06-07	32942285	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7cwb	1.90 Å	2020-09-30	XFEL	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	21.81%	25.69%	N/A		-	CrystFEL	99.91%	10.4	FREE ELECTRON LASER ()	PHENIX	2020-09-01	34403647	-	-	http://covid19.bioreproducibility.org/static/data/7cwb/7cwb_refined.pdb	http://covid19.bioreproducibility.org/static/data/7cwb/7cwb_refined.mtz	N/A	-	According to the PDB validation report, more than half of the residues are RSRZ outliers. However, the map looks quite OK, and a quick run of Molprobity shows that the structure is in the top 96%. Interestingly, the title of the deposit talks about changes in the active site, but we were unable to find any. HOH 410 cannot be a water but a split of glu290 (too close) and Val 104 collides with HOH (bad rotamer), but those are minor abandonments.	3C-like proteinase	N/A	minimal		Yes	-		N/A	N/A	N/A		-
7cwc	2.10 Å	2020-09-30	XFEL	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	23.07%	25.93%	N/A		-	CrystFEL	100.00%	11.2	FREE ELECTRON LASER ()	PHENIX	2020-08-27	34403647	-	-	http://covid19.bioreproducibility.org/static/data/7cwc/7cwc_refined.pdb	http://covid19.bioreproducibility.org/static/data/7cwc/7cwc_refined.mtz	25.50%	Placed the coordinates in a standardized location in the unit cell using ACHESYM. Added TLS.	Coordinates not in standardized location.	3C-like proteinase	N/A	minimal	Yes	Yes	-		N/A	N/A	N/A		-
7k3g	-	2020-09-30	NMR	-	SARS-CoV-2	Envelope	No functional ligands	N/A	N/A	N/A		-		-	-	()		2020-08-27	33177698	-	-	-	-	N/A	-	-	Envelope small membrane protein	N/A	-		No	-		N/A	N/A	N/A		-
7k3n	1.65 Å	2020-09-30	X-ray	-	SARS-CoV-2	NSP1	No functional ligands	20.30%	24.82%	N/A		-	HKL-3000	99.80%	35.6	APS (19-ID)	PHENIX	2020-09-11	33319167	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	24.5	-		No	-		36.9	38.8	48.6		-
7k6d	1.48 Å	2020-09-30	X-ray	SV6	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.47%	21.53%	13.50%	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	XDS; Aimless; AutoProcess	100.00%	7.7	NSLS-II (17-ID-1)	PHENIX	2020-09-11	35842458	-	-	http://covid19.bioreproducibility.org/static/data/7k6d/7k6d_refined.pdb	http://covid19.bioreproducibility.org/static/data/7k6d/7k6d_refined.mtz	22.60%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	69.9	minimal	Yes	Yes	-		69.5	64.3	81.8		-
7k6e	1.63 Å	2020-09-30	X-ray	SV6	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.41%	24.53%	13.60%	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	XDS; AutoProcess	100.00%	9.2	NSLS-II (17-ID-1)	PHENIX	2020-09-19	35842458	-	-	http://covid19.bioreproducibility.org/static/data/7k6e/7k6e_refined.pdb	http://covid19.bioreproducibility.org/static/data/7k6e/7k6e_refined.mtz	25.50%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	49.6	minimal	Yes	Yes	-		39.8	56.0	78.5		-
7k7p	1.77 Å	2020-09-30	X-ray	-	SARS-CoV-2	NSP1	No functional ligands	18.84%	21.65%	7.10%		-	HKL-2000	99.81%	40.38	ROTATING ANODE ()	PHENIX	2020-09-19	33234675	-	-	-	-	N/A	-	-	Non-structural protein 1	42.5	-		No	-		68.4	35.9	56.4		-
7d3i	2.00 Å	2020-09-30	X-ray	GQU, TRS	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.59%	20.89%	6.30%	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; (3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide	(3~{S},3~{a}~{S},6~{a}~{R})-2-[3-[3,5-bis(fluoranyl)phenyl]propanoyl]-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide; 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	XDS	99.30%	16.6	PETRA III, DESY (P11)	BUSTER	2020-09-23	33602867	-	-	http://covid19.bioreproducibility.org/static/data/7d3i/7d3i_refined.pdb	http://covid19.bioreproducibility.org/static/data/7d3i/7d3i_refined.mtz	20.70%	Achesymed, reoriented Glu288, added 6 waters.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	83.1	minimal	Yes	Yes	-		75.1	93.3	86.7		-
7d47	1.97 Å	2020-10-07	X-ray	CA	SARS-CoV-2	NSP3: PLpro	No functional ligands	18.75%	19.73%	N/A	CALCIUM ION	CALCIUM ION		98.81%	19.55	NSRRC (BL13B1)	PHENIX	2020-09-19	-	CA; ZN	-	http://covid19.bioreproducibility.org/static/data/7d47/7d47_rerefined.pdb	http://covid19.bioreproducibility.org/static/data/7d47/7d47_rerefined.mtz	20.52%	Added 9 residues in chain B. The electron density in residues 188-195 and 227-230 is not very strong, but it was possible to trace the amino acids. The crystal is twinned.	The coordinates are NOT in a standardized location in the unit cell. Twinned crystal. Mising residues.	Non-structural protein 3	59.0	significant	Yes	Yes	-	-	83.5	69.3	39.8		-
7joy	2.00 Å	2020-10-07	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	21.70%	25.20%	13.80%		-	xia2	96.30%	3.9	ROTATING ANODE ()	BUSTER	2020-09-22	33208735	-	-	http://covid19.bioreproducibility.org/static/data/7joy/7joy_refined.pdb	http://covid19.bioreproducibility.org/static/data/7joy/7joy_refined.mtz	28.50%	Reindexed -h, -k, -l to make it isomorphous with 7jox (replaced by 7khp). Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	21.5	minimal	Yes	Yes	-		33.3	29.5	55.1		-
7jp1	1.80 Å	2020-10-07	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.90%	23.25%	6.40%		-	xia2	96.90%	9.8	APS (23-ID-B)	REFMAC	2020-08-07	33208735	-	-	http://covid19.bioreproducibility.org/static/data/7jp1/7jp1_refined.pdb	http://covid19.bioreproducibility.org/static/data/7jp1/7jp1_refined.mtz	24.90%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	The coordinates are NOT in a standardized location in the unit cell.	3C-like proteinase	57.6	minimal	Yes	Yes	-		52.6	73.8	63.3		-
7jwb	6.00 Å	2020-10-07	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-08-07	33082574	-	-	-	-	N/A	-	-	autonomous human heavy chain variable domain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7k43	2.60 Å	2020-10-07	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-25	32972994	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; S2M11 Fab fragment (heavy chain); S2M11 Fab fragment (light chain)	N/A	-		No	-		N/A	N/A	N/A		-
7k45	3.70 Å	2020-10-07	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2020-09-14	32972994	-	-	-	-	N/A	-	-	S2E12 neutralizing antibody Fab fragment (heavy chain); S2E12 neutralizing antibody Fab fragment (light chain); Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7k4n	3.30 Å	2020-10-07	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-14	32972994	-	-	-	-	N/A	-	-	Spike glycoprotein; S2E12 neutralizing antibody Fab fragment (heavy chain); S2E12 neutralizing antibody Fab fragment (light chain)	N/A	-		No	-		N/A	N/A	N/A		-
6xkp	2.72 Å	2020-10-07	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	21.99%	26.94%	19.90%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	90.80%	3.7	SSRL (BL12-1)	REFMAC	2020-09-15	33058755	-	-	-	-	N/A	-	-	Spike protein S1; CV07-270 Heavy Chain; CV07-270 Light Chain	13.7	-		No	-		19.9	38.9	40.6		-
6xkq	2.55 Å	2020-10-14	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	20.40%	25.46%	11.90%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	99.60%	6.2	SSRL (BL12-1)	PHENIX	2020-06-26	33058755	-	-	-	-	N/A	-	-	Spike protein S1; CV07-250 Heavy Chain; CV07-250 Light Chain	22.2	-		No	-		31.2	31.6	56.6		-
6zpe	1.58 Å	2020-10-14	X-ray	-	SARS-CoV-2	NSP10	No functional ligands	15.15%	15.98%	4.40%		-	XDS	99.90%	24.1	MAX IV (BioMAX)	PHENIX	2020-06-26	33036230	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1ab	64.5	-		No	-		97.1	25.0	81.7		-
7jmw	2.89 Å	2020-10-14	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	23.79%	29.08%	N/A		-	HKL-2000	97.90%	7.4	SSRL (BL12-1)	PHENIX; REFMAC	2020-07-08	33242394	-	-	-	-	N/A	-	-	Spike protein S1; COVA1-16 heavy chain; COVA1-16 light chain	24.0	-		No	-		9.7	70.1	43.5		-
7jv2	3.50 Å	2020-10-14	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-08-03	32991844	-	-	-	-	N/A	-	-	S2H13 Fab heavy chain; S2H13 Fab light chain; SARS-CoV-2 spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jv4	3.40 Å	2020-10-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-20	32991844	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; S2H13 Fab heavy chain; S2H13 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7jv6	3.00 Å	2020-10-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-20	32991844	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; S2H13 Fab heavy chain; S2H13 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7jva	3.60 Å	2020-10-14	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-08-20	32991844	-	-	-	-	N/A	-	-	S2A4 Fab heavy chain; S2A4 Fab light chain; SARS-CoV-2 spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jvc	3.30 Å	2020-10-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-20	32991844	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; S2A4 Fab heavy chain; S2A4 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7jw0	4.30 Å	2020-10-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-20	32991844	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; S304 Fab light chain; S304 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7jx3	2.65 Å	2020-10-14	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	25.78%	28.81%	19.90%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.60%	8.7	ALS (4.2.2)	REFMAC	2020-08-24	32991844	-	-	-	-	N/A	-	-	Light chain of Fab domain of monoclonal antibody S309; Heavy chain of Fab domain of monoclonal antibody S309; Light chain of Fab domain of monoclonal antibody S2H14; Heavy chain of Fab domain of monoclonal antibody S2H14; Light chain of Fab domain of monoclonal antibody S304; Heavy chain of Fab domain of monoclonal antibody S304; Spike glycoprotein - Receptor binding domain (UNP residues 328-531)	54.3	-		No	-		10.6	78.5	94.3		-
7k5i	2.90 Å	2020-10-14	Cryo-EM	-	SARS-CoV-2	NSP1	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-08-26	32995777	MG; ZN	-	-	-	N/A	-	-	40S ribosomal protein S17; 40S ribosomal protein S18; 40S ribosomal protein S19; 40S ribosomal protein S20; 40S ribosomal protein S25; 40S ribosomal protein S28; 40S ribosomal protein S27a; Receptor of activated protein C kinase 1; 40S ribosomal protein SA; 40S ribosomal protein S3a; 40S ribosomal protein S2; 40S ribosomal rRNA18S; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S6; 40S ribosomal protein S7; 40S ribosomal protein S8; 40S ribosomal protein S9; 40S ribosomal protein S11; 40S ribosomal protein S13; 40S ribosomal protein S14; 40S ribosomal protein S21; 40S ribosomal protein S15a; 40S ribosomal protein S29; 40S ribosomal protein S23; 40S ribosomal protein S24; 40S ribosomal protein S26; 40S ribosomal protein S27; 40S ribosomal protein S30; 60S ribosomal protein L41; SARS-COV-2 Nsp1; 40S ribosomal protein S3; 40S ribosomal protein S5; 40S ribosomal protein S10; 40S ribosomal protein S12; 40S ribosomal protein S15; 40S ribosomal protein S16	N/A	-		No	-		N/A	N/A	N/A		-
7kag	3.21 Å	2020-10-14	X-ray	-	SARS-CoV-2	NSP3: Ubl1	No functional ligands	21.43%	24.78%	5.30%		-	HKL-3000	96.00%	17.53	APS (19-ID)	PHENIX	2020-09-16	-	-	-	-	-	N/A	-	-	Non-structural protein 3 - ubiquitin-like domain	54.3	-		No	-	-	37.5	95.7	50.1		-
7a29	2.94 Å	2020-10-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2020-09-30	33149112	-	-	-	-	N/A	-	-	Spike glycoprotein; Neutralising sybody (Sb23)	N/A	-		No	-		N/A	N/A	N/A		-
7k8m	3.20 Å	2020-10-21	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	17.53%	23.42%	16.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.70%	6.0	SSRL (BL12-1)	PHENIX	2020-08-16	33045718	-	-	-	-	N/A	-	-	C102 Fab Heavy Chain; C102 Fab Light Chain; Spike glycoprotein - receptor binding domain (UNP residues 331-517)	50.3	-		No	-		50.8	93.3	31.7		-
7k8s	3.40 Å	2020-10-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-27	33045718	-	-	-	-	N/A	-	-	Spike glycoprotein; C002 Fab Heavy Chain; C002 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7k8t	3.40 Å	2020-10-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-27	33045718	-	-	-	-	N/A	-	-	Spike glycoprotein; C002 Fab Heavy Chain; C002 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7k8u	3.80 Å	2020-10-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-27	33045718	-	-	-	-	N/A	-	-	Spike glycoprotein; C104 Fab Heavy Chain; C104 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7k8v	3.80 Å	2020-10-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-27	33045718	-	-	-	-	N/A	-	-	Spike glycoprotein; C110 Fab Heavy Chain; C110 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7k8w	3.60 Å	2020-10-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-27	33045718	-	-	-	-	N/A	-	-	Spike glycoprotein; C119 Fab Heavy Chain; C119 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7k8x	3.90 Å	2020-10-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-27	33045718	-	-	-	-	N/A	-	-	Spike glycoprotein; C121 Fab Heavy chain; C121 Fab Light chain	N/A	-		No	-		N/A	N/A	N/A		-
7k8y	4.40 Å	2020-10-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-27	33045718	-	-	-	-	N/A	-	-	Spike glycoprotein; C121 Fab Heavy chain; C121 Fab Light chain	N/A	-		No	-		N/A	N/A	N/A		-
7k8z	3.50 Å	2020-10-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-27	33045718	-	-	-	-	N/A	-	-	Spike glycoprotein; C135 Fab Heavy Chain; C135 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7k90	3.24 Å	2020-10-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-27	33045718	-	-	-	-	N/A	-	-	Spike glycoprotein; C144 Fab Heavy Chain; C144 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7k9p	2.60 Å	2020-10-21	X-ray	-	SARS-CoV-2	NSP15	No functional ligands	19.14%	20.88%	N/A		-	CrystFEL	100.00%	3.1	FREE ELECTRON LASER ()	REFMAC	2020-09-27	36630960	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	79.8	-		No	-		75.2	95.3	71.8		-
7kdt	3.05 Å	2020-10-21	Cryo-EM	-	SARS-CoV-2	ORF9B	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-09-29	33060197	-	-	-	-	N/A	-	-	Mitochondrial import receptor subunit TOM70; ORF9b protein	N/A	-		No	-		N/A	N/A	N/A		-
7act	-	2020-10-21	NMR	-	SARS-CoV-2	Nucleocapsid/RNA	Protein-protein complex	N/A	N/A	N/A	ssRNA	-		-	-	()		2020-10-09	33264373	-	-	-	-	N/A	-	A hybrid of experimental (protein) and modeling (nucleic acid) components	Nucleoprotein; ssRNA	N/A	hybrid		No	-		N/A	N/A	N/A	ssRNA	-
7aku	2.50 Å	2020-10-28	X-ray	RN2	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.23%	23.53%	19.00%	Calpeptin	Calpeptin	autoPROC	86.23%	3.712	PETRA III, DESY (P11)	PHENIX	2020-09-11	33811162	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	44.6	-		No	-		49.6	88.6	26.6		-
7d1m	1.35 Å	2020-10-28	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	11.67%	15.70%	4.70%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-2000	98.70%	11.4	SSRF (BL17U1)	REFMAC	2020-10-02	32887884	-	-	-	-	N/A	-	-	3C-like proteinase	66.9	-		No	-		97.5	39.8	71.6		-
7jjc	2.36 Å	2020-10-28	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	20.32%	24.99%	10.00%	Spike glycoprotein	-	XDS	99.60%	11.4	Australian Synchrotron (MX1)	PHENIX	2020-09-14	33082294	-	-	-	-	N/A	-	-	Neuropilin-1; Spike glycoprotein	49.3	-		No	-		35.4	80.4	58.0		-
7jn5	2.71 Å	2020-10-28	X-ray	PO4, NAG	SARS-CoV	Spike	Protein-protein complex	21.11%	27.21%	9.20%	PHOSPHATE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	PHOSPHATE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	97.50%	6.7	SSRL (BL12-2)	PHENIX	2020-07-25	33275640	-	-	-	-	N/A	-	-	CR3022 heavy chain; CR3022 light chain; Spike glycoprotein	15.9	-		No	-		18.3	56.6	30.0		-
7k9z	2.95 Å	2020-10-28	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	26.12%	28.71%	16.80%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	12.3	APS (23-ID-D)	PHENIX	2020-08-03	34135340	-	-	-	-	N/A	-	-	52 Fab Heavy Chain; 52 Fab Light Chain; 298 Fab Light Chain; 298 Fab Heavy Chain; Spike glycoprotein	14.7	-		No	-		11.0	49.9	40.9		-
7kfi	1.60 Å	2020-10-28	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.20%	21.80%	15.90%		-	XDS	99.90%	8.5	LNLS SIRUS (MANACA)	BUSTER	2020-09-29	34174328	-	-	-	-	N/A	-	-	Main protease - UNP residues 3264-3569	47.4	-		No	-		66.9	15.6	87.5		-
7kg3	1.45 Å	2020-10-28	X-ray	MLI, MES	SARS-CoV-2	NSP3: Macro	No functional ligands	15.76%	17.74%	9.79%	MALONATE ION; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	MALONATE ION; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	94.14%	11.53	()	PHENIX	2020-10-14	33636189	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	85.2	-		No	-		93.1	89.6	84.1		-
7khp	1.95 Å	2020-10-28	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	20.36%	24.79%	4.60%		-	xia2	99.60%	10.8	APS (23-ID-B)	REFMAC	2020-10-15	33208735	-	-	-	-	N/A	-	-	3C-like proteinase	12.5	-		No	-		37.4	12.6	45.8		-
7a4n	2.75 Å	2020-10-28	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-10-21	33431842	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7acs	-	2020-11-04	NMR	-	SARS-CoV-2	Nucleocapsid/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(PGPUPCPAPGPUPG)-3'); RNA (5'-R(PCPAPCPUPGPAPC)-3')	-		-	-	()		2020-08-20	33264373	-	-	-	-	N/A	-	A hybrid of experimental (protein) and modeling (nucleic acid) components	Nucleoprotein; RNA (5'-R(PCPAPCPUPGPAPC)-3'); RNA (5'-R(PGPUPCPAPGPUPG)-3')	N/A	hybrid		No	-		N/A	N/A	N/A	RNA (5'-R(PCPAPCPUPGPAPC)-3'); RNA (5'-R(PGPUPCPAPGPUPG)-3')	-
7ad1	2.92 Å	2020-11-04	Cryo-EM	NAG	HIV-1/SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-11	33431842	-	-	-	-	N/A	-	-	Spike glycoprotein,Envelope glycoprotein,Spike glycoprotein,Envelope glycoprotein,SARS-CoV-2 S protein	N/A	-		No	-		N/A	N/A	N/A		-
7cxm	2.90 Å	2020-11-04	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (25-MER); RNA (5'-R(PUPUPUPUPUPU)-3'); RNA (26-MER)	-		-	-	()	PHENIX	2020-09-14	33208736	ZN	-	-	-	N/A	-	-	nsp12 - UNP residues 4393-5324; nsp8 - UNP residues 3943-4140; nsp7 - UNP residues 3860-3942; RNA (25-MER); RNA (26-MER); RNA (5'-R(PUPUPUPUPUPU)-3'); nsp13 - UNP residues 5325-5925	N/A	-		No	-		N/A	N/A	N/A	RNA (25-MER); RNA (5'-R(PUPUPUPUPUPU)-3'); RNA (26-MER)	-
7cxn	3.84 Å	2020-11-04	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(PUPUPUPUPUPU)-3'); Template RNA; Primer RNA	-		-	-	()	PHENIX	2020-09-02	33208736	ZN	-	-	-	N/A	-	-	nsp12 - UNP residues 4393-5324; nsp8 - UNP residues 3943-4140; nsp7 - UNP residues 3860-3942; Primer RNA; Template RNA; RNA (5'-R(PUPUPUPUPUPU)-3'); nsp13 - UNP residues 5325-5925	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(PUPUPUPUPUPU)-3'); Primer RNA; Template RNA	-
7d6h	1.60 Å	2020-11-04	X-ray	PO4	SARS-CoV-2	NSP3: PLpro	No functional ligands	16.18%	17.34%	7.70%	PHOSPHATE ION	PHOSPHATE ION	XDS	99.99%	20.6	SSRF (BL17U1)	PHENIX	2020-09-02	33979649	ZN	-	-	-	N/A	-	-	Papain-like protease	79.6	-		No	-		94.3	50.1	97.1		-
7kdg	3.01 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-05	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain	N/A	-		No	-		N/A	N/A	N/A		-
7kdh	3.33 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-08	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain	N/A	-		No	-		N/A	N/A	N/A		-
7kdi	3.26 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-08	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain	N/A	-		No	-		N/A	N/A	N/A		-
7kdj	3.49 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-08	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain	N/A	-		No	-		N/A	N/A	N/A		-
7kdk	2.80 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-08	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain	N/A	-		No	-		N/A	N/A	N/A		-
7kdl	2.96 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-08	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain	N/A	-		No	-		N/A	N/A	N/A		-
7ke4	3.21 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-08	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ke6	3.10 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-10	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ke7	3.32 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-10	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ke8	3.26 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-10	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ke9	3.08 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-10	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kea	3.33 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-10	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7keb	3.48 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-10	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kec	3.84 Å	2020-11-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-10	33417835	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7c33	3.83 Å	2020-11-04	X-ray	APR	SARS-CoV-2	NSP3: Macro	Functional ligand	23.49%	26.82%	16.30%	ADENOSINE-5-DIPHOSPHORIBOSE	ADENOSINE-5-DIPHOSPHORIBOSE	HKL-2000	97.70%	7.68	NSRRC (TPS 05A)	PHENIX	2020-10-10	32946224	-	-	-	-	N/A	-	-	Macro domain from non-structural protein 3	40.7	-		No	-		20.7	89.6	46.9		-
7cjf	2.11 Å	2020-11-11	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	18.46%	22.85%	9.10%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	92.70%	7.9	SSRF (BL17U)	PHENIX	2020-05-11	33976198	-	-	-	-	N/A	-	-	antibody heavy chain; antibody light chain; Spike glycoprotein - receptor binding domain, RBD	47.3	-		No	-		56.6	56.9	56.3		-
7cz4	2.64 Å	2020-11-11	X-ray	APR	SARS-CoV-2	NSP3: Macro	Functional ligand	17.10%	21.50%	10.70%	ADENOSINE-5-DIPHOSPHORIBOSE	ADENOSINE-5-DIPHOSPHORIBOSE	HKL-2000	100.00%	37.91	NSRRC (TPS 05A)	PHENIX	2020-07-10	32946224	-	-	-	-	N/A	-	-	Macro domain from non-structural protein 3	71.6	-		No	-		69.7	93.6	56.0		-
7d4f	2.57 Å	2020-11-11	Cryo-EM	H3U	SARS-CoV-2	NSP7/NSP8/NSP12	Functional ligand	N/A	N/A	N/A	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid	8-(3-(3-aminobenzamido)-4-methylbenzamido)naphthalene-1,3,5-trisulfonic acid		-	-	()	PHENIX	2020-09-07	33674802	ZN	-	-	-	N/A	-	-	Non-structural protein 8; Non-structural protein 7; Non-structural protein 12	N/A	-		No	-		N/A	N/A	N/A		-
7kip	3.39 Å	2020-11-11	Cryo-EM	NAG	H-CoV-NL63	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-23	32817943	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kj2	3.60 Å	2020-11-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-10-24	33432247	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7kj3	3.70 Å	2020-11-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-10-25	33432247	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7kj4	3.40 Å	2020-11-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-10-25	33432247	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7kj5	3.60 Å	2020-11-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-10-25	33432247	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kkk	3.03 Å	2020-11-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-25	33154106	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; Synthetic nanobody Nb6	N/A	-		No	-		N/A	N/A	N/A		-
7kkl	2.85 Å	2020-11-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-27	33154106	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; Synthetic nanobody mNb6	N/A	-		No	-		N/A	N/A	N/A		-
7kl9	4.10 Å	2020-11-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-10-27	33154107	-	-	-	-	N/A	-	-	Spike glycoprotein; CTC-445.2 inhibitor	N/A	-		No	-		N/A	N/A	N/A		-
7cdi	2.96 Å	2020-11-11	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	20.20%	25.38%	15.50%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.68%	10.1	SSRF (BL17U)	PHENIX	2020-10-29	33431856	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain; antibody P2C-1F11 heavy chain; antibody P2C-1F11 light chain	30.3	-		No	-		31.9	69.1	35.5		-
7cdj	3.40 Å	2020-11-18	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	23.14%	27.09%	11.80%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.74%	8.8	SSRF (BL17U)	PHENIX	2020-06-19	33431856	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain; antibody P2C-1A3 heavy chain; antibody P2C-1A3 light chain	1.4	-		No	-		19.1	12.3	17.7		-
7ct5	4.00 Å	2020-11-18	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-06-19	33177651	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7kjr	2.08 Å	2020-11-18	Cryo-EM	PEE	SARS-CoV-2	ORF3a	Protein-protein complex	N/A	N/A	N/A	1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine	1,2-Dioleoyl-sn-glycero-3-phosphoethanolamine		-	-	()	PHENIX; phenix.real_space_refine	2020-08-18	34158638	-	-	-	-	N/A	-	-	Protein 3a; Apolipoprotein A-I - UNP residues 79-267	N/A	-		No	-		N/A	N/A	N/A		-
7koa	2.40 Å	2020-11-18	X-ray	GTA, SAM	SARS-CoV-2	NSP10/NSP16	Protein-protein complex	23.39%	27.66%	12.90%	P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; S-ADENOSYLMETHIONINE	P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; S-ADENOSYLMETHIONINE	Precognition	65.85%	16.5	APS (14-ID-B)	REFMAC	2020-10-26	-	ZN	-	http://covid19.bioreproducibility.org/static/data/7koa/7koa_refined.pdb	http://covid19.bioreproducibility.org/static/data/7koa/7koa_refined.mtz	0.28%	Placed the coordinates in a standardized location in the unit cell using ACHESYM.	Two nice ligands and one with weak density (A303), but I would not remodel. Both Zn ions look very good. Weak density for B131-139, but nothing to fix.	2'-O-methyltransferase; Non-structural protein 10	49.8	minimal	Yes	Yes	-	-	15.9	73.2	85.6		-
7koj	2.02 Å	2020-11-18	X-ray	Y94, MES, UNX	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.32%	20.27%	13.10%	2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide; UNKNOWN ATOM OR ION; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]-5-{[(prop-2-en-1-yl)carbamoyl]amino}benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID; UNKNOWN ATOM OR ION	HKL-3000	99.90%	6.1	APS (19-ID)	REFMAC	2020-11-07	-	ZN	-	-	-	N/A	-	-	Papain-like protease	41.3	-		No		-	79.9	17.6	61.0		-
7kok	2.00 Å	2020-11-18	X-ray	Y96, MES, UNX	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.40%	21.06%	13.80%	5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID; UNKNOWN ATOM OR ION	5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID; UNKNOWN ATOM OR ION	HKL-3000	99.90%	6.3	APS (19-ID)	REFMAC	2020-11-09	-	ZN	-	-	-	N/A	-	-	Papain-like protease	49.3	-		No		-	73.6	24.7	75.4		-
7kol	2.58 Å	2020-11-18	X-ray	Y96, MES	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.75%	20.61%	9.80%	5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	5-[(E)-(hydroxyimino)methyl]-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	HKL-3000	100.00%	6.8	APS (19-ID)	REFMAC	2020-11-09	-	ZN	-	-	-	N/A	-	-	Papain-Like Protease	51.3	-		No		-	77.2	29.8	70.5		-
7kph	1.46 Å	2020-11-18	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.70%	18.09%	4.90%		-	XDS	94.90%	12.8	LNLS SIRUS (MANACA)	PHENIX	2020-11-09	34174328	-	-	-	-	N/A	-	-	3C-like proteinase	79.0	-		No	-		91.8	78.7	68.8		-
5s6x	2.32 Å	2020-11-18	X-ray	WUG	SARS-CoV-2	NSP15	PanDDA fragment screening	18.37%	22.18%	29.10%	1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine	1-(2,4-dimethyl-1H-imidazol-5-yl)methanamine	XDS	100.00%	6.6	Diamond (I04-1)	BUSTER	2020-11-11	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	74.4	-		No	-		63.4	87.7	75.2		-
5s6y	2.32 Å	2020-11-25	X-ray	WUJ	SARS-CoV-2	NSP15	PanDDA fragment screening	20.93%	25.37%	31.00%	N-[(furan-2-yl)methyl]urea	N-[(furan-2-yl)methyl]urea	XDS	100.00%	5.9	Diamond (I04-1)	BUSTER	2020-11-13	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	58.3	-		No	-		32.0	87.7	71.4		-
5s6z	2.28 Å	2020-11-25	X-ray	WUM	SARS-CoV-2	NSP15	PanDDA fragment screening	19.09%	22.23%	45.10%	4-[(dimethylamino)methyl]-1,3-thiazol-2-amine	4-[(dimethylamino)methyl]-1,3-thiazol-2-amine	XDS	100.00%	5.0	Diamond (I04-1)	BUSTER	2020-11-13	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	71.6	-		No	-		62.8	79.0	77.4		-
5s70	2.33 Å	2020-11-25	X-ray	WUS	SARS-CoV-2	NSP15	PanDDA fragment screening	18.20%	22.76%	29.20%	(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine	(5R)-2-methyl-4,5,6,7-tetrahydro-1H-benzimidazol-5-amine	XDS	99.90%	6.6	Diamond (I04-1)	BUSTER	2020-11-13	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	70.3	-		No	-		57.5	83.2	75.6		-
5s71	1.94 Å	2020-11-25	X-ray	WUV	SARS-CoV-2	NSP15	PanDDA fragment screening	18.40%	21.47%	21.40%	5'-thiothymidine	5'-thiothymidine	XDS	100.00%	6.4	Diamond (I04-1)	BUSTER	2020-11-13	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	73.6	-		No	-		70.1	79.0	75.1		-
5s72	2.51 Å	2020-11-25	X-ray	WUY	SARS-CoV-2	NSP15	PanDDA fragment screening	21.10%	27.67%	38.70%	N-(2-aminoethyl)-N'-phenylurea	N-(2-aminoethyl)-N'-phenylurea	XDS	99.60%	4.5	Diamond (I04-1)	BUSTER	2020-11-13	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	38.3	-		No	-		15.8	90.0	46.9		-
7a25	3.06 Å	2020-11-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-13	33149112	-	-	-	-	N/A	-	-	Spike glycoprotein; Sybody 23	N/A	-		No	-		N/A	N/A	N/A		-
7ddd	3.00 Å	2020-11-25	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-08-16	33431876	-	-	-	-	N/A	-	-	Spike glycoprotein - UNP residues 1-1208	N/A	-		No	-		N/A	N/A	N/A		-
7ddn	6.30 Å	2020-11-25	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-10-28	33431876	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jwy	2.50 Å	2020-11-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-10-29	33271067	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
5rl0	1.69 Å	2020-11-25	X-ray	VEG	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.74%	21.40%	9.70%	ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate	ethyl N-[(2R)-2-[(4-tert-butylphenyl)(propanoyl)amino]-2-(pyridin-3-yl)acetyl]-beta-alaninate	XDS	99.40%	7.4	Diamond (I04-1)	BUSTER	2020-08-26	-	-	-	-	-	N/A	-	-	3C-like proteinase	68.0	-		No	-	-	70.6	55.9	84.8		-
5rl1	1.65 Å	2020-12-02	X-ray	VEJ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.19%	21.03%	11.70%	N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-(4-tert-butylphenyl)-N-[(1R)-2-[(3-methoxypropyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	XDS	98.80%	6.1	Diamond (I04-1)	BUSTER	2020-08-05	-	-	-	-	-	N/A	-	-	3C-like proteinase	70.6	-		No	-	-	73.8	73.6	69.6		-
5rl2	1.48 Å	2020-12-02	X-ray	VEM	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.81%	19.99%	7.30%	N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-(4-tert-butylphenyl)-N-[(1R)-2-[(2-methoxyethyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	XDS	95.60%	7.9	Diamond (I04-1)	BUSTER	2020-08-05	-	-	-	-	-	N/A	-	-	3C-like proteinase	64.8	-		No	-	-	81.8	48.6	73.9		-
5rl3	1.51 Å	2020-12-02	X-ray	VEP	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.71%	20.49%	7.50%	N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-(4-tert-butylphenyl)-N-[(1R)-2-[(oxan-4-yl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	XDS	99.00%	7.4	Diamond (I04-1)	BUSTER	2020-08-05	-	-	-	-	-	N/A	-	-	3C-like proteinase	66.0	-		No	-	-	78.3	48.6	80.0		-
5rl4	1.53 Å	2020-12-02	X-ray	VEV	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.95%	20.52%	8.40%	N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-(4-tert-butylphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	XDS	98.70%	7.1	Diamond (I04-1)	BUSTER	2020-08-05	-	-	-	-	-	N/A	-	-	3C-like proteinase	62.9	-		No	-	-	77.9	48.6	73.9		-
5rl5	1.58 Å	2020-12-02	X-ray	VEY	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.42%	21.74%	7.50%	N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-(4-tert-butylphenyl)-N-[(1R)-2-(ethylamino)-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	XDS	99.50%	7.5	Diamond (I04-1)	BUSTER	2020-08-05	-	-	-	-	-	N/A	-	-	3C-like proteinase	70.0	-		No	-	-	67.6	55.9	92.2		-
6z5t	1.57 Å	2020-12-02	X-ray	APR, NA	SARS-CoV-2	NSP3: Macro	Functional ligand	20.94%	24.93%	N/A	SODIUM ION; ADENOSINE-5-DIPHOSPHORIBOSE	ADENOSINE-5-DIPHOSPHORIBOSE; SODIUM ION	xia2	100.00%	4.1	Diamond (I03)	PHENIX	2020-08-05	33202171	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	53.5	-		No	-		35.8	81.2	64.8		-
6z6i	2.00 Å	2020-12-02	X-ray	A1R, NA, MPO	SARS-CoV-2	NSP3: Macro	Functional ligand	22.89%	27.86%	29.90%	3[N-MORPHOLINO]PROPANE SULFONIC ACID; SODIUM ION; 5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE	5'-O-[(S)-{[(S)-{[(2R,3R,4S)-3,4-DIHYDROXYPYRROLIDIN-2-YL]METHOXY}(HYDROXY)PHOSPHORYL]OXY}(HYDROXY)PHOSPHORYL]ADENOSINE; SODIUM ION; 3[N-MORPHOLINO]PROPANE SULFONIC ACID	xia2	99.90%	2.6	Diamond (I03)	PHENIX	2020-05-27	33202171	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	27.9	-		No	-		14.8	64.1	52.6		-
6z72	2.30 Å	2020-12-02	X-ray	A3R, NA, MLT	SARS-CoV-2	NSP3: Macro	Functional ligand	21.80%	26.32%	16.40%	D-MALATE; Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol	Adenosine Diphosphate (Hydroxymethyl)pyrrolidine monoalcohol; SODIUM ION; D-MALATE	xia2	99.90%	3.2	Diamond (I03)	PHENIX	2020-05-28	33202171	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	50.2	-		No	-		24.2	81.2	70.2		-
7a1u	1.67 Å	2020-12-02	X-ray	FUA, IMD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.28%	20.42%	7.50%	FUSIDIC ACID; IMIDAZOLE	FUSIDIC ACID; IMIDAZOLE	DIALS	99.87%	8.5	PETRA III, DESY (P11)	REFMAC; PHENIX	2020-05-29	33811162	-	-	-	-	N/A	-	-	Main Protease	70.5	-		No	-		78.7	56.0	82.2		-
7abu	1.60 Å	2020-12-02	X-ray	R6Q, IMD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.66%	21.51%	N/A	IMIDAZOLE; 1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one	1'-[2-[4-(trifluoromethyl)phenyl]ethyl]spiro[1~{H}-3,1-benzoxazine-4,4'-piperidine]-2-one; IMIDAZOLE	XDS; DIALS	99.60%	5.85	PETRA III, DESY (P11)	PHENIX	2020-08-14	33811162	-	-	-	-	N/A	-	-	Main Protease	76.7	-		No	-		69.6	83.7	79.2		-
7adw	1.63 Å	2020-12-02	X-ray	R7Q, IMD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.63%	22.87%	9.50%	2-methyl-1-(4-methylphenyl)propan-1-one; IMIDAZOLE	2-methyl-1-(4-methylphenyl)propan-1-one; IMIDAZOLE	XDS	97.60%	7.6	PETRA III, DESY (P11)	PHENIX	2020-09-08	33811162	-	-	-	-	N/A	-	-	Main Protease	63.2	-		No	-		56.4	73.6	71.2		-
7af0	1.70 Å	2020-12-02	X-ray	R9W	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.76%	22.50%	N/A	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine	2,3,5,6,7,8-hexahydro-1~{H}-cyclopenta[b]quinolin-9-amine	XDS	99.73%	6.05	PETRA III, DESY (P11)	REFMAC	2020-09-16	33811162	-	-	-	-	N/A	-	-	Main Protease	63.7	-		No	-		60.1	60.2	81.8		-
7aga	1.68 Å	2020-12-02	X-ray	LZE	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.58%	22.25%	N/A	4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide	4-{[(2,6-dichlorophenyl)carbonyl]amino}-N-piperidin-4-yl-1H-pyrazole-3-carboxamide	XDS	97.80%	9.01	PETRA III, DESY (P11)	PHENIX; REFMAC	2020-09-18	33811162	-	-	-	-	N/A	-	-	Main Protease	74.2	-		No	-		62.7	78.7	84.5		-
7aha	1.68 Å	2020-12-02	X-ray	SIN	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.55%	20.11%	7.20%	SUCCINIC ACID	SUCCINIC ACID	DIALS	96.70%	9.5	PETRA III, DESY (P11)	PHENIX; REFMAC	2020-09-22	33811162	-	-	-	-	N/A	-	-	Main Protease	83.5	-		No	-		80.9	83.7	92.6		-
7ak4	1.63 Å	2020-12-02	X-ray	CB1	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.33%	22.05%	N/A	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	5-(AZIRIDIN-1-YL)-2,4-DINITROBENZAMIDE	XDS	98.50%	6.79	PETRA III, DESY (P11)	MAIN	2020-09-24	33811162	-	-	-	-	N/A	-	-	Main Protease	39.0	-		No	-		64.6	45.6	43.7		-
7alh	1.65 Å	2020-12-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.47%	18.90%	5.60%		-	XDS	99.70%	12.3	ELETTRA (11.2C)	PHENIX; PHENIX	2020-09-29	34769210	-	-	-	-	N/A	-	-	Main Protease	82.9	-		No	-		88.2	68.7	97.1		-
7ali	1.65 Å	2020-12-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.88%	21.67%	6.90%		-	XDS	98.40%	9.8	ELETTRA (11.2C)	PHENIX; PHENIX	2020-10-06	34769210	-	-	-	-	N/A	-	-	Main Protease	71.7	-		No	-		68.3	62.2	89.1		-
7amj	1.59 Å	2020-12-02	X-ray	RMZ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.30%	21.04%	9.20%	(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one	(3~{S})-3-[2-[4-(3,4-dimethylphenyl)piperazin-1-yl]ethyl]-2,3-dihydroisoindol-1-one	DIALS	99.80%	6.4	PETRA III, DESY (P11)	PHENIX; REFMAC	2020-10-06	33811162	-	-	-	-	N/A	-	-	Main Protease	78.9	-		No	-		73.7	73.6	91.9		-
7ans	1.70 Å	2020-12-02	X-ray	RNW	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.35%	21.14%	N/A	2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide	2-[(diphenylmethyl)-oxidanyl-$l^{3}-sulfanyl]-~{N}-oxidanyl-ethanamide	DIALS	99.70%	7.51	PETRA III, DESY (P11)	PHENIX	2020-10-09	33811162	-	-	-	-	N/A	-	-	Main Protease	67.8	-		No	-		72.9	56.1	81.9		-
7aol	1.47 Å	2020-12-02	X-ray	IMD, RQH	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.54%	19.24%	N/A	IMIDAZOLE; (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one	IMIDAZOLE; (1~{S})-1-(4-chloranylphenoxy)-1-imidazol-1-yl-3,3-dimethyl-butan-2-one	DIALS; XDS	99.67%	14.61	PETRA III, DESY (P11)	PHENIX; REFMAC	2020-10-12	33811162	-	-	-	-	N/A	-	-	ORF1ab polyprotein	67.7	-		No	-		86.5	68.9	55.3		-
7ap6	1.78 Å	2020-12-02	X-ray	RQN	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.78%	23.66%	N/A	4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide	4-(4-ethyl-5-fluoranyl-2-oxidanyl-phenoxy)-3-fluoranyl-benzamide	DIALS	99.70%	4.46	PETRA III, DESY (P11)	PHENIX	2020-10-14	33811162	-	-	-	-	N/A	-	-	Main Protease	52.2	-		No	-		48.3	64.4	66.6		-
7aph	1.65 Å	2020-12-02	X-ray	RT2	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.45%	26.63%	N/A	Tofogliflozin	Tofogliflozin	XDS	96.00%	5.36	PETRA III, DESY (P11)	MAIN	2020-10-16	33811162	-	-	-	-	N/A	-	-	Main Protease	11.1	-		No	-		22.0	29.4	40.3		-
7aqi	1.70 Å	2020-12-02	X-ray	QEL, IMD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.60%	26.56%	N/A	IMIDAZOLE; 4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol	4-[(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol; IMIDAZOLE	XDS	98.49%	4.35	PETRA III, DESY (P11)	REFMAC	2020-10-16	33811162	-	-	-	-	N/A	-	-	Main Protease	40.7	-		No	-		22.6	83.7	51.0		-
7aqj	2.59 Å	2020-12-02	X-ray	S7H, RV8	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.74%	25.96%	N/A	Triglycidyl isocyanurate; 1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione	1-[(2~{R})-2-oxidanylpropyl]-3-[[(2~{R})-oxiran-2-yl]methyl]-5-[[(2~{S})-oxiran-2-yl]methyl]-1,3,5-triazinane-2,4,6-trione; Triglycidyl isocyanurate	DIALS	99.40%	4.95	PETRA III, DESY (P11)	PHENIX	2020-10-21	33811162	-	-	-	-	N/A	-	-	Main Protease	34.6	-		No	-		26.9	42.6	75.7		-
7ar5	1.40 Å	2020-12-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.57%	21.37%	N/A		-	XDS	95.50%	10.2	PETRA III, DESY (P11)	PHENIX	2020-10-22	33811162	-	-	-	-	N/A	-	-	SARS coronavirus 2 main proteinase	65.7	-		No	-		70.9	55.9	79.4		-
7ar6	1.40 Å	2020-12-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.53%	19.04%	N/A		-	XDS	99.50%	11.56	PETRA III, DESY (P11)	PHENIX	2020-10-23	33811162	-	-	-	-	N/A	-	-	Main Protease	80.9	-		No	-		87.5	73.6	84.9		-
7arf	2.00 Å	2020-12-02	X-ray	RVW	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.50%	25.27%	5.90%	(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol	(2~{S},3~{R},4~{R},5~{S},6~{S})-2-(hydroxymethyl)-6-sulfanyl-oxane-3,4,5-triol	XDS	99.50%	12.0	PETRA III, DESY (P11)	PHENIX	2020-10-23	33811162	-	-	-	-	N/A	-	-	Main Protease	53.4	-		No	-		32.9	73.4	75.3		-
7avd	1.80 Å	2020-12-02	X-ray	S1W	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.42%	23.87%	15.70%	3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol	3-[[5-[3-(dimethylamino)phenoxy]pyrimidin-2-yl]amino]phenol	XDS	99.50%	5.6	PETRA III, DESY (P11)	PHENIX	2020-10-24	33811162	-	-	-	-	N/A	-	-	Main Protease	48.5	-		No	-		46.2	60.2	65.8		-
7awr	1.34 Å	2020-12-02	X-ray	S7W	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.19%	19.21%	N/A	TEGAFUR	TEGAFUR	DIALS	98.88%	11.78	PETRA III, DESY (P11)	PHENIX	2020-11-05	33811162	-	-	-	-	N/A	-	-	Main Protease	55.4	-		No	-		86.6	21.1	77.7		-
7aws	1.81 Å	2020-12-02	X-ray	S8E	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.13%	23.85%	12.00%	5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine	5-[[(2-bromoethylamino)-(ethylamino)phosphoryl]oxymethyl]-1-methyl-~{N},~{N}-bis(oxidanyl)imidazol-2-amine	DIALS	100.00%	5.0	PETRA III, DESY (P11)	PHENIX	2020-11-09	33811162	-	-	-	-	N/A	-	-	Main Protease	67.3	-		No	-		46.4	73.6	89.7		-
7awu	2.07 Å	2020-12-02	X-ray	S8B	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.46%	25.84%	N/A	~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide	~{N}-propan-2-yl-5-(2-pyridin-4-ylethynyl)pyridine-2-carboxamide	DIALS	99.80%	4.29	PETRA III, DESY (P11)	PHENIX	2020-11-09	33811162	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	37.5	-		No	-		27.9	56.0	67.2		-
7aww	1.65 Å	2020-12-02	X-ray	CLU	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.36%	21.98%	N/A	2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE	2,6-DICHLORO-N-IMIDAZOLIDIN-2-YLIDENEANILINE	DIALS	97.40%	12.5	PETRA III, DESY (P11)	REFMAC; PHENIX	2020-11-09	33811162	-	-	-	-	N/A	-	-	Main Protease	63.8	-		No	-		65.4	73.8	63.3		-
7ax6	1.95 Å	2020-12-02	X-ray	S8H, IMD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.73%	24.85%	N/A	(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid; IMIDAZOLE	(2~{S})-2-azanyl-5-oxidanylidene-5-[[(2~{S})-1-oxidanylidene-1-[(2-oxidanylidene-2-propan-2-yloxy-ethyl)amino]-3-sulfanyl-propan-2-yl]amino]pentanoic acid; IMIDAZOLE	DIALS	98.27%	10.27	PETRA III, DESY (P11)	PHENIX	2020-11-09	33811162	-	-	-	-	N/A	-	-	Main Protease	50.2	-		No	-		36.7	78.7	60.0		-
7axm	1.40 Å	2020-12-02	X-ray	93J, IMD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	14.28%	20.95%	N/A	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide	(2E)-N-{4-[(3-chloro-4-fluorophenyl)amino]-3-cyano-7-ethoxyquinolin-6-yl}-4-(dimethylamino)but-2-enamide; IMIDAZOLE	DIALS	98.59%	10.07	PETRA III, DESY (P11)	PHENIX; PHENIX	2020-11-09	33811162	-	-	-	-	N/A	-	-	Main Protease	58.3	-		No	-		74.5	37.5	79.1		-
7axo	1.65 Å	2020-12-02	X-ray	QCP	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.75%	20.05%	N/A	AR-42	AR-42	XDS	87.82%	11.82	PETRA III, EMBL c/o DESY (P14 (MX2))	PHENIX	2020-11-09	33811162	-	-	-	-	N/A	-	-	Main Protease	74.7	-		No	-		81.4	52.3	93.5		-
7ay7	1.55 Å	2020-12-02	X-ray	S8T, IMD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.62%	19.50%	N/A	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine; IMIDAZOLE	9-fluoranyl-3-propan-2-yl-5,6-dihydrobenzo[b][1]benzothiepine; IMIDAZOLE	DIALS	98.96%	13.75	PETRA III, DESY (P11)	REFMAC; PHENIX	2020-11-10	33811162	-	-	-	-	N/A	-	-	Main Protease	78.5	-		No	-		84.9	83.7	69.2		-
7dcc	4.30 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-11-11	33431876	-	-	-	-	N/A	-	-	The heavy chain of 3C1 fab; SARC-CoV2 S protein; The light chain of 3C1 fab	N/A	-		No	-		N/A	N/A	N/A		-
7dcx	5.90 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-10-24	33431876	-	-	-	-	N/A	-	-	The heavy chain of 3C1 fab that binds with the up RBD; SARS-Cov2 S protein; The light chain of 3C1 fab	N/A	-		No	-		N/A	N/A	N/A		-
7dd2	5.60 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-10-27	33431876	-	-	-	-	N/A	-	-	SARS-Cov2-S protein; The heavy chain of 3C1 fab; The light chain of 3C1 fab	N/A	-		No	-		N/A	N/A	N/A		-
7dd8	7.50 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-10-27	33431876	-	-	-	-	N/A	-	-	The heavy chain of 3C1 fab; The light chain of 3C1 chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dk4	3.80 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-10-28	33431876	-	-	-	-	N/A	-	-	The heavy chain of 2H2 Fab; The light chain of 2H2 Fab; SARS-CoV-2 S protein	N/A	-		No	-		N/A	N/A	N/A		-
7dk5	13.50 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-11-23	33431876	-	-	-	-	N/A	-	-	SARS-CoV-2 S protein; The heavy chain of 2H2 Fab; The light chain of 2H2 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7dk6	4.30 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-11-23	33431876	-	-	-	-	N/A	-	-	SARS-CoV-2 S protein; The heavy chain of 2H2 Fab; The light chain of 2H2 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7dk7	9.70 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-11-23	33431876	-	-	-	-	N/A	-	-	The heavy chain fragment of 2H2 Fab; The light chain fragment of 2H2 Fab; SARS-CoV-2 S protein	N/A	-		No	-		N/A	N/A	N/A		-
7jqb	2.70 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	NSP1	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-11-23	33188728	-	-	-	-	N/A	-	-	rRNA; uS7; eS31; eS6; RACK1; eS7; eS8; uS4; S10_plectin domain-containing protein; eS12; uS19; eS25; Uncharacterized protein; eS17; uS13; Uncharacterized protein; uS10; 40S ribosomal protein S21; 40S ribosomal protein S24; Nsp1 - UNP residues 145-180; 40S ribosomal protein S4; uS17; 40S ribosomal protein SA; uS15; Uncharacterized protein; uS8; Uncharacterized protein; eS27; 40S ribosomal protein S26; eS1; uS5; eS28; Ribosomal protein S3; eS30	N/A	-		No	-		N/A	N/A	N/A		-
7jqc	3.30 Å	2020-12-02	Cryo-EM	-	SARS-CoV-2	NSP1	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-08-10	33188728	-	-	-	-	N/A	-	-	rRNA; uS7; eS31; eS6; RACK1; eS7; eS8; uS4; S10_plectin domain-containing protein; eS12; uS19; eS25; Uncharacterized protein; eS17; uS13; Uncharacterized protein; uS10; 40S ribosomal protein S21; 40S ribosomal protein S24; Nsp1 - UNP residues 145-180; Cricket paralysis virus IRES RNA; 40S ribosomal protein S4; 40S ribosomal protein SA; uS17; uS15; Uncharacterized protein; uS8; Uncharacterized protein; eS27; 40S ribosomal protein S26; eS1; uS5; eS28; Ribosomal protein S3; eS30	N/A	-		No	-		N/A	N/A	N/A		-
7jvb	3.29 Å	2020-12-02	X-ray	CAC	SARS-CoV-2	Spike	Functional ligand	28.13%	32.22%	15.60%	CACODYLATE ION	CACODYLATE ION	HKL-2000	96.34%	7.8	APS (23-ID-B)	PHENIX	2020-08-10	33154108	-	-	-	-	N/A	-	-	Spike glycoprotein; Nanobody Nb20	11.1	-		No	-		4.8	54.7	32.2		-
7keg	2.90 Å	2020-12-02	X-ray	PO4	SARS-CoV-2	NSP15	Functional ligand	17.50%	21.80%	57.20%	PHOSPHATE ION	PHOSPHATE ION	XDS	99.10%	5.0	LNLS SIRUS (MANACA)	BUSTER	2020-08-20	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	55.8	-		No	-		66.9	70.3	49.0		-
7keh	2.59 Å	2020-12-02	X-ray	B3P	SARS-CoV-2	NSP15	Functional ligand	18.70%	22.00%	103.10%	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	XDS	94.80%	7.6	MAX IV (BioMAX)	BUSTER	2020-10-10	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	43.1	-		No	-		65.0	48.9	48.1		-
7kf4	2.61 Å	2020-12-02	X-ray	-	SARS-CoV-2	NSP15	No functional ligands	21.90%	24.60%	N/A		-	XDS	99.73%	8.24	MAX IV (BioMAX)	BUSTER	2020-10-10	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	51.7	-		No	-		39.0	81.2	58.2		-
7kfv	2.10 Å	2020-12-02	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	18.30%	21.55%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.90%	8.98	APS (24-ID-E)	BUSTER	2020-10-13	33200128	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of antibody C1A-B12 Fab; light chain of antibody C1A-B3 Fab	64.0	-		No	-		69.4	51.8	81.6		-
7kfw	2.79 Å	2020-12-02	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	18.93%	22.93%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.10%	5.41	APS (24-ID-E)	BUSTER	2020-10-15	33200128	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain of antibody C1A-B3 Fab; light chain of antibody C1A-B3 Fab	34.6	-		No	-		55.7	36.6	52.9		-
7kfx	2.23 Å	2020-12-02	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	19.09%	22.61%	13.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.10%	6.86	APS (24-ID-C)	BUSTER	2020-10-15	33200128	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain of human antibody C1A-C2 Fab; light chain of human antibody C1A-C2 Fab	56.1	-		No	-		59.0	50.2	77.6		-
7kfy	2.16 Å	2020-12-02	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	20.54%	24.86%	11.80%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	94.00%	6.17	APS (24-ID-C)	BUSTER	2020-10-15	33200128	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain of human antibody C1A-F10 Fab; light chain of human antibody C1A-F10 Fab	50.1	-		No	-		36.6	55.3	83.2		-
7krx	2.72 Å	2020-12-02	X-ray	Y41, UNX	SARS-CoV-2	NSP3: PLpro	Functional ligand	20.97%	24.90%	17.30%	UNKNOWN ATOM OR ION; 3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide	3-amino-2-methyl-N-[(1R)-1-(naphthalen-1-yl)ethyl]benzamide; UNKNOWN ATOM OR ION	HKL-3000	100.00%	6.3	APS (19-ID)	REFMAC	2020-10-15	-	ZN	-	-	-	N/A	-	-	Papain-like protease	43.7	-		No	-	-	36.0	64.7	62.2		-
7cyq	2.83 Å	2020-12-02	Cryo-EM	GDP	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12/NSP13	Functional ligand	N/A	N/A	N/A	GUANOSINE-5'-DIPHOSPHATE; Template; Primer	GUANOSINE-5'-DIPHOSPHATE		-	-	()	PHENIX	2020-11-20	33232691	ZN; MG	-	-	-	N/A	-	-	Replicase polyprotein 1ab - UNP residues 4393-5324; nsp8 - UNP residues 3943-4140; nsp7 - UNP residues 3860-3942; Primer; Template; Replicase polyprotein 1ab - UNP residues 5325-5925; Replicase polyprotein 1ab - UNP residues 4141-4253	N/A	-		No	-		N/A	N/A	N/A		-
7k0r	3.30 Å	2020-12-09	Cryo-EM	U5P, PO4	SARS-CoV-2	NSP15	Functional ligand	N/A	N/A	N/A	PHOSPHATE ION; URIDINE-5'-MONOPHOSPHATE	URIDINE-5'-MONOPHOSPHATE; PHOSPHATE ION		-	-	()	phenix.real_space_refine; PHENIX	2020-09-04	33504779	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	N/A	-		No	-		N/A	N/A	N/A		-
7kmb	3.39 Å	2020-12-09	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-04	33271067	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kms	3.64 Å	2020-12-09	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-02	33271067	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; SARS-CoV-2 spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kmz	3.62 Å	2020-12-09	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-03	33271067	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7knb	3.93 Å	2020-12-09	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-03	33271067	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7kqo	0.85 Å	2020-12-09	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	12.03%	13.84%	4.30%		-	XDS	99.80%	13.58	ALS (8.3.1)	PHENIX	2020-11-04	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.1	-		No	-		99.2	67.4	76.7		-
7kqp	0.88 Å	2020-12-09	X-ray	AR6	SARS-CoV-2	NSP3: Macro	Functional ligand	10.76%	12.33%	5.70%	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	XDS	98.90%	13.26	NSLS-II (17-ID-2)	PHENIX	2020-11-17	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	73.4	-		No	-		99.8	43.7	80.4		-
7kqw	0.93 Å	2020-12-09	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	12.76%	14.70%	3.50%		-	XDS	91.90%	8.44	NSLS-II (17-ID-2)	PHENIX	2020-11-17	33853786	-	-	-	-	N/A	-	-	NSP3 - macrodomain (UNP residues 1024-1192)	67.2	-		No	-		98.6	34.4	76.6		-
7kr0	0.77 Å	2020-12-09	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	10.99%	11.72%	11.70%		-	XDS	93.00%	31.52	ALS (8.3.1)	PHENIX	2020-11-17	33853786	-	-	http://covid19.bioreproducibility.org/static/data/7kr0/7kr0_refined.pdb	http://covid19.bioreproducibility.org/static/data/7kr0/7kr0_refined.mtz	0.12%	Differences: - 2 GLU, 3 VAL first 2 visible residues are split at the main chain and go in 2 different ways - there is some evidence for this but this part is heavily disordered - 5 SER - they have 3 conformations - no see map for the third - 4 ASN to 5 PHE - main chain and side chains are split - no evidence - 12 LEU - 15 ASN - main chain and side chains are split - no evidence - 14 ASP - split - possible but map is weak - 20 ASN - side chain split very weak evidence - 25 GLU - side chain split some evidence - 28 LYS to 32 PRO - main chain split - without it is not possible to split 28 and 29 - 28 LYS - side chain split weak - 29 LYS - side chain split weak - 30 VAL - side chain split weak - 31 LYS - side chain split no evidence - 40 ASN - side chain split some evidence - 42 TYR - side chain split some evidence - with one and occ 1.0 Refmac already increased B-factors to 50 and there is positive density - 44 LYS - side chain split some evidence - 55 LYS - side chain split some evidence - 58 ASN - side chain split some evidence - 64 GLU - side chain split no evidence - 66 ASP - side chain split some evidence but 2 conformations are close and in coot refinement I can not separate them - 66 ASP and 67 ASP - main chain split - no evidence - 72 ASN - split - no evidence - 75 LEU - side chain split weak map - 76 LYS - side chain split in 3 parts, new model has 2 - some evidence - 77 VAL - split - no evidence - 75 LEU to 77 VAL - main chain split - no evidence - 82 VAL - side chain split no evidence - 83 LEU - side chain split no evidence - 86 HIS - side chain split some evidence - 88 LEU - side chain split some evidence - 86 HIS to 88 LEU - main chain split - no evidence maybe required for 88? - 100 VAL to 103 GLY - good evidence for main chain split - 103 to 111 - main chain split - no evidence - 108 GLU - side chain split no evidence - 119 HIS - side chain split no evidence - 126 LEU - main chain split (side chain split in both versions) - weak - 133 to 137 - good evidence for main chain split - except 133 GLY - 136 PRO - side chain split - requires main chain split - 141 ARG - side chain split - some evidence - 154 to 159 - main chain split - no evidence except for 156 that we also split - 156 PHE - split into 2 not 3 - 162 - 165 - main chain split - no evidence - 166 - 168 - good evidence for main chain split - 170 GLU - side chain split weak	alternative conformations with poor density fit	NSP3 - macrodomain (UNP residues 1024-1192)	85.2	minimal	Yes	Yes	-		99.9	95.7	71.1		-
7kr1	1.55 Å	2020-12-09	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	17.97%	22.14%	19.32%		-	DIALS	99.99%	9.07	ALS (8.3.1)	PHENIX	2020-11-18	33853786	-	-	-	-	N/A	-	-	NSP3 - macrodomain (UNP residues 1024-1192)	57.8	-		No	-		63.8	63.1	63.3		-
7kvl	2.09 Å	2020-12-09	X-ray	X4P, SER	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.12%	22.72%	16.10%	2-chloropyridine-4-carboxamide; SERINE	2-chloropyridine-4-carboxamide; SERINE	XDS	96.80%	10.0	LNLS SIRUS (MANACA)	PHENIX	2020-11-20	34174328	-	-	-	-	N/A	-	-	Main protease - UNP residues 3264-3569	46.2	-		No	-		57.9	53.6	56.2		-
7kvr	2.12 Å	2020-12-09	X-ray	X4V	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.00%	22.45%	10.10%	N~4~,N~4~-dimethylpyridine-2,4-diamine	N~4~,N~4~-dimethylpyridine-2,4-diamine	XDS	97.30%	12.2	LNLS SIRUS (MANACA)	PHENIX	2020-11-28	34174328	-	-	-	-	N/A	-	-	Main protease - UNP residues 3264-3569	32.7	-		No	-		60.7	40.7	40.0		-
5rs7	1.00 Å	2020-12-09	X-ray	W4Y	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.01%	19.00%	4.20%	1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one	1-{2-[(propan-2-yl)oxy]ethyl}-2-sulfanylidene-1,2,3,5-tetrahydro-4H-pyrrolo[3,2-d]pyrimidin-4-one	XDS	99.90%	16.51	ALS (8.3.1)	PHENIX	2020-11-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	51.6	-		No	-		87.7	19.4	70.9		-
5rs8	1.01 Å	2020-12-16	X-ray	H35	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.35%	17.88%	7.30%	N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE	N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE	XDS	99.40%	8.75	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	74.1	-		No	-		92.6	49.1	83.8		-
5rs9	1.00 Å	2020-12-16	X-ray	W4V	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.39%	17.84%	3.40%	6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine	6,7-dihydro-5H-cyclopenta[d][1,2,4]triazolo[1,5-a]pyrimidin-8-amine	XDS	99.20%	20.26	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	70.9	-		No	-		92.7	38.5	86.5		-
5rsb	1.00 Å	2020-12-16	X-ray	W4S	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.69%	18.39%	3.70%	7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine	7-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine	XDS	99.50%	18.76	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.1	-		No	-		90.7	46.2	86.1		-
5rsc	1.01 Å	2020-12-16	X-ray	W5S	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.53%	20.12%	4.40%	7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine	7-[(furan-2-yl)methyl]-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine	XDS	99.70%	15.68	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	58.7	-		No	-		80.9	31.0	80.1		-
5rsd	1.00 Å	2020-12-16	X-ray	1LQ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.03%	18.87%	5.20%	quinazolin-4-amine	quinazolin-4-amine	XDS	99.00%	13.13	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	64.1	-		No	-		88.4	32.6	81.8		-
5rse	1.00 Å	2020-12-16	X-ray	W5P	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	19.13%	20.84%	3.40%	4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine	4-[(3R)-3-fluoropiperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine	XDS	99.90%	19.31	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	44.7	-		No	-		75.4	16.5	73.1		-
5rsf	1.00 Å	2020-12-16	X-ray	W5M	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.89%	17.35%	3.90%	9-methyl-9H-purine-2,6-diamine	9-methyl-9H-purine-2,6-diamine	XDS	99.30%	17.95	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	72.6	-		No	-		94.2	41.0	86.5		-
5rsg	1.00 Å	2020-12-16	X-ray	W5J	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.78%	18.26%	3.80%	N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine	N-methyl-N-7H-pyrrolo[2,3-d]pyrimidin-4-yl-beta-alanine	XDS	99.50%	17.75	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	59.0	-		No	-		91.2	29.3	72.1		-
5rsh	1.00 Å	2020-12-16	X-ray	W5G	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.48%	17.91%	3.80%	4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine	4-(5-azaspiro[2.5]octan-5-yl)-7H-pyrrolo[2,3-d]pyrimidine	XDS	99.30%	18.72	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	66.7	-		No	-		92.4	31.0	85.0		-
5rsi	1.01 Å	2020-12-16	X-ray	W5D	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	19.84%	21.69%	6.70%	4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine	4-(1,4-oxazonan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine	XDS	99.50%	9.11	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	30.9	-		No	-		68.2	15.8	53.9		-
5rsj	1.00 Å	2020-12-16	X-ray	W5A	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.99%	19.28%	7.90%	3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine	3-[(2-methyl-1,3-thiazol-4-yl)methyl]-3H-purin-6-amine	XDS	99.20%	8.0	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	77.5	-		No	-		86.3	59.3	89.2		-
5rsk	1.00 Å	2020-12-16	X-ray	W57	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.36%	16.40%	3.90%	3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine	3-[(3-methoxy-1,2-oxazol-5-yl)methyl]-3H-purin-6-amine	XDS	99.90%	19.07	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.9	-		No	-		96.4	41.0	87.6		-
5rsl	1.00 Å	2020-12-16	X-ray	W51	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.14%	18.89%	4.90%	6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine	6-[(1s,4s)-2-azabicyclo[2.2.2]octan-2-yl]-5-chloropyrimidin-4-amine	XDS	99.50%	14.16	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	52.7	-		No	-		88.4	21.5	70.4		-
5rsm	1.02 Å	2020-12-16	X-ray	4SO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.97%	18.47%	8.50%	4-sulfamoylbenzoic acid	4-sulfamoylbenzoic acid	XDS	99.80%	9.08	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	68.2	-		No	-		90.3	31.0	90.5		-
5rsn	1.00 Å	2020-12-16	X-ray	51X	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.64%	18.07%	9.20%	(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid	(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid	XDS	98.70%	7.44	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	75.4	-		No	-		91.9	41.0	95.9		-
5rso	1.03 Å	2020-12-16	X-ray	TYZ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.96%	18.66%	6.30%	PARA ACETAMIDO BENZOIC ACID	PARA ACETAMIDO BENZOIC ACID	XDS	99.90%	9.94	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	76.5	-		No	-		89.5	52.3	90.2		-
5rsp	1.02 Å	2020-12-16	X-ray	LSA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.82%	17.22%	6.50%	1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE	1,2-BENZISOTHIAZOL-3(2H)-ONE 1,1-DIOXIDE	XDS	99.70%	9.84	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.1	-		No	-		94.6	49.1	93.0		-
5rsq	1.00 Å	2020-12-16	X-ray	MOK	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.67%	16.99%	5.10%	5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid	5-methyl-3-phenyl-1,2-oxazole-4-carboxylic acid	XDS	98.40%	14.24	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.0	-		No	-		95.2	38.5	89.2		-
5rsr	1.00 Å	2020-12-16	X-ray	XIY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.25%	19.13%	6.90%	2-HYDROXYMETHYL-BENZOIMIDAZOLE	2-HYDROXYMETHYL-BENZOIMIDAZOLE	XDS	97.10%	8.82	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	76.2	-		No	-		87.1	52.3	91.8		-
5rss	1.00 Å	2020-12-16	X-ray	NC3	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.30%	16.66%	7.40%	N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE	N-[(CYCLOHEXYLAMINO)CARBONYL]GLYCINE	XDS	96.50%	9.15	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.3	-		No	-		95.9	67.2	88.4		-
5rst	1.00 Å	2020-12-16	X-ray	5HN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.35%	16.94%	5.90%	5-hydroxypyridine-3-carboxylic acid	5-hydroxypyridine-3-carboxylic acid	XDS	99.30%	12.64	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	75.4	-		No	-		95.3	49.1	84.5		-
5rsu	1.00 Å	2020-12-16	X-ray	OHB	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.97%	16.33%	7.40%	salicylamide	salicylamide	XDS	98.60%	9.83	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.1	-		No	-		96.5	55.7	84.6		-
5rsv	1.03 Å	2020-12-16	X-ray	4MB	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.26%	17.95%	5.40%	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	4-[(METHYLSULFONYL)AMINO]BENZOIC ACID	XDS	99.90%	12.33	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	64.1	-		No	-		92.3	31.0	79.7		-
5rsw	1.00 Å	2020-12-16	X-ray	6FZ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.24%	17.74%	5.50%	2,3-dihydro-1H-indene-2-carboxylic acid	2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.10%	12.24	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	74.7	-		No	-		93.1	43.4	90.5		-
5rsx	1.00 Å	2020-12-16	X-ray	YTX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.06%	17.60%	5.30%	2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid	2-(3-methoxy-4-oxidanyl-phenyl)ethanoic acid	XDS	97.10%	13.55	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	71.3	-		No	-		93.5	32.6	92.6		-
5rsy	1.04 Å	2020-12-16	X-ray	3R6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.21%	19.15%	9.30%	2-hydroxy-5-(methylsulfanyl)benzoic acid	2-hydroxy-5-(methylsulfanyl)benzoic acid	XDS	99.20%	6.44	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	80.2	-		No	-		87.0	67.2	89.2		-
5rsz	1.02 Å	2020-12-16	X-ray	ZZA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.55%	18.17%	5.50%	1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID	1-PHENYL-1H-PYRAZOLE-4-CARBOXYLIC ACID	XDS	98.90%	12.52	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	81.8	-		No	-		91.5	67.2	90.9		-
5rt0	1.00 Å	2020-12-16	X-ray	4BL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.38%	15.67%	5.70%	6-methyl-1H-indole-2-carboxylic acid	6-methyl-1H-indole-2-carboxylic acid	XDS	96.40%	13.99	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	80.9	-		No	-		97.6	59.3	89.2		-
5rt1	1.00 Å	2020-12-16	X-ray	3A9	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.91%	16.27%	4.60%	2,3-dihydro-1-benzofuran-5-carboxylic acid	2,3-dihydro-1-benzofuran-5-carboxylic acid	XDS	97.20%	14.89	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	79.8	-		No	-		96.6	59.3	86.1		-
5rt2	1.00 Å	2020-12-16	X-ray	5OF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.73%	17.44%	4.90%	2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid	2-(4-oxidanylidene-3~{H}-phthalazin-1-yl)ethanoic acid	XDS	97.10%	13.9	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	74.4	-		No	-		94.0	46.2	86.1		-
5rt3	1.05 Å	2020-12-16	X-ray	2FX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	19.55%	21.86%	9.10%	1-benzothiophen-2-ylacetic acid	1-benzothiophen-2-ylacetic acid	XDS	99.80%	6.59	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	63.7	-		No	-		66.5	52.3	83.4		-
5rt4	1.02 Å	2020-12-16	X-ray	4BX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.00%	17.52%	9.30%	3-(1H-benzimidazol-2-yl)propanoic acid	3-(1H-benzimidazol-2-yl)propanoic acid	XDS	97.90%	8.58	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	66.8	-		No	-		93.7	24.4	90.5		-
5rt5	1.00 Å	2020-12-16	X-ray	07L	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.34%	17.15%	7.00%	7-hydroxy-2H-chromen-2-one	7-hydroxy-2H-chromen-2-one	XDS	96.80%	10.01	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	76.4	-		No	-		94.7	55.7	81.3		-
5rt6	1.00 Å	2020-12-16	X-ray	05R	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.72%	18.17%	5.30%	2-(3,4-dichlorophenyl)ethanoic acid	2-(3,4-dichlorophenyl)ethanoic acid	XDS	97.60%	14.58	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	67.8	-		No	-		91.5	36.4	83.0		-
5rt7	1.00 Å	2020-12-16	X-ray	GVH	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.89%	17.35%	10.00%	1H-PYRROLO[2,3-B]PYRIDINE	1H-PYRROLO[2,3-B]PYRIDINE	XDS	97.10%	6.61	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	79.7	-		No	-		94.2	55.7	91.8		-
5rt8	1.00 Å	2020-12-16	X-ray	HLR	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.75%	15.99%	6.20%	1,2-benzoxazol-3-amine	1,2-benzoxazol-3-amine	XDS	97.50%	12.35	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	79.9	-		No	-		97.1	52.3	93.0		-
5rt9	1.01 Å	2020-12-16	X-ray	54G	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.05%	18.52%	5.50%	2-hydroxy-5-methylbenzoic acid	2-hydroxy-5-methylbenzoic acid	XDS	98.40%	11.84	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	76.9	-		No	-		90.1	52.3	90.5		-
5rta	1.00 Å	2020-12-16	X-ray	Q6T	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.07%	16.28%	6.20%	1,3-benzodioxole-4-carboxylic acid	1,3-benzodioxole-4-carboxylic acid	XDS	98.10%	11.72	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	81.4	-		No	-		96.6	59.3	91.8		-
5rtb	1.04 Å	2020-12-16	X-ray	3XH	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.89%	18.65%	9.00%	3-Hydroxyhippuric acid	3-Hydroxyhippuric acid	XDS	99.20%	6.92	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	83.6	-		No	-		89.5	76.0	91.8		-
5rtc	1.06 Å	2020-12-16	X-ray	EVE	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.48%	20.08%	9.70%	1H-benzimidazole-2-sulfonamide	1H-benzimidazole-2-sulfonamide	XDS	99.80%	6.57	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.9	-		No	-		81.2	71.4	86.6		-
5rtd	1.04 Å	2020-12-16	X-ray	MHW	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.86%	17.81%	7.70%	3-HYDROXYPICOLINIC ACID	3-HYDROXYPICOLINIC ACID	XDS	99.40%	8.28	SSRL (BL12-1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.7	-		No	-		92.8	71.4	89.1		-
5rte	1.00 Å	2020-12-16	X-ray	4FL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.61%	19.28%	5.00%	4-(1H-imidazol-2-yl)pyridine	4-(1H-imidazol-2-yl)pyridine	XDS	99.40%	13.0	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	59.3	-		No	-		86.3	26.7	80.2		-
5rtf	1.00 Å	2020-12-16	X-ray	ISN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.10%	16.59%	3.80%	ISATIN	ISATIN	XDS	99.30%	18.08	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	72.4	-		No	-		96.0	38.5	86.8		-
5rtg	1.01 Å	2020-12-16	X-ray	3HP	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.41%	18.00%	7.70%	3-HYDROXYPHENYLACETATE	3-HYDROXYPHENYLACETATE	XDS	99.70%	8.19	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	77.7	-		No	-		92.1	49.1	94.2		-
5rth	1.00 Å	2020-12-16	X-ray	3BZ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.71%	17.21%	7.40%	3-chlorobenzoate	3-chlorobenzoate	XDS	99.40%	9.32	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.7	-		No	-		94.6	41.0	89.1		-
5rti	1.01 Å	2020-12-16	X-ray	6U6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.87%	18.49%	8.30%	3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid	3-(5-chloranyl-1,3-benzothiazol-2-yl)propanoic acid	XDS	99.70%	7.78	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	67.8	-		No	-		90.3	34.4	86.1		-
5rtj	1.00 Å	2020-12-16	X-ray	PHB	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.19%	17.61%	4.30%	P-HYDROXYBENZOIC ACID	P-HYDROXYBENZOIC ACID	XDS	99.10%	15.78	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	70.1	-		No	-		93.5	36.4	86.1		-
5rtk	1.00 Å	2020-12-16	X-ray	BZX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.81%	16.40%	3.60%	1,3-benzodioxol-5-ol	1,3-benzodioxol-5-ol	XDS	99.20%	18.7	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.0	-		No	-		96.4	63.1	90.5		-
5rtl	1.00 Å	2020-12-16	X-ray	4J8	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.05%	16.45%	5.20%	4-methylbenzenesulfonamide	4-methylbenzenesulfonamide	XDS	99.80%	13.59	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.6	-		No	-		96.3	52.3	75.6		-
5rtm	1.00 Å	2020-12-16	X-ray	PZA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.25%	16.81%	3.90%	PYRAZINE-2-CARBOXAMIDE	PYRAZINE-2-CARBOXAMIDE	XDS	99.20%	18.1	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.8	-		No	-		95.5	55.7	87.7		-
5rtn	1.00 Å	2020-12-16	X-ray	AQO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.84%	17.38%	5.90%	2-AMINOQUINAZOLIN-4(3H)-ONE	2-AMINOQUINAZOLIN-4(3H)-ONE	XDS	99.20%	10.89	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	74.5	-		No	-		94.2	52.3	80.1		-
5rto	1.00 Å	2020-12-16	X-ray	4PN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.47%	15.84%	6.30%	4-PIPERIDINO-PIPERIDINE	4-PIPERIDINO-PIPERIDINE	XDS	99.50%	11.43	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	77.8	-		No	-		97.3	49.1	89.2		-
5rtp	1.00 Å	2020-12-16	X-ray	AOT	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.31%	16.82%	5.20%	2-oxidanylidene-2-phenylazanyl-ethanoic acid	2-oxidanylidene-2-phenylazanyl-ethanoic acid	XDS	99.00%	12.92	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	67.3	-		No	-		95.5	26.7	87.6		-
5rtq	1.00 Å	2020-12-16	X-ray	4JO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.75%	17.15%	4.30%	5-bromo-6-methylpyridin-2-amine	5-bromo-6-methylpyridin-2-amine	XDS	99.70%	15.78	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	70.5	-		No	-		94.7	32.6	89.5		-
5rtr	1.00 Å	2020-12-16	X-ray	SHA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.57%	16.82%	5.00%	SALICYLHYDROXAMIC ACID	SALICYLHYDROXAMIC ACID	XDS	99.20%	13.74	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	76.7	-		No	-		95.5	52.3	84.6		-
5rts	1.00 Å	2020-12-16	X-ray	0LO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.16%	16.54%	3.30%	5-phenylpyridine-3-carboxylic acid	5-phenylpyridine-3-carboxylic acid	XDS	99.30%	22.65	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	71.1	-		No	-		96.1	34.4	87.6		-
5rtt	1.00 Å	2020-12-16	X-ray	NMI	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.70%	18.20%	4.50%	3-(1-methyl-1H-indol-3-yl)propanoic acid	3-(1-methyl-1H-indol-3-yl)propanoic acid	XDS	99.20%	14.35	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	63.2	-		No	-		91.4	27.9	81.8		-
5rtu	1.00 Å	2020-12-16	X-ray	1FF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.63%	16.27%	4.70%	1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid	1-methyl-5-phenyl-1H-pyrazole-4-carboxylic acid	XDS	98.60%	14.57	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	81.7	-		No	-		96.6	63.1	89.2		-
5rtv	1.00 Å	2020-12-16	X-ray	PF0	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.09%	17.23%	4.80%	3-hydroxy-2-methylbenzoic acid	3-hydroxy-2-methylbenzoic acid	XDS	99.00%	14.29	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	65.9	-		No	-		94.5	38.5	73.8		-
5rtw	1.00 Å	2020-12-16	X-ray	OHP	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.05%	17.54%	6.70%	(2-HYDROXYPHENYL)ACETIC ACID	(2-HYDROXYPHENYL)ACETIC ACID	XDS	98.80%	9.79	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	70.5	-		No	-		93.7	27.9	95.2		-
5rtx	1.00 Å	2020-12-16	X-ray	6OT	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.60%	16.05%	4.80%	3,5-dichlorobenzene-1-sulfonamide	3,5-dichlorobenzene-1-sulfonamide	XDS	99.40%	14.72	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.7	-		No	-		97.0	38.5	89.1		-
5rty	1.00 Å	2020-12-16	X-ray	HBD	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.45%	18.12%	5.20%	4-HYDROXYBENZAMIDE	4-HYDROXYBENZAMIDE	XDS	99.20%	12.64	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	76.9	-		No	-		91.7	52.3	89.2		-
5rtz	1.00 Å	2020-12-16	X-ray	FHB	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.03%	17.82%	6.00%	3-FLUORO-4-HYDROXYBENZOIC ACID	3-FLUORO-4-HYDROXYBENZOIC ACID	XDS	99.00%	10.88	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	66.3	-		No	-		92.8	24.4	90.5		-
5ru0	1.00 Å	2020-12-16	X-ray	2CL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.45%	16.64%	5.50%	(2,6-DICHLOROPHENYL)ACETIC ACID	(2,6-DICHLOROPHENYL)ACETIC ACID	XDS	99.00%	12.26	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	71.5	-		No	-		95.9	43.4	79.7		-
5ru1	1.00 Å	2020-12-16	X-ray	DFA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.52%	18.04%	4.90%	DIPHENYLACETIC ACID	DIPHENYLACETIC ACID	XDS	99.10%	13.4	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	67.9	-		No	-		92.0	41.0	78.1		-
5ru2	1.00 Å	2020-12-16	X-ray	06Y	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.85%	19.41%	3.20%	2-phenoxyethanoic acid	2-phenoxyethanoic acid	XDS	99.30%	21.31	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	68.8	-		No	-		85.5	43.4	84.2		-
5ru3	1.00 Å	2020-12-16	X-ray	8H8	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.62%	16.02%	6.60%	2-fluoro-4-hydroxybenzonitrile	2-fluoro-4-hydroxybenzonitrile	XDS	99.00%	10.93	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.2	-		No	-		97.0	67.2	86.5		-
5ru4	1.00 Å	2020-12-16	X-ray	6V9	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.28%	16.79%	3.30%	2-methyl-1,3-thiazole-5-carboxylic acid	2-methyl-1,3-thiazole-5-carboxylic acid	XDS	99.00%	21.55	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	68.4	-		No	-		95.6	38.5	78.0		-
5ru5	1.00 Å	2020-12-16	X-ray	BXW	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.57%	15.92%	5.90%	3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid	3-oxo-3,4-dihydro-2H-1,4-benzothiazine-7-carboxylic acid	XDS	98.90%	12.17	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.0	-		No	-		97.2	41.0	84.6		-
5ru6	1.00 Å	2020-12-16	X-ray	2UP	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.76%	16.45%	7.40%	naphthalene-2-carboximidamide	naphthalene-2-carboximidamide	XDS	99.10%	9.16	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.6	-		No	-		96.3	67.2	74.8		-
5ru7	1.00 Å	2020-12-16	X-ray	PYD	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.72%	16.19%	4.10%	2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE	2,5-DIMETHYL-PYRIMIDIN-4-YLAMINE	XDS	99.40%	17.49	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	75.4	-		No	-		96.8	49.1	83.0		-
5ru8	1.00 Å	2020-12-16	X-ray	1SQ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.22%	15.58%	3.00%	ISOQUINOLIN-1-AMINE	ISOQUINOLIN-1-AMINE	XDS	98.90%	23.54	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	80.7	-		No	-		97.7	55.7	91.8		-
5ru9	1.00 Å	2020-12-16	X-ray	4SV	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.19%	18.90%	8.00%	3-AMINOPYRIDINE-4-CARBOXYLIC ACID	3-AMINOPYRIDINE-4-CARBOXYLIC ACID	XDS	99.50%	8.38	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	63.5	-		No	-		88.2	29.3	84.2		-
5rua	1.00 Å	2020-12-16	X-ray	3EU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.08%	17.45%	5.30%	(3,5-dichlorophenyl)acetic acid	(3,5-dichlorophenyl)acetic acid	XDS	99.00%	12.79	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	67.9	-		No	-		94.0	38.5	78.6		-
5ruc	1.00 Å	2020-12-16	X-ray	NCA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.62%	16.97%	5.40%	NICOTINAMIDE	NICOTINAMIDE	XDS	99.50%	12.52	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	75.1	-		No	-		95.2	41.0	91.9		-
5rud	1.00 Å	2020-12-16	X-ray	2D0	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.56%	17.12%	6.10%	4-chloro-1,3-benzothiazol-2-amine	4-chloro-1,3-benzothiazol-2-amine	XDS	99.50%	11.46	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.2	-		No	-		94.8	41.0	87.6		-
5rue	1.02 Å	2020-12-16	X-ray	BHA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.43%	18.30%	7.70%	2-HYDROXY-4-AMINOBENZOIC ACID	2-HYDROXY-4-AMINOBENZOIC ACID	XDS	99.80%	8.19	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	79.0	-		No	-		91.0	59.3	89.2		-
5ruf	1.00 Å	2020-12-16	X-ray	54T	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.12%	16.65%	5.90%	6-chloro-1,3-benzothiazol-2-amine	6-chloro-1,3-benzothiazol-2-amine	XDS	99.40%	11.04	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	81.8	-		No	-		95.9	67.2	86.1		-
5rug	1.00 Å	2020-12-16	X-ray	NOA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.30%	18.92%	4.10%	NAPHTHYLOXYACETIC ACID	NAPHTHYLOXYACETIC ACID	XDS	98.90%	16.01	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	72.4	-		No	-		88.2	41.0	92.2		-
5ruh	1.00 Å	2020-12-16	X-ray	KNL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.44%	17.15%	5.90%	(2,6-dichlorophenoxy)acetic acid	(2,6-dichlorophenoxy)acetic acid	XDS	98.80%	11.92	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	63.0	-		No	-		94.7	34.4	71.6		-
5rui	1.00 Å	2020-12-16	X-ray	4YS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.11%	16.55%	6.40%	isoquinolin-1(2H)-one	isoquinolin-1(2H)-one	XDS	98.70%	11.07	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.6	-		No	-		96.1	49.1	93.0		-
5ruj	1.01 Å	2020-12-16	X-ray	2SX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.07%	18.47%	6.50%	(5-bromo-1H-indol-3-yl)acetic acid	(5-bromo-1H-indol-3-yl)acetic acid	XDS	99.40%	9.8	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	71.6	-		No	-		90.3	41.0	88.1		-
5ruk	1.05 Å	2020-12-16	X-ray	NVU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.42%	18.26%	6.10%	2-(1,2-benzoxazol-3-yl)ethanoic acid	2-(1,2-benzoxazol-3-yl)ethanoic acid	XDS	99.90%	11.4	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	72.6	-		No	-		91.2	36.4	94.5		-
5rul	1.00 Å	2020-12-16	X-ray	5ZE	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.67%	17.16%	6.30%	4,6-dimethylpyrimidin-2-amine	4,6-dimethylpyrimidin-2-amine	XDS	99.50%	11.09	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	68.7	-		No	-		94.7	36.4	81.8		-
5rum	1.00 Å	2020-12-16	X-ray	52F	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.14%	17.58%	5.10%	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid	3-(3-oxo-3,4-dihydroquinoxalin-2-yl)propanoic acid	XDS	99.30%	13.14	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	68.5	-		No	-		93.6	32.6	86.1		-
5run	1.00 Å	2020-12-16	X-ray	EXB	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.88%	17.11%	5.90%	3-(1H-benzimidazol-1-yl)propanoic acid	3-(1H-benzimidazol-1-yl)propanoic acid	XDS	99.20%	12.04	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	70.9	-		No	-		94.8	31.0	91.8		-
5ruo	1.00 Å	2020-12-16	X-ray	W6A	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.41%	17.86%	4.40%	4-chloro-1H-indole-2-carboxylic acid	4-chloro-1H-indole-2-carboxylic acid	XDS	99.80%	15.21	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	69.8	-		No	-		92.6	36.4	86.1		-
5rup	1.00 Å	2020-12-16	X-ray	04R	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.92%	17.36%	4.90%	[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid	[3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl]acetic acid	XDS	99.20%	15.05	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	57.0	-		No	-		94.2	22.4	72.0		-
5ruq	1.00 Å	2020-12-16	X-ray	W6D	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.63%	15.92%	4.20%	1H-indole-4-carboxamide	1H-indole-4-carboxamide	XDS	99.70%	16.3	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	76.2	-		No	-		97.2	46.2	87.6		-
5rur	1.00 Å	2020-12-16	X-ray	FBB	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.30%	16.80%	7.50%	6-fluoro-1,3-benzothiazol-2-amine	6-fluoro-1,3-benzothiazol-2-amine	XDS	99.20%	8.73	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.1	-		No	-		95.6	71.4	83.4		-
5rus	1.00 Å	2020-12-16	X-ray	HSM	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.89%	16.09%	6.10%	HISTAMINE	HISTAMINE	XDS	99.10%	11.97	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	80.1	-		No	-		97.0	55.7	90.5		-
5rut	1.00 Å	2020-12-16	X-ray	APG	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.61%	17.83%	7.00%	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	ATROLACTIC ACID (2-PHENYL-LACTIC ACID)	XDS	99.60%	9.61	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.1	-		No	-		92.7	38.5	91.8		-
5ruu	1.01 Å	2020-12-16	X-ray	W6G	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.62%	19.08%	5.90%	N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide	N-(1,3,4-thiadiazol-2-yl)benzenesulfonamide	XDS	99.70%	10.99	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	53.4	-		No	-		87.4	23.4	70.8		-
5ruv	1.00 Å	2020-12-16	X-ray	W6J	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.94%	16.28%	3.80%	1-(pyridin-2-yl)-1,4-diazepane	1-(pyridin-2-yl)-1,4-diazepane	XDS	99.30%	18.39	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.4	-		No	-		96.6	52.3	88.8		-
5ruw	1.00 Å	2020-12-16	X-ray	W6M	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.69%	17.13%	4.60%	3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid	3-{[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]carbamoyl}benzoic acid	XDS	99.60%	13.96	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	81.4	-		No	-		94.8	71.4	81.3		-
5rux	1.00 Å	2020-12-16	X-ray	W6P	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.93%	16.30%	4.30%	1,3-dihydro-2H-indol-2-one	1,3-dihydro-2H-indol-2-one	XDS	99.60%	16.39	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.6	-		No	-		96.6	63.1	93.0		-
5ruy	1.00 Å	2020-12-16	X-ray	XAN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.26%	18.93%	3.50%	XANTHINE	XANTHINE	XDS	98.70%	18.88	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	67.2	-		No	-		88.1	46.2	75.2		-
5ruz	1.00 Å	2020-12-16	X-ray	W6S	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.99%	16.66%	7.30%	4-(1H-pyrazol-3-yl)piperidine	4-(1H-pyrazol-3-yl)piperidine	XDS	99.50%	9.03	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	83.1	-		No	-		95.9	67.2	91.8		-
5rv0	1.00 Å	2020-12-16	X-ray	W6V	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.59%	15.93%	5.20%	N-(1,3-thiazol-2-yl)benzamide	N-(1,3-thiazol-2-yl)benzamide	XDS	99.60%	13.34	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	68.6	-		No	-		97.2	31.0	84.5		-
5rv1	1.00 Å	2020-12-16	X-ray	TFA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.59%	17.99%	8.00%	trifluoroacetic acid	trifluoroacetic acid	XDS	99.00%	8.17	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	72.4	-		No	-		92.2	38.5	90.5		-
5rv2	1.01 Å	2020-12-16	X-ray	W7S	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.07%	19.74%	12.20%	N-benzylpyrazine-2-carboxamide	N-benzylpyrazine-2-carboxamide	XDS	99.50%	5.0	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.6	-		No	-		83.4	67.2	87.6		-
5rv3	1.02 Å	2020-12-16	X-ray	MYI	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.17%	18.95%	7.70%	(5-methoxy-1H-indol-3-yl)acetic acid	(5-methoxy-1H-indol-3-yl)acetic acid	XDS	99.70%	8.16	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	67.5	-		No	-		88.0	27.9	94.2		-
5rv4	1.00 Å	2020-12-16	X-ray	4FS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.19%	17.65%	8.00%	quinolin-3-amine	quinolin-3-amine	XDS	99.80%	8.14	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	74.3	-		No	-		93.4	38.5	94.2		-
5rv5	1.00 Å	2020-12-16	X-ray	JG8	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.73%	18.25%	3.90%	BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE	BENZOFURO[3,2-D]PYRIMIDIN-4(3H)-ONE	XDS	99.70%	16.75	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	52.7	-		No	-		91.2	24.4	64.8		-
5rv6	1.00 Å	2020-12-16	X-ray	0HN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.52%	15.95%	3.70%	1,3-benzodioxole-5-carboxylic acid	1,3-benzodioxole-5-carboxylic acid	XDS	99.20%	19.45	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	66.5	-		No	-		97.2	34.4	76.4		-
5rv7	1.00 Å	2020-12-16	X-ray	JNZ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.64%	16.02%	4.70%	1H-indazol-3-amine	1H-indazol-3-amine	XDS	99.40%	14.75	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	69.4	-		No	-		97.0	32.6	84.6		-
5rv8	1.00 Å	2020-12-16	X-ray	8EJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.08%	17.67%	5.70%	6-methylpyridine-3-carboxamide	6-methylpyridine-3-carboxamide	XDS	99.70%	11.45	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.5	-		No	-		93.3	67.2	91.8		-
5rv9	1.00 Å	2020-12-16	X-ray	EKZ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.89%	18.23%	3.80%	4-tert-butylbenzene-1,2-diol	4-tert-butylbenzene-1,2-diol	XDS	99.40%	18.14	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	66.5	-		No	-		91.3	43.4	73.4		-
5rva	1.00 Å	2020-12-16	X-ray	HQD	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.07%	16.51%	6.60%	3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE	3-HYDROXY-2-METHYLQUINOLIN-4(1H)-ONE	XDS	98.70%	10.57	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	77.8	-		No	-		96.2	49.1	90.5		-
5rvb	1.00 Å	2020-12-16	X-ray	7PD	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.89%	16.40%	5.40%	2-aminopteridine-4,7(3H,8H)-dione	2-aminopteridine-4,7(3H,8H)-dione	XDS	99.30%	12.33	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	84.8	-		No	-		96.4	85.1	82.9		-
5rvc	1.00 Å	2020-12-16	X-ray	W7V	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.23%	15.57%	3.30%	(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide	(1R,5R)-N-methyl-N-(1H-pyrazol-4-yl)bicyclo[3.1.0]hexane-1-carboxamide	XDS	99.10%	21.79	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.6	-		No	-		97.7	67.2	87.6		-
5rvd	1.00 Å	2020-12-16	X-ray	W7Y	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.43%	19.81%	4.10%	4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine	4-[(2R)-2-cyclobutylpyrrolidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine	XDS	98.90%	16.14	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	37.8	-		No	-		82.9	15.2	53.6		-
5rve	1.00 Å	2020-12-16	X-ray	W8A	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.75%	16.98%	3.90%	{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid	{[(2S)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl}acetic acid	XDS	99.70%	18.76	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	74.0	-		No	-		95.2	41.0	89.1		-
5rvf	1.00 Å	2020-12-16	X-ray	W8D	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.23%	17.34%	3.30%	3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine	3-{[(2R)-oxolan-2-yl]methyl}-3H-purin-6-amine	XDS	98.90%	21.88	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	62.5	-		No	-		94.3	21.5	83.8		-
5rvg	1.00 Å	2020-12-16	X-ray	W8J	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.49%	17.94%	3.60%	3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine	3-{3-[(3S)-oxolan-3-yl]propyl}-3H-purin-6-amine	XDS	99.50%	18.89	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	72.1	-		No	-		92.3	43.4	84.7		-
5rvh	0.98 Å	2020-12-16	X-ray	Q3C	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.65%	18.38%	6.80%	quinoline-3-carboxylic acid	quinoline-3-carboxylic acid	XDS	99.90%	10.18	NSLS-II (17-ID-2)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	70.6	-		No	-		90.7	41.0	85.4		-
5rvi	0.94 Å	2020-12-16	X-ray	CLW	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.51%	18.09%	6.90%	CHLORZOXAZONE	CHLORZOXAZONE	XDS	100.00%	10.5	NSLS-II (17-ID-2)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	63.9	-		No	-		91.8	32.6	78.1		-
5rvj	1.20 Å	2020-12-16	X-ray	4JQ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.95%	15.83%	3.30%	6-amino-2H-chromen-2-one	6-amino-2H-chromen-2-one	XDS	85.20%	16.4	ALS (8.3.1)	PHENIX	2020-09-28	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.1	-		No	-		97.3	63.1	90.3		-
5rvk	1.46 Å	2020-12-16	X-ray	2AK	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.33%	19.46%	5.50%	7-bromo-5-methyl-1H-indole-2,3-dione	7-bromo-5-methyl-1H-indole-2,3-dione	XDS	99.20%	11.12	ALS (8.3.1)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	76.6	-		No	-		85.2	71.4	75.5		-
5rvl	1.36 Å	2020-12-16	X-ray	BVF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.43%	19.48%	6.70%	4-METHYLPYRIDIN-2-AMINE	4-METHYLPYRIDIN-2-AMINE	XDS	96.40%	10.18	ALS (8.3.1)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	81.9	-		No	-		85.1	80.5	84.3		-
5rvm	1.03 Å	2020-12-16	X-ray	HBD	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.28%	15.53%	3.50%	4-HYDROXYBENZAMIDE	4-HYDROXYBENZAMIDE	XDS	78.30%	16.79	ALS (8.3.1)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	73.4	-		No	-		97.7	50.2	75.8		-
5rvn	1.26 Å	2020-12-16	X-ray	ANN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.90%	18.70%	4.30%	4-METHOXYBENZOIC ACID	4-METHOXYBENZOIC ACID	XDS	96.70%	12.54	ALS (8.3.1)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	81.5	-		No	-		89.3	95.7	63.2		-
5rvo	1.52 Å	2020-12-16	X-ray	AQO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.98%	21.19%	7.70%	2-AMINOQUINAZOLIN-4(3H)-ONE	2-AMINOQUINAZOLIN-4(3H)-ONE	XDS	97.60%	8.34	ALS (8.3.1)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.2	-		No	-		72.6	80.5	90.2		-
5rvp	1.04 Å	2020-12-16	X-ray	1SQ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.07%	14.19%	5.10%	ISOQUINOLIN-1-AMINE	ISOQUINOLIN-1-AMINE	XDS	73.30%	12.62	SSRL (BL12-2)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	79.5	-		No	-		99.0	95.7	46.3		-
5rvq	1.08 Å	2020-12-16	X-ray	4BY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.50%	18.33%	9.00%	5-methyl-1H-indole-2-carboxylic acid	5-methyl-1H-indole-2-carboxylic acid	XDS	79.70%	7.66	SSRL (BL12-2)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	79.2	-		No	-		90.9	89.6	59.6		-
5rvr	1.04 Å	2020-12-16	X-ray	LZ1	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.41%	15.73%	10.20%	1H-indazole	1H-indazole	XDS	75.90%	7.83	SSRL (BL12-2)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	77.7	-		No	-		97.5	80.5	57.5		-
5rvs	1.52 Å	2020-12-16	X-ray	0LO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.72%	22.26%	8.00%	5-phenylpyridine-3-carboxylic acid	5-phenylpyridine-3-carboxylic acid	XDS	97.10%	8.66	SSRL (BL12-2)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	61.4	-		No	-		62.6	71.4	63.2		-
5rvt	1.26 Å	2020-12-16	X-ray	4BL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.01%	17.02%	6.30%	6-methyl-1H-indole-2-carboxylic acid	6-methyl-1H-indole-2-carboxylic acid	XDS	97.40%	9.84	SSRL (BL12-2)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.8	-		No	-		95.1	55.7	94.9		-
5rvu	1.20 Å	2020-12-16	X-ray	6P3	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.61%	18.77%	11.70%	6-phenylpyridine-3-carboxylic acid	6-phenylpyridine-3-carboxylic acid	XDS	93.50%	6.31	SSRL (BL12-2)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	83.4	-		No	-		89.0	89.6	78.2		-
5rvv	1.42 Å	2020-12-16	X-ray	WB1	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.15%	21.50%	6.30%	6-methyl-1H-indole-3-carboxylic acid	6-methyl-1H-indole-3-carboxylic acid	XDS	97.30%	10.08	SSRL (BL12-2)	PHENIX	2020-10-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	54.8	-		No	-		69.7	63.1	51.5		-
7b3o	2.00 Å	2020-12-16	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	18.52%	22.45%	15.90%		-	XDS	100.00%	6.7	PETRA III, DESY (P11)	PHENIX	2020-10-02	34273271	-	-	-	-	N/A	-	-	Surface glycoprotein; Light Chain of Fab Fragment; Heavy Chain of Fab Fragment	55.6	-		No	-		60.7	36.4	88.7		-
7cab	3.52 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-12-01	32703908	-	-	-	-	N/A	-	-	SARS-CoV-2 Spike glycoprotein - UNP residues 1-1208	N/A	-		No	-		N/A	N/A	N/A		-
7cwm	3.60 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-06-08	33262452	-	-	-	-	N/A	-	-	Spike glycoprotein; P17 heavy chain; P17 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7cwn	3.20 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-29	33262452	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain of P17 Fab; light chain of P17 Fab; light chain of H014 Fab; heavy chain of H014 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7cwo	3.90 Å	2020-12-16	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-08-29	33262452	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain of P17 Fab; light chain of P17 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7cws	3.40 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-29	33262454	-	-	-	-	N/A	-	-	Heavy Chain of FC05 Fab; Light Chain of FC05 Fab; Light Chain of H014 Fab; Heavy Chain of H014 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7cwu	3.50 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-31	33262454	-	-	-	-	N/A	-	-	heavy chain of FC05 Fab; light chain of FC05 Fab; Spike glycoprotein; heavy chain of P17 Fab; light chain of P17 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7df3	2.70 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-31	33277323	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7df4	3.80 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-06	33277323	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dk3	6.00 Å	2020-12-16	Cryo-EM	VAL, ALA, TYR, ASP, PHE, SER, HIS, TRP, ILE, GLN, GLU, MET, PRO, ARG, THR, CYS, LYS, ASN	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	VALINE; HISTIDINE; PROLINE; ALANINE; TYROSINE; THREONINE; ARGININE; ASPARAGINE; CYSTEINE; SERINE; ISOLEUCINE; LEUCINE; GLUTAMIC ACID; GLUTAMINE; LYSINE; ASPARTIC ACID; METHIONINE; TRYPTOPHAN; PHENYLALANINE	VALINE; ALANINE; TYROSINE; ASPARTIC ACID; PHENYLALANINE; SERINE; HISTIDINE; TRYPTOPHAN; ISOLEUCINE; GLUTAMINE; GLUTAMIC ACID; METHIONINE; PROLINE; ARGININE; THREONINE; CYSTEINE; LYSINE; ASPARAGINE		-	-	()		2020-11-06	33277323	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kne	3.85 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-23	33271067	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7knh	3.74 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-04	33271067	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7kni	3.91 Å	2020-12-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-04	33271067	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7kx5	2.60 Å	2020-12-16	X-ray	X7V	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.01%	27.92%	10.90%	N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide	N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]furan-2-carboxamide	HKL-2000	97.70%	6.4	APS (19-ID)	REFMAC	2020-11-04	34860011	-	-	-	-	N/A	-	-	3C-like proteinase	27.6	-		No	-		14.4	78.5	37.9		-
7kyu	1.48 Å	2020-12-16	X-ray	XC4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.12%	18.70%	6.90%	1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole	1-[(1H-indole-5-carbonyl)oxy]-1H-benzotriazole	HKL-3000	98.00%	32.0	APS (19-ID)	PHENIX	2020-12-03	-	-	-	-	-	N/A	-	-	3C-like proteinase	78.9	-		No	-	-	89.3	55.7	94.2		-
6zlr	3.10 Å	2020-12-16	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	21.76%	24.72%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	DIALS	91.10%	4.6	Diamond (I24)	REFMAC	2020-12-08	33381049	-	-	-	-	N/A	-	-	Spike glycoprotein; CR3022 FAB HEAVY CHAIN; CR3022 FAB LIGHT CHAIN	44.7	-		No	-		37.9	74.0	53.0		-
7b3b	3.10 Å	2020-12-23	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(PUPGPCPAPUPCPGPCPGPUPAPG)-3'); DNA/RNA (5'-R(PCPUPAPCPGPCPG)-D(P(RMP))-R(PUPG)-3')	-		-	-	()		2020-07-01	33436624	ZN	-	-	-	N/A	-	-	SARS-CoV-2 RNA-dependent RNA polymerase (nsp12); SARS-CoV-2 nsp8; SARS-CoV-2 nsp7; DNA/RNA (5'-R(PCPUPAPCPGPCPG)-D(P(RMP))-R(PUPG)-3'); RNA (5'-R(PUPGPCPAPUPCPGPCPGPUPAPG)-3')	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(PUPGPCPAPUPCPGPCPGPUPAPG)-3'); DNA/RNA (5'-R(PCPUPAPCPGPCPG)-D(P(RMP))-R(PUPG)-3')	-
7b3c	3.40 Å	2020-12-23	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(PUPCPAPCPUPUPGPCPGPUPAPG)-3'); DNA/RNA (5'-R(PCPUPAPCPGPCPA)-D(P(RMP))-R(PGPUP*G)-3')	-		-	-	()		2020-11-30	33436624	ZN	-	-	-	N/A	-	-	SARS-CoV-2 RNA-dependent RNA polymerase (nsp12); SARS-CoV-2 nsp8; SARS-CoV-2 nsp7; DNA/RNA (5'-R(PCPUPAPCPGPCPA)-D(P(RMP))-R(PGPUPG)-3'); RNA (5'-R(PUPCPAPCPUPUPGPCPGPUPAP*G)-3')	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(PUPCPAPCPUPUPGPCPGPUPAPG)-3'); DNA/RNA (5'-R(PCPUPAPCPGPCPA)-D(P(RMP))-R(PGPUP*G)-3')	-
7b3d	2.80 Å	2020-12-23	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(PUPGPCPAPCPUPGPCPGPUPAPG)-3'); RNA (5'-R(PCPUPAPCPGPCPAPGPUPG)-3')	-		-	-	()		2020-11-30	33436624	ZN	-	-	-	N/A	-	-	SARS-CoV-2 RNA-dependent RNA polymerase nsp12; SARS-CoV-2 nsp8; SARS-CoV-2 nsp7; RNA (5'-R(PCPUPAPCPGPCPAPGPUPG)-3'); RNA (5'-R(PUPGPCPAPCPUPGPCPGPUPAPG)-3')	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(PCPUPAPCPGPCPAPGPUPG)-3'); RNA (5'-R(PUPGPCPAPCPUPGPCPGPUPAPG)-3')	-
7cyc	3.21 Å	2020-12-23	Cryo-EM	NAG	H-CoV-229E	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-30	33420048	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7cyd	3.55 Å	2020-12-23	Cryo-EM	NAG	H-CoV-229E	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-03	33420048	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dmu	3.20 Å	2020-12-23	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	17.88%	19.79%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	9.38	SPring-8 (BL44XU)	PHENIX	2020-09-03	34155214	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein - receptor-binding domain	69.9	-		No	-		83.2	85.2	47.1		-
7jpy	1.60 Å	2020-12-23	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.81%	20.52%	N/A		-	iMOSFLM	99.20%	7.3	ALS (5.0.2)	PHENIX	2020-12-07	33283984	-	-	-	-	N/A	-	-	3C-like proteinase	59.9	-		No	-		77.9	60.1	56.3		-
7jpz	1.60 Å	2020-12-23	X-ray	GHX	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.57%	24.09%	N/A	(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate	(phenylmethyl) N-[(2S)-1-oxidanylidene-1-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-3-phenyl-propan-2-yl]carbamate	iMOSFLM	97.90%	8.8	ALS (5.0.2)	PHENIX	2020-08-10	33283984	-	-	-	-	N/A	-	-	3C-like proteinase	33.6	-		No	-		44.1	45.4	53.8		-
7jq0	1.65 Å	2020-12-23	X-ray	VHV	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.67%	22.71%	N/A	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	iMOSFLM	96.60%	8.9	ALS (5.0.2)	PHENIX	2020-08-10	33283984	-	-	-	-	N/A	-	-	3C-like proteinase	34.9	-		No	-		57.9	37.3	50.5		-
7jq1	1.65 Å	2020-12-23	X-ray	VHJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	24.74%	29.79%	N/A	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propan-2-yl}-L-phenylalaninamide	iMOSFLM	96.50%	7.3	ALS (5.0.2)	PHENIX	2020-08-10	33283984	-	-	-	-	N/A	-	-	3C-like proteinase	7.4	-		No	-		7.8	31.1	40.8		-
7jq2	1.40 Å	2020-12-23	X-ray	VHM	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.76%	21.39%	N/A	N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	N-[(benzyloxy)carbonyl]-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	iMOSFLM	97.00%	10.7	ALS (5.0.2)	PHENIX	2020-08-10	33283984	-	-	-	-	N/A	-	-	3C-like proteinase	43.8	-		No	-		70.8	37.4	54.9		-
7jq3	2.10 Å	2020-12-23	X-ray	VHP	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.66%	25.44%	N/A	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	iMOSFLM	99.90%	8.8	ROTATING ANODE ()	PHENIX	2020-08-10	33283984	-	-	-	-	N/A	-	-	3C-like proteinase	12.7	-		No	-		31.3	25.1	40.0		-
7jq4	1.65 Å	2020-12-23	X-ray	XM2	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.66%	23.82%	N/A	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-phenylalaninamide	iMOSFLM	99.30%	6.1	ALS (5.0.2)	PHENIX	2020-08-10	33283984	-	-	-	-	N/A	-	-	3C-like proteinase	19.4	-		No	-		46.6	26.4	40.0		-
7jq5	1.90 Å	2020-12-23	X-ray	NOL	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	25.97%	32.92%	N/A	N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE	N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE	iMOSFLM	96.60%	5.5	ROTATING ANODE ()	PHENIX	2020-08-10	33283984	-	-	-	-	N/A	-	-	3C-like proteinase	12.1	-		No	-		4.5	59.9	30.6		-
7bbh	2.90 Å	2020-12-23	Cryo-EM	NAG	Pangolin CoV	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-08-10	33547281	-	-	-	-	N/A	-	-	Surface glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7l02	3.20 Å	2020-12-30	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-28	34019795	-	-	-	-	N/A	-	-	Spike glycoprotein; 2G12 heavy chain; 2G12 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7l06	3.30 Å	2020-12-30	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-12-10	34019795	-	-	-	-	N/A	-	-	Spike glycoprotein; 2G12 heavy chain; 2G12 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7l09	3.10 Å	2020-12-30	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-12-11	34019795	-	-	-	-	N/A	-	-	Spike glycoprotein; 2G12 heavy chain; 2G12 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7l5d	1.58 Å	2020-12-30	X-ray	XNJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.70%	20.10%	8.00%	N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide	N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide	HKL-3000	99.40%	23.1	APS (19-BM)	PHENIX	2020-12-11	34285133	-	-	-	-	N/A	-	-	3C-like proteinase	56.9	-		No	-		81.0	32.6	74.8		-
7l6r	1.98 Å	2020-12-30	X-ray	BDF, MN, SAH, GLC	SARS-CoV-2	NSP10/NSP16/RNA	Protein-protein complex	15.04%	16.64%	9.50%	RNA (5'-D((M7G))-R(P(A2M)PUPUPAPA)-3'); beta-D-fructopyranose; MANGANESE (II) ION; S-ADENOSYL-L-HOMOCYSTEINE; alpha-D-glucopyranose	beta-D-fructopyranose; MANGANESE (II) ION; S-ADENOSYL-L-HOMOCYSTEINE; alpha-D-glucopyranose	HKL-3000	100.00%	31.2	APS (21-ID-D)	REFMAC	2020-12-21	34131072	ZN; MN	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10; RNA (5'-D((M7G))-R(P(A2M)PUPUPAPA)-3')	59.9	-		No	-		95.9	12.2	86.2	RNA (5'-D((M7G))-R(P(A2M)PUPUPAPA)-3')	-
7l6t	1.78 Å	2021-01-06	X-ray	BDF, FMT, SAH, GLC	SARS-CoV-2	NSP10/NSP16/RNA	Protein-protein complex	14.08%	16.15%	9.00%	RNA (5'-D((M7G))-R(P(A2M)PUPUP*A)-3'); S-ADENOSYL-L-HOMOCYSTEINE; alpha-D-glucopyranose; beta-D-fructopyranose; FORMIC ACID	beta-D-fructopyranose; FORMIC ACID; S-ADENOSYL-L-HOMOCYSTEINE; alpha-D-glucopyranose	HKL-3000	96.60%	20.8	APS (21-ID-D)	REFMAC	2020-12-23	34131072	ZN; MG	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10; RNA (5'-D((M7G))-R(P(A2M)PUPUP*A)-3')	65.8	-		No	-		96.8	17.0	92.5	RNA (5'-D((M7G))-R(P(A2M)PUPUP*A)-3')	-
5s18	1.13 Å	2021-01-06	X-ray	WOY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.53%	21.14%	10.40%	6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine	6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine	XDS	99.90%	5.7	Diamond (I04-1)	BUSTER	2020-12-23	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	63.4	-		No	-		72.9	52.1	76.6		-
5s1a	1.08 Å	2021-01-13	X-ray	WPS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.61%	21.10%	10.10%	5-amino-3-methyl-1H-pyrazole-4-carbonitrile	5-amino-3-methyl-1H-pyrazole-4-carbonitrile	XDS	99.70%	4.8	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	69.0	-		No	-		73.2	55.5	84.9		-
5s1c	1.17 Å	2021-01-13	X-ray	WPV	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.55%	20.16%	8.90%	1-(5-bromopyridin-3-yl)methanamine	1-(5-bromopyridin-3-yl)methanamine	XDS	99.00%	5.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	81.6	-		No	-		80.6	71.3	96.7		-
5s1e	1.17 Å	2021-01-13	X-ray	WPY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.39%	21.51%	12.30%	N-(1,3-thiazol-2-yl)acetamide	N-(1,3-thiazol-2-yl)acetamide	XDS	100.00%	4.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.3	-		No	-		69.6	67.0	87.1		-
5s1g	1.11 Å	2021-01-13	X-ray	WQ1	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.41%	19.65%	10.40%	(4-methylpyridin-3-yl)methanol	(4-methylpyridin-3-yl)methanol	XDS	99.40%	4.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	81.0	-		No	-		84.0	67.0	95.3		-
5s1i	1.07 Å	2021-01-13	X-ray	WQ4	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.47%	19.40%	8.70%	5-amino-2-methyl-1,3-oxazole-4-carbonitrile	5-amino-2-methyl-1,3-oxazole-4-carbonitrile	XDS	97.40%	5.9	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.4	-		No	-		85.5	75.9	90.4		-
5s1k	1.08 Å	2021-01-13	X-ray	WQ7	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.05%	20.53%	9.20%	1-(2-aminoethyl)pyridin-2(1H)-one	1-(2-aminoethyl)pyridin-2(1H)-one	XDS	96.60%	5.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	73.0	-		No	-		77.9	55.5	89.4		-
5s1m	1.18 Å	2021-01-13	X-ray	DE5	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.85%	20.45%	10.90%	2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide	2-azanyl-~{N}-(1,3-thiazol-2-yl)ethanamide	XDS	99.90%	4.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	74.5	-		No	-		78.5	52.1	96.0		-
5s1o	1.09 Å	2021-01-13	X-ray	WQA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.65%	20.87%	9.50%	2H-pyrazolo[3,4-b]pyridin-5-amine	2H-pyrazolo[3,4-b]pyridin-5-amine	XDS	99.50%	5.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.7	-		No	-		75.2	71.3	92.0		-
5s1q	1.13 Å	2021-01-13	X-ray	WQG	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.43%	20.99%	9.90%	quinazolin-4(3H)-one	quinazolin-4(3H)-one	XDS	99.90%	5.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	71.1	-		No	-		74.2	59.2	84.9		-
5s1s	1.16 Å	2021-01-13	X-ray	WQJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.02%	20.18%	11.70%	7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine	7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-amine	XDS	99.60%	4.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	80.6	-		No	-		80.5	71.3	93.2		-
5s1u	1.08 Å	2021-01-13	X-ray	WQM	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.53%	19.67%	8.90%	(3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide	(3S)-N-methyl-6-oxo-3,6-dihydropyridine-3-carboxamide	XDS	95.70%	5.2	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	78.8	-		No	-		83.9	67.0	88.0		-
5s1w	1.14 Å	2021-01-13	X-ray	WQV	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.78%	20.39%	9.30%	N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide	N-(5-bromo-2-oxo-1,2-dihydropyridin-3-yl)acetamide	XDS	99.90%	5.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	77.6	-		No	-		79.0	62.9	93.2		-
5s1y	1.09 Å	2021-01-13	X-ray	WQY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.92%	20.03%	14.40%	1-(quinolin-3-yl)methanamine	1-(quinolin-3-yl)methanamine	XDS	99.10%	3.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	74.1	-		No	-		81.5	62.9	81.2		-
5s20	1.04 Å	2021-01-13	X-ray	WRD	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.64%	19.61%	7.50%	(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol	(5R)-5-amino-5,6,7,8-tetrahydronaphthalen-1-ol	XDS	96.80%	8.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	82.2	-		No	-		84.2	75.9	90.8		-
5s22	1.18 Å	2021-01-13	X-ray	WRJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.29%	21.77%	13.90%	2H-1-benzopyran-3-carboxamide	2H-1-benzopyran-3-carboxamide	XDS	99.90%	3.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	-	-		No	-		67.4	-	90.6		-
5s24	1.14 Å	2021-01-13	X-ray	WRM	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.47%	22.21%	9.70%	2-(1H-benzimidazol-1-yl)-N-methylacetamide	2-(1H-benzimidazol-1-yl)-N-methylacetamide	XDS	99.90%	5.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	62.7	-		No	-		63.0	46.0	91.1		-
5s26	1.12 Å	2021-01-13	X-ray	L46	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.34%	20.83%	9.30%	4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide	4-acetyl-3-ethyl-N,5-dimethyl-1H-pyrrole-2-carboxamide	XDS	99.00%	4.8	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	75.5	-		No	-		75.4	62.9	90.8		-
5s27	1.13 Å	2021-01-13	X-ray	WSM	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.93%	21.66%	11.60%	4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one	4-(3-aminopropyl)-2H-1,4-benzoxazin-3(4H)-one	XDS	98.50%	3.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	69.3	-		No	-		68.4	52.1	93.8		-
5s28	1.09 Å	2021-01-13	X-ray	WRV	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.10%	21.46%	7.70%	N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea	N-(3-fluoro-4-methylphenyl)-N'-[(2S)-1-hydroxypropan-2-yl]urea	XDS	99.50%	7.1	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	71.1	-		No	-		70.2	62.9	85.3		-
5s29	1.30 Å	2021-01-13	X-ray	WRY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.76%	22.21%	18.10%	7-fluoro-N,2-dimethylquinoline-3-carboxamide	7-fluoro-N,2-dimethylquinoline-3-carboxamide	XDS	99.30%	2.8	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	70.6	-		No	-		63.0	67.0	87.2		-
5s2a	1.08 Å	2021-01-13	X-ray	WS4	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.49%	21.06%	8.60%	N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide	N-(4-hydroxyphenyl)-1-methyl-1H-pyrazole-4-carboxamide	XDS	99.70%	5.8	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	66.6	-		No	-		73.6	52.1	82.5		-
5s2b	1.11 Å	2021-01-13	X-ray	WSG	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.01%	20.82%	11.50%	N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide	N-(1-ethyl-1H-pyrazol-4-yl)-4-fluorobenzamide	XDS	99.90%	5.1	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	69.9	-		No	-		75.5	52.1	87.9		-
5s2c	1.09 Å	2021-01-13	X-ray	WSJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.28%	20.73%	9.20%	N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide	N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)methanesulfonamide	XDS	99.40%	5.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3	77.7	-		No	-		76.3	67.0	92.0		-
5s2d	1.06 Å	2021-01-13	X-ray	U0P	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.49%	19.31%	7.90%	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea	N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea	XDS	99.10%	7.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.2	-		No	-		86.1	71.3	93.4		-
5s2e	1.12 Å	2021-01-13	X-ray	VZM	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.97%	20.91%	11.30%	N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea	N-(6-methoxypyridin-3-yl)-N'-thiophen-2-ylurea	XDS	99.80%	5.3	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	74.1	-		No	-		74.7	62.9	88.1		-
5s2f	1.19 Å	2021-01-13	X-ray	K0G	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.00%	21.46%	11.60%	N-phenyl-N'-pyridin-3-ylurea	N-phenyl-N'-pyridin-3-ylurea	XDS	99.80%	3.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	77.8	-		No	-		70.2	71.3	94.3		-
5s2g	1.19 Å	2021-01-13	X-ray	JHJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.25%	21.22%	15.30%	N-(4-methoxyphenyl)-N'-pyridin-4-ylurea	N-(4-methoxyphenyl)-N'-pyridin-4-ylurea	XDS	100.00%	4.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	67.9	-		No	-		72.2	43.3	95.7		-
5s2h	1.07 Å	2021-01-13	X-ray	VWV	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.39%	20.58%	8.00%	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate	ethyl (1,1-dioxo-1lambda~6~,4-thiazinan-4-yl)acetate	XDS	98.70%	7.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	75.2	-		No	-		77.6	55.5	95.2		-
5s2i	1.08 Å	2021-01-13	X-ray	LUY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.40%	20.78%	7.90%	~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine	~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine	XDS	99.50%	7.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	73.3	-		No	-		76.0	59.2	88.5		-
5s2j	1.11 Å	2021-01-13	X-ray	JGG	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.47%	20.49%	8.80%	N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide	N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide	XDS	99.00%	5.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	83.0	-		No	-		78.3	80.4	96.2		-
5s2k	1.10 Å	2021-01-13	X-ray	VZP	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.27%	19.25%	8.00%	N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea	N-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-methyl-N'-propan-2-ylurea	XDS	99.90%	6.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	83.9	-		No	-		86.4	75.9	97.0		-
5s2l	1.08 Å	2021-01-13	X-ray	VZS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.65%	19.80%	7.90%	N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea	N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea	XDS	97.40%	8.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	69.9	-		No	-		83.0	38.3	94.0		-
5s2m	1.14 Å	2021-01-13	X-ray	VZY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.54%	19.67%	9.30%	N-(3-methylbenzene-1-carbonyl)glycine	N-(3-methylbenzene-1-carbonyl)glycine	XDS	99.20%	4.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.6	-		No	-		83.9	62.9	98.0		-
5s2n	1.13 Å	2021-01-13	X-ray	GWY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.53%	20.39%	9.40%	5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine	5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine	XDS	99.60%	4.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	81.7	-		No	-		79.0	80.4	89.6		-
5s2o	1.09 Å	2021-01-13	X-ray	NXS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.09%	19.54%	5.80%	[1-(pyrimidin-2-yl)piperidin-4-yl]methanol	[1-(pyrimidin-2-yl)piperidin-4-yl]methanol	XDS	99.30%	9.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.2	-		No	-		84.7	71.3	95.0		-
5s2p	1.03 Å	2021-01-13	X-ray	W04	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.92%	19.23%	7.70%	N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide	N~2~-methyl-N-(4-methylpyridin-2-yl)glycinamide	XDS	98.30%	7.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.6	-		No	-		86.5	71.3	95.0		-
5s2q	1.28 Å	2021-01-13	X-ray	W0A	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.32%	19.48%	13.30%	N-[(1H-benzimidazol-2-yl)methyl]butanamide	N-[(1H-benzimidazol-2-yl)methyl]butanamide	XDS	99.90%	7.2	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.3	-		No	-		85.1	80.4	78.2		-
5s2r	1.13 Å	2021-01-13	X-ray	K41	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.32%	20.19%	9.10%	2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide	2-methyl-N-(2-methyl-2H-tetrazol-5-yl)propanamide	XDS	99.90%	5.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	79.5	-		No	-		80.5	71.3	89.2		-
5s2s	1.10 Å	2021-01-13	X-ray	GWV	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.66%	19.43%	9.00%	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline	~{N},~{N}-dimethyl-4-[(propan-2-ylamino)methyl]aniline	XDS	99.90%	6.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	75.4	-		No	-		85.4	48.9	94.5		-
5s2t	1.11 Å	2021-01-13	X-ray	W0D	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.84%	21.30%	9.10%	N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide	N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide	XDS	98.60%	6.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	63.8	-		No	-		71.4	43.3	87.6		-
5s2u	1.03 Å	2021-01-13	X-ray	VXD	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.39%	19.27%	6.70%	N-(3-chloro-2-methylphenyl)glycinamide	N-(3-chloro-2-methylphenyl)glycinamide	XDS	98.00%	8.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.1	-		No	-		86.3	67.0	97.3		-
5s2v	1.08 Å	2021-01-13	X-ray	W0G	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.57%	19.61%	9.30%	(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one	(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one	XDS	100.00%	6.3	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	74.2	-		No	-		84.2	48.9	92.6		-
5s2w	1.08 Å	2021-01-13	X-ray	GWP	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.80%	20.14%	7.80%	2-cyclopropyl-1~{H}-imidazole-4-carboxamide	2-cyclopropyl-1~{H}-imidazole-4-carboxamide	XDS	99.50%	6.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	77.7	-		No	-		80.7	62.9	91.9		-
5s2x	1.06 Å	2021-01-13	X-ray	W0J	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.34%	19.25%	8.20%	(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine	(3R)-N-methyl-1-(pyridazin-3-yl)piperidin-3-amine	XDS	99.70%	6.9	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	83.6	-		No	-		86.4	75.9	94.9		-
5s2y	1.05 Å	2021-01-13	X-ray	W0M	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.94%	20.30%	8.30%	(2R)-2-(4-chlorophenoxy)propanamide	(2R)-2-(4-chlorophenoxy)propanamide	XDS	98.90%	7.3	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	72.5	-		No	-		79.6	59.2	82.8		-
5s2z	1.07 Å	2021-01-13	X-ray	T6J	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.82%	20.05%	8.40%	2-[(methylsulfonyl)methyl]-1H-benzimidazole	2-[(methylsulfonyl)methyl]-1H-benzimidazole	XDS	99.90%	7.2	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	71.9	-		No	-		81.4	52.1	86.7		-
5s30	1.19 Å	2021-01-13	X-ray	W0P	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.53%	20.74%	10.00%	(2R)-2-(2-fluorophenoxy)propanoic acid	(2R)-2-(2-fluorophenoxy)propanoic acid	XDS	99.90%	4.3	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	75.5	-		No	-		76.2	67.0	85.9		-
5s31	1.15 Å	2021-01-13	X-ray	W0S	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.06%	22.19%	7.60%	1-(3,4,5-trimethoxyphenyl)methanamine	1-(3,4,5-trimethoxyphenyl)methanamine	XDS	88.40%	7.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	64.8	-		No	-		63.4	55.5	85.5		-
5s32	1.17 Å	2021-01-13	X-ray	W0V	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	20.13%	23.64%	53.20%	N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide	N-[(1H-benzimidazol-2-yl)methyl]-2-methylpropanamide	XDS	98.40%	3.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	34.3	-		No	-		48.5	11.9	84.3		-
5s33	1.06 Å	2021-01-13	X-ray	K2G	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.43%	20.57%	7.40%	5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide	5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide	XDS	99.60%	6.9	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	77.1	-		No	-		77.6	62.9	93.1		-
5s34	1.06 Å	2021-01-13	X-ray	GOV	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.78%	19.35%	7.60%	(2~{S})-1-(1,3-benzodioxol-5-ylmethylamino)propan-2-ol	(2~{S})-1-(1,3-benzodioxol-5-ylmethylamino)propan-2-ol	XDS	97.50%	7.3	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	83.2	-		No	-		85.9	71.3	98.2		-
5s35	1.10 Å	2021-01-13	X-ray	B1A	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.51%	21.32%	9.40%	~{N}-(4-phenylazanylphenyl)ethanamide	~{N}-(4-phenylazanylphenyl)ethanamide	XDS	99.40%	6.1	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	63.3	-		No	-		71.3	34.2	95.8		-
5s36	1.06 Å	2021-01-13	X-ray	7ZC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.31%	20.93%	7.80%	1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine	1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine	XDS	99.20%	8.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	79.8	-		No	-		74.6	71.3	96.0		-
5s37	1.22 Å	2021-01-13	X-ray	NZ1	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.72%	20.53%	11.30%	5-methoxy-1,3-benzothiazol-2-amine	5-methoxy-1,3-benzothiazol-2-amine	XDS	99.90%	6.2	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	76.8	-		No	-		77.9	67.0	87.9		-
5s38	1.07 Å	2021-01-13	X-ray	S7J	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.32%	20.26%	7.50%	2-(trifluoromethyl)pyrimidine-5-carboxamide	2-(trifluoromethyl)pyrimidine-5-carboxamide	XDS	99.60%	7.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	71.0	-		No	-		79.9	59.2	78.8		-
5s39	1.16 Å	2021-01-13	X-ray	W0Y	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.25%	20.62%	10.30%	N-methyl-4-sulfamoylbenzamide	N-methyl-4-sulfamoylbenzamide	XDS	99.70%	4.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	68.0	-		No	-		77.1	48.9	85.2		-
5s3a	1.18 Å	2021-01-13	X-ray	W17	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.72%	20.88%	12.40%	1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide	1-(2-hydroxyethyl)-1H-pyrazole-4-carboxamide	XDS	99.90%	4.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	73.0	-		No	-		75.1	59.2	88.5		-
5s3b	1.09 Å	2021-01-13	X-ray	W1A	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.16%	19.33%	8.40%	N-[(piperidin-4-yl)methyl]methanesulfonamide	N-[(piperidin-4-yl)methyl]methanesulfonamide	XDS	96.60%	5.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.1	-		No	-		86.0	75.9	88.5		-
5s3c	1.19 Å	2021-01-13	X-ray	W1D	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.99%	22.67%	11.50%	(4-acetylphenoxy)acetic acid	(4-acetylphenoxy)acetic acid	XDS	99.50%	3.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	51.1	-		No	-		58.5	40.7	77.9		-
5s3d	1.19 Å	2021-01-13	X-ray	JFP	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.89%	21.27%	11.30%	N-(4-methyl-1,3-thiazol-2-yl)propanamide	N-(4-methyl-1,3-thiazol-2-yl)propanamide	XDS	99.70%	3.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	52.6	-		No	-		71.8	36.0	72.3		-
5s3e	1.05 Å	2021-01-13	X-ray	WSY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.32%	20.73%	6.80%	3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid	3-(3,5-dimethyl-1H-1,2,4-triazol-1-yl)propanoic acid	XDS	98.90%	8.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	72.8	-		No	-		76.3	55.5	90.6		-
5s3f	1.16 Å	2021-01-13	X-ray	W1J	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.53%	19.43%	17.60%	N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide	N-(2-propyl-2H-tetrazol-5-yl)furan-2-carboxamide	XDS	99.50%	4.2	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.2	-		No	-		85.4	62.9	95.0		-
5s3g	1.14 Å	2021-01-13	X-ray	JHS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.08%	19.67%	9.00%	N-[(4-phenyloxan-4-yl)methyl]acetamide	N-[(4-phenyloxan-4-yl)methyl]acetamide	XDS	94.20%	6.2	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	79.2	-		No	-		83.9	62.9	93.2		-
5s3h	1.19 Å	2021-01-13	X-ray	W1M	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.61%	21.04%	12.80%	3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid	3-[(1-methyl-1H-pyrazole-3-carbonyl)amino]benzoic acid	XDS	99.90%	3.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	77.2	-		No	-		73.7	71.3	88.9		-
5s3i	1.17 Å	2021-01-13	X-ray	W1P	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.72%	20.07%	11.80%	5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one	5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one	XDS	99.90%	5.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	71.5	-		No	-		81.3	45.9	91.9		-
5s3j	1.09 Å	2021-01-13	X-ray	W1S	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.42%	19.67%	8.90%	(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide	(8S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridine-8-carboxamide	XDS	95.90%	4.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	81.5	-		No	-		83.9	67.0	97.5		-
5s3k	1.17 Å	2021-01-13	X-ray	RZS, NHE	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.92%	19.62%	11.40%	6-(ethylamino)pyridine-3-carbonitrile; 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	6-(ethylamino)pyridine-3-carbonitrile; 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	XDS	100.00%	6.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.8	-		No	-		84.2	67.0	94.3		-
5s3l	1.09 Å	2021-01-13	X-ray	JH4	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.04%	19.64%	9.90%	N-methylpyrimidin-2-amine	N-methylpyrimidin-2-amine	XDS	99.70%	5.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.1	-		No	-		84.1	71.3	95.3		-
5s3m	1.26 Å	2021-01-13	X-ray	S2S	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.58%	20.69%	15.90%	4-(methylsulfonylamino)benzamide	4-(methylsulfonylamino)benzamide	XDS	99.90%	3.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.2	-		No	-		76.7	84.9	81.8		-
5s3n	1.19 Å	2021-01-13	X-ray	W1V	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.34%	20.02%	11.10%	2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide	2-(1,3,5-trimethyl-1H-pyrazol-4-yl)acetamide	XDS	99.80%	4.1	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.5	-		No	-		81.5	67.0	96.2		-
5s3o	1.19 Å	2021-01-13	X-ray	W1Y	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.70%	19.55%	14.60%	N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine	N-methyl-1-(1-phenyl-1H-pyrazol-4-yl)methanamine	XDS	100.00%	5.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	78.9	-		No	-		84.7	67.0	87.5		-
5s3p	1.10 Å	2021-01-13	X-ray	W21	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.16%	19.37%	7.60%	N-(cyclopentanecarbonyl)-L-alanine	N-(cyclopentanecarbonyl)-L-alanine	XDS	100.00%	7.9	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.8	-		No	-		85.8	62.9	96.8		-
5s3q	1.09 Å	2021-01-13	X-ray	W2A	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.47%	19.57%	9.30%	(2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile	(2R,3R)-2-methyl-1-(methylsulfonyl)piperidine-3-carbonitrile	XDS	100.00%	6.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	84.0	-		No	-		84.6	80.4	95.0		-
5s3r	1.04 Å	2021-01-13	X-ray	W24	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.00%	20.14%	8.50%	(2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide	(2S,3S)-N,2-dimethyl-1-(methylsulfonyl)piperidine-3-carboxamide	XDS	97.70%	6.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	83.1	-		No	-		80.7	75.9	98.5		-
5s3s	1.04 Å	2021-01-13	X-ray	W27	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.83%	20.86%	6.10%	1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one	1-[(5S,8R)-6,7,8,9-tetrahydro-5H-5,8-epiminocyclohepta[b]pyridin-10-yl]ethan-1-one	XDS	94.30%	9.9	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	71.0	-		No	-		75.2	59.2	83.7		-
5s3t	1.08 Å	2021-01-13	X-ray	W2G	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.03%	18.82%	12.30%	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid	(1R,2S)-2-(thiophen-3-yl)cyclopentane-1-carboxylic acid	XDS	96.70%	4.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.7	-		No	-		88.7	67.0	89.7		-
5s3u	1.08 Å	2021-01-13	X-ray	W2J	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.55%	19.26%	11.30%	[(3R,5R)-5-methylpiperidin-3-yl]methanol	[(3R,5R)-5-methylpiperidin-3-yl]methanol	XDS	98.80%	5.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	72.4	-		No	-		86.4	40.7	94.3		-
5s3v	1.12 Å	2021-01-13	X-ray	W2M	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.90%	19.47%	11.10%	(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one	(2R)-1',4'-dihydro-2'H-spiro[pyrrolidine-2,3'-quinolin]-2'-one	XDS	99.30%	4.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	84.2	-		No	-		85.2	84.9	91.0		-
5s3w	0.99 Å	2021-01-13	X-ray	W2S	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.73%	18.61%	7.50%	(3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid	(3R,4R)-4-(2-methylphenyl)oxolane-3-carboxylic acid	XDS	91.60%	8.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	81.8	-		No	-		89.7	71.3	88.5		-
5s3x	1.13 Å	2021-01-13	X-ray	W2V	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.69%	19.70%	10.10%	(3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid	(3S,4S)-4-(3-methoxyphenyl)oxane-3-carboxylic acid	XDS	99.70%	7.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	80.5	-		No	-		83.7	62.9	98.0		-
5s3y	1.11 Å	2021-01-13	X-ray	W2Y	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.02%	19.75%	11.60%	(2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide	(2S,3S)-2-methyl-1-(methylsulfonyl)piperidine-3-carboxamide	XDS	95.40%	4.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.4	-		No	-		83.4	75.9	92.6		-
5s3z	1.31 Å	2021-01-13	X-ray	W34	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.30%	18.58%	49.10%	(3R,4S)-4-(3-methoxyphenyl)oxan-3-amine	(3R,4S)-4-(3-methoxyphenyl)oxan-3-amine	XDS	96.40%	5.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	85.6	-		No	-		89.9	89.6	89.6		-
5s40	1.19 Å	2021-01-13	X-ray	HHQ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.68%	20.43%	14.50%	4-iodanyl-3~{H}-pyridin-2-one	4-iodanyl-3~{H}-pyridin-2-one	XDS	99.40%	3.3	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	78.7	-		No	-		78.6	67.0	92.9		-
5s41	1.19 Å	2021-01-13	X-ray	HGQ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.74%	21.26%	16.30%	4-bromanyl-1~{H}-pyridin-2-one	4-bromanyl-1~{H}-pyridin-2-one	XDS	99.90%	3.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	72.7	-		No	-		71.9	62.9	87.4		-
5s42	1.09 Å	2021-01-13	X-ray	HH8	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.54%	19.54%	8.70%	4-bromanyl-1,8-naphthyridine	4-bromanyl-1,8-naphthyridine	XDS	99.50%	5.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	79.9	-		No	-		84.7	62.9	95.0		-
5s43	1.11 Å	2021-01-13	X-ray	UUJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.67%	20.10%	7.70%	5-bromo-2-hydroxybenzonitrile	5-bromo-2-hydroxybenzonitrile	XDS	98.90%	5.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	77.7	-		No	-		81.0	59.2	95.3		-
5s44	1.06 Å	2021-01-13	X-ray	W3A	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.56%	20.09%	8.90%	(4-bromo-1H-pyrazol-1-yl)acetic acid	(4-bromo-1H-pyrazol-1-yl)acetic acid	XDS	96.90%	6.3	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	66.2	-		No	-		81.2	34.2	91.9		-
5s45	1.16 Å	2021-01-13	X-ray	W3D	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.05%	20.83%	7.70%	(4-bromo-2-oxopyridin-1(2H)-yl)acetic acid	(4-bromo-2-oxopyridin-1(2H)-yl)acetic acid	XDS	99.50%	8.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	68.9	-		No	-		75.4	46.0	91.9		-
5s46	1.19 Å	2021-01-13	X-ray	HYN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.16%	20.55%	13.50%	imidazolidine-2,4-dione	imidazolidine-2,4-dione	XDS	99.90%	3.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	77.4	-		No	-		77.7	71.3	85.6		-
5s47	1.09 Å	2021-01-13	X-ray	BAQ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.65%	19.65%	9.40%	pyrrolidin-2-one	pyrrolidin-2-one	XDS	98.40%	6.4	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	85.0	-		No	-		84.0	84.9	96.6		-
5s48	1.07 Å	2021-01-13	X-ray	HRZ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.59%	19.92%	14.70%	1~{H}-pyridin-2-one	1~{H}-pyridin-2-one	XDS	96.90%	3.1	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	81.9	-		No	-		82.2	75.9	91.7		-
5s49	1.03 Å	2021-01-13	X-ray	3TR	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.90%	19.74%	10.80%	3-AMINO-1,2,4-TRIAZOLE	3-AMINO-1,2,4-TRIAZOLE	XDS	94.40%	6.3	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	56.7	-		No	-		83.4	24.2	80.4		-
5s4a	1.08 Å	2021-01-13	X-ray	4AP	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.42%	19.22%	8.00%	4-AMINOPYRIDINE	4-AMINOPYRIDINE	XDS	98.10%	5.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.9	-		No	-		86.6	71.3	96.2		-
5s4b	1.19 Å	2021-01-13	X-ray	W3G	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.68%	20.78%	13.20%	pyridazin-3(2H)-one	pyridazin-3(2H)-one	XDS	99.10%	3.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	73.2	-		No	-		76.0	59.2	88.1		-
5s4c	1.01 Å	2021-01-13	X-ray	W3J	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.44%	18.28%	7.90%	1,4,5,6-tetrahydropyrimidin-2-amine	1,4,5,6-tetrahydropyrimidin-2-amine	XDS	96.20%	7.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	79.3	-		No	-		91.1	52.4	96.9		-
5s4d	1.22 Å	2021-01-13	X-ray	2OP, LAC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.50%	20.60%	10.80%	(2S)-2-HYDROXYPROPANOIC ACID; LACTIC ACID	(2S)-2-HYDROXYPROPANOIC ACID; LACTIC ACID	XDS	100.00%	5.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	76.6	-		No	-		77.3	71.3	83.6		-
5s4e	1.07 Å	2021-01-13	X-ray	W3M	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.38%	19.55%	9.60%	1H-imidazole-5-carbonitrile	1H-imidazole-5-carbonitrile	XDS	99.50%	6.7	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.3	-		No	-		84.7	75.9	91.1		-
5s4f	1.13 Å	2021-01-13	X-ray	W3P	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.37%	21.28%	11.00%	1,8-naphthyridine	1,8-naphthyridine	XDS	99.90%	4.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	70.8	-		No	-		71.8	59.2	86.6		-
5s4g	1.17 Å	2021-01-13	X-ray	W3S	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	18.53%	22.38%	12.00%	[1,2,4]triazolo[4,3-a]pyridin-3-amine	[1,2,4]triazolo[4,3-a]pyridin-3-amine	XDS	98.70%	3.5	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	-	-		No	-		61.5	-	85.4		-
5s4h	1.18 Å	2021-01-13	X-ray	W3V	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.89%	22.26%	6.80%	1-carbamoylpiperidine-4-carboxylic acid	1-carbamoylpiperidine-4-carboxylic acid	XDS	90.80%	8.6	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	74.3	-		No	-		62.6	71.3	92.2		-
5s4i	1.13 Å	2021-01-13	X-ray	W3Y	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.64%	20.37%	6.70%	(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione	(5S)-1-(4-chlorophenyl)-5-methylimidazolidine-2,4-dione	XDS	99.30%	9.8	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	76.3	-		No	-		79.1	62.9	89.2		-
5s4j	1.12 Å	2021-01-13	X-ray	W41	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.10%	20.20%	8.50%	6-chlorotetrazolo[1,5-b]pyridazine	6-chlorotetrazolo[1,5-b]pyridazine	XDS	99.30%	6.0	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	72.1	-		No	-		80.3	52.1	88.1		-
5s4k	1.08 Å	2021-01-13	X-ray	W44	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.62%	20.93%	9.40%	(2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol	(2S,5R,6R)-7-methyl-2,3,4,5,6,7-hexahydro-1H-2,6-methanoazocino[5,4-b]indol-5-ol	XDS	99.60%	6.8	Diamond (I04-1)	BUSTER	2020-11-02	33853786	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	70.6	-		No	-		74.6	48.9	93.5		-
5s73	1.06 Å	2021-01-13	X-ray	-	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	20.09%	22.34%	7.70%		-	XDS	99.60%	6.3	Diamond (I04-1)	REFMAC	2020-11-02	-	-	-	-	-	N/A	-	-	Non-structural protein 3	66.8	-		No	-	-	61.8	75.9	70.9		-
5s74	0.96 Å	2021-01-13	X-ray	-	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.65%	18.52%	7.40%		-	XDS	80.80%	9.1	Diamond (I04-1)	REFMAC	2020-11-23	-	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	75.8	-		No	-	-	90.1	75.9	64.1		-
6lnn	2.63 Å	2021-01-13	X-ray	EJC	MERS-CoV	Nucleocapsid	Functional ligand	20.54%	24.16%	10.20%	5-propoxy-1H-indole	5-propoxy-1H-indole	HKL-2000	98.90%	8.2	NSRRC (TPS 05A)	PHENIX	2020-11-23	35517857	-	-	-	-	N/A	-	-	Nucleoprotein	50.6	-		No	-		43.4	86.0	46.9		-
7b3e	1.77 Å	2021-01-13	X-ray	MYC, NA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.12%	20.38%	11.00%	SODIUM ION; 3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE; SODIUM ION	XDS	100.00%	11.3	ELETTRA (11.2C)	PHENIX; PHENIX	2019-12-31	35287429	-	-	-	-	N/A	-	-	Main Protease	66.4	-		No	-		79.1	53.5	75.1		-
7b83	1.80 Å	2021-01-13	X-ray	PK8, IMD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.41%	20.67%	10.70%	9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene; IMIDAZOLE	9-oxa-7-thia-1-azonia-8$l^{2}-zincabicyclo[4.3.0]nona-1,3,5-triene; IMIDAZOLE	XDS	99.40%	8.8	PETRA III, DESY (P11)	PHENIX	2020-11-30	33811162	-	-	-	-	N/A	-	-	ORF1ab polyprotein	68.1	-		No	-		76.8	68.7	66.0		-
7bf3	2.00 Å	2021-01-13	X-ray	ADN	SARS-CoV-2	NSP3: Macro	Functional ligand	17.54%	21.74%	12.70%	ADENOSINE	ADENOSINE	XDS	100.00%	10.9	SLS (X06SA)	REFMAC	2020-12-12	33850605	MG	-	-	-	N/A	-	-	NSP3 macrodomain	77.4	-		No	-		67.6	79.2	87.9		-
7bf4	1.55 Å	2021-01-13	X-ray	5GP	SARS-CoV-2	NSP3: Macro	Functional ligand	13.84%	17.43%	6.40%	GUANOSINE-5'-MONOPHOSPHATE	GUANOSINE-5'-MONOPHOSPHATE	XDS	99.20%	13.8	SLS (X06DA)	REFMAC	2020-12-31	33850605	-	-	-	-	N/A	-	-	NSP3 macrodomain	80.2	-		No	-		94.0	71.9	77.4		-
7bf5	2.05 Å	2021-01-13	X-ray	A2R	SARS-CoV-2	NSP3: Macro	Functional ligand	17.72%	21.68%	14.10%	[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE	[(2R,3R,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3-HYDROXY-4-(PHOSPHONOOXY)TETRAHYDROFURAN-2-YL]METHYL [(2R,3S,4R,5R)-3,4,5-TRIHYDROXYTETRAHYDROFURAN-2-YL]METHYL DIHYDROGEN DIPHOSPHATE	XDS	99.70%	8.3	SLS (X06SA)	REFMAC	2020-12-31	33850605	MG	-	-	-	N/A	-	-	NSP3 macrodomain	78.6	-		No	-		68.2	84.4	85.7		-
7bf6	2.15 Å	2021-01-13	X-ray	F86	SARS-CoV-2	NSP3: Macro	Functional ligand	18.03%	22.58%	9.00%	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate	[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methyl dihydrogen phosphate	XDS	99.10%	10.7	SLS (X06SA)	REFMAC	2020-12-31	33850605	-	-	-	-	N/A	-	-	NSP3 macrodomain	76.6	-		No	-		59.5	80.7	92.1		-
7k0f	1.65 Å	2021-01-13	X-ray	VR4, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.05%	22.52%	6.10%	N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide	N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide; TETRAETHYLENE GLYCOL	XDS	98.30%	10.7	NSLS-II (17-ID-1)	PHENIX	2020-12-31	34210738	-	-	-	-	N/A	-	-	3C-like proteinase	64.7	-		No	-		60.0	63.5	80.7		-
7cm4	2.71 Å	2021-01-13	X-ray	NI	SARS-CoV-2	Spike	Protein-protein complex	21.66%	24.18%	N/A	NICKEL (II) ION	NICKEL (II) ION	XDS	99.78%	12.44	PAL/PLS (5C (4A))	Coot; PHENIX	2020-09-04	33436577	NI	-	-	-	N/A	-	-	Spike glycoprotein; IgG heavy chain; IgG light chain	41.1	-		No	-		43.3	38.8	76.0		-
7kn5	1.87 Å	2021-01-20	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	17.68%	21.33%	8.40%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	95.10%	29.0	SSRL (BL12-1)	PHENIX	2020-07-24	33436526	-	-	-	-	N/A	-	-	Spike protein S1; VHH E; VHH U	37.9	-		No	-		71.2	17.8	62.8		-
7kn6	2.55 Å	2021-01-20	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	19.31%	23.85%	16.40%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.00%	8.9	SSRL (BL12-1)	PHENIX	2020-11-04	33436526	-	-	-	-	N/A	-	-	Spike protein S1; VHH V; CC12.3 Fab heavy chain; CC12.3 Fab light chain	54.5	-		No	-		46.4	77.9	59.4		-
7kn7	2.73 Å	2021-01-20	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	20.33%	24.09%	18.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.10%	9.3	APS (23-ID-B)	PHENIX	2020-11-04	33436526	-	-	-	-	N/A	-	-	Spike protein S1; VHH W; CC12.3 Fab heavy chain; CC12.3 Fab light chain	51.9	-		No	-		44.1	70.1	64.4		-
7ksg	3.33 Å	2021-01-20	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-11-04	33436526	-	-	-	-	N/A	-	-	Spike glycoprotein; Nanobody against SARS-CoV-2 glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lb7	2.00 Å	2021-01-20	X-ray/N-diffr.	SV6, DOD	SARS-CoV-2/SARS-CoV-Tor2	NSP5 (3CLpro)	Functional ligand	20.40%	22.50%	8.20%		(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide; water	Mantid; CrysalisPro	96.30%	13.9	ROTATING ANODE, SPALLATION SOURCE ()	nCNS	2020-11-22	33755450	-	-	-	-	N/A	-	-	3C-like proteinase	N/A	-		No	-		N/A	N/A	N/A		-
7ldx	2.23 Å	2021-01-20	X-ray	R9V	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	24.17%	27.27%	31.80%	(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol	(3-endo)-8-benzyl-8-azabicyclo[3.2.1]octan-3-ol	XDS	61.50%	5.1	LNLS SIRUS (MANACA)	PHENIX	2021-01-07	34174328	-	-	-	-	N/A	-	-	3C-like proteinase - UNP residues 3264-3569	19.0	-		No	-		18.1	39.5	54.5		-
7c8j	3.18 Å	2021-01-27	X-ray	-	SARS-CoV-2	Spike	No functional ligands	21.85%	27.08%	16.30%		-	HKL-2000	99.90%	15.6	FREE ELECTRON LASER ()	PHENIX	2020-06-01	33335073	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme; SARS-CoV-2 Receptor binding domain - UNP residues 333-527	26.1	-		No	-		19.1	62.3	46.1		-
7cwl	3.80 Å	2021-01-27	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-29	33262452	-	-	-	-	N/A	-	-	Spike glycoprotein; Fab P17 heavy chain; Fab P17 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7de1	2.00 Å	2021-01-27	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	17.13%	22.27%	5.88%		-	HKL-3000	99.27%	18.58	ROTATING ANODE ()	PHENIX	2020-11-01	33511102	-	-	-	-	N/A	-	-	Nucleoprotein - C-terminal RNA binding domain	47.2	-		No	-		62.5	59.2	48.0		-
7kmg	2.16 Å	2021-01-27	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	20.86%	25.71%	4.00%		-	XDS	91.20%	6.2	APS (31-ID)	REFMAC	2020-11-02	33820835	-	-	-	-	N/A	-	-	LY-CoV555 Fab heavy chain; LY-CoV555 Fab light chain; Spike protein S1 - receptor-binding domain	41.0	-		No	-		28.9	45.1	83.9		-
7kmh	1.72 Å	2021-01-27	X-ray	NAG, PRO	SARS-CoV-2	Spike	Protein-protein complex	19.39%	24.23%	5.10%	2-acetamido-2-deoxy-beta-D-glucopyranose; PROLINE	2-acetamido-2-deoxy-beta-D-glucopyranose; PROLINE	XDS	98.80%	13.4	APS (31-ID)	REFMAC	2020-11-02	33820835	-	-	-	-	N/A	-	-	LY-CoV488 Fab heavy chain; LY-CoV488 Fab light chain; Spike protein S1 - receptor-binding domain	38.2	-		No	-		42.7	14.0	95.7		-
7kmi	1.73 Å	2021-01-27	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	18.59%	21.72%	3.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.70%	5.9	APS (31-ID)	REFMAC	2020-11-02	33820835	-	-	-	-	N/A	-	-	LY-CoV481 Fab heavy chain; LY-CoV481 Fab light chain; Spike protein S1 - receptor-binding domain	82.6	-		No	-		67.7	93.4	91.5		-
7lcn	3.35 Å	2021-01-27	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-11	34242577	-	-	-	-	N/A	-	-	Spike glycoprotein; DH1050.1 heavy chain; DH1050.1 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7ld1	3.40 Å	2021-01-27	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-12	34242577	-	-	-	-	N/A	-	-	Spike glycoprotein; DH1047 heavy chain; DH1047 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7lgo	2.45 Å	2021-01-27	X-ray	-	SARS-CoV-2	NSP3: NABD	No functional ligands	26.08%	31.75%	14.30%		-	HKL-3000	99.90%	17.7	ROTATING ANODE ()	PHENIX	2021-01-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3 - nucleic acid binding domain (NAB)	0.9	-		No	-	-	5.2	14.9	23.5		-
7bnm	3.60 Å	2021-02-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-22	33579792	-	-	-	-	N/A	-	-	Surface glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7bnn	3.50 Å	2021-02-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-22	33579792	-	-	-	-	N/A	-	-	Surface glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7bno	4.20 Å	2021-02-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-22	33579792	-	-	-	-	N/A	-	-	Surface glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kgj	2.30 Å	2021-02-03	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	18.59%	21.63%	10.10%		-	XDS	99.90%	14.9	APS (22-ID)	PHENIX; PHENIX	2020-10-16	34537245	-	-	-	-	N/A	-	-	Sb45, Sybody-45, Synthetic Nanobody; Spike glycoprotein - receptor binding domain	57.0	-		No	-		68.6	70.0	49.9		-
7kgk	2.60 Å	2021-02-03	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	25.80%	27.64%	8.00%		-	XDS	98.80%	18.0	APS (22-ID)	PHENIX; PHENIX	2020-10-16	34537245	-	-	-	-	N/A	-	-	Sb16, Sybody-16, Synthetic Nanobody; Spike protein S1 - receptor binding domain	7.7	-		No	-		15.9	22.7	42.1		-
7klw	2.60 Å	2021-02-03	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	20.61%	25.48%	9.50%		-	XDS	98.80%	13.1	APS (22-ID)	PHENIX	2020-11-01	34537245	-	-	-	-	N/A	-	-	SB68, Synthetic nanobody; SB45, Synthetic Nanobody; Spike protein S1 - RBD domain	41.2	-		No	-		31.1	91.6	35.6		-
7kxj	6.40 Å	2021-02-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-12-04	34329642	-	-	-	-	N/A	-	-	Fab 15033-7 heavy chain; Fab 15033-7 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kxk	5.00 Å	2021-02-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-12-04	34329642	-	-	-	-	N/A	-	-	Fab 15033-7 heavy chain; Fab 15033-7 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kzb	2.83 Å	2021-02-03	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	25.13%	33.61%	14.40%		-	XDS	99.70%	12.4	Australian Synchrotron (MX2)	REFMAC	2020-12-10	34024246	-	-	-	-	N/A	-	-	Fab light chain of CR3022-B6 antibody; Fab heavy chain of CR3022-B6 antibody; Spike glycoprotein; Fab light chain of CR3014-C8 antibody; Fab heavy chain of CR3014-C8 antibody	0.6	-		No	-		4.2	22.0	13.8		-
7l3n	3.27 Å	2021-02-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2020-12-18	33024963	-	-	-	-	N/A	-	-	LY-CoV555 Fab light chain; LY-CoV555 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lfe	2.79 Å	2021-02-03	X-ray	XWS	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.50%	25.27%	19.80%	(2R,4R)-1-phenylhexahydropyrimidine-2,4-diol	(2R,4R)-1-phenylhexahydropyrimidine-2,4-diol	XDS	92.10%	9.1	LNLS SIRUS (MANACA)	PHENIX	2021-01-16	34174328	-	-	-	-	N/A	-	-	3C-like proteinase	36.1	-		No	-		32.9	57.7	57.7		-
7lfp	2.20 Å	2021-02-03	X-ray	XY4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.74%	26.10%	14.40%	N-phenyl-N'-propan-2-ylurea	N-phenyl-N'-propan-2-ylurea	XDS	96.80%	6.6	LNLS SIRUS (MANACA)	PHENIX	2021-01-18	34174328	-	-	-	-	N/A	-	-	3C-like proteinase	22.4	-		No	-		25.8	48.5	45.7		-
7b17	4.01 Å	2021-02-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-11-23	33436526	-	-	-	-	N/A	-	-	SARS-CoV-2 neutralizing biparatopic nanobody VE,nanobody E from Lama glama; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7klg	3.20 Å	2021-02-10	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	27.09%	29.02%	29.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	7.1	CLSI (08B1-1)	PHENIX	2020-10-30	34329642	-	-	-	-	N/A	-	-	Spike glycoprotein; Fab 15033 light chain; Fab 15033 heavy chain	29.4	-		No	-		9.8	64.4	60.3		-
7klh	3.00 Å	2021-02-10	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	25.61%	28.35%	17.80%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	11.18	CLSI (08B1-1)	PHENIX	2020-10-30	34329642	-	-	-	-	N/A	-	-	Spike glycoprotein; Fab 15033-7 light chain; Fab 15033-7 heavy chain	40.4	-		No	-		12.5	70.0	74.1		-
7kmk	4.20 Å	2021-02-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-11-03	34329642	-	-	-	-	N/A	-	-	Fab 15033-7 heavy chain; Fab 15033-7 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kml	3.80 Å	2021-02-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-11-03	34329642	-	-	-	-	N/A	-	-	Fab 15033-7 heavy chain; Fab 15033-7 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ks9	4.75 Å	2021-02-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-11-21	34587480	-	-	-	-	N/A	-	-	Spike glycoprotein; 910-30 Fab heavy chain; 910-30 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7l0d	2.39 Å	2021-02-10	X-ray	0EN	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.12%	26.10%	6.87%	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide	N-[(1R)-2-(tert-butylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-N-(4-tert-butylphenyl)furan-2-carboxamide	HKL-3000	87.91%	12.33	ROTATING ANODE ()	PHENIX	2020-12-11	33503819	-	-	-	-	N/A	-	-	3C-like proteinase	22.3	-		No	-		25.8	48.7	45.2		-
7l1f	3.89 Å	2021-02-10	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(PAPUPUPUPUPAPAPUPAPGPCPUPUPCPUPUPAPG)-3'); RNA (5'-R(PCPUPAPAPGPAPAPGPCPUPAPUPU(F86)(F86)(F86)*(F86))-3')	-		-	-	()	PHENIX	2020-12-14	33631104	-	-	-	-	N/A	-	-	RNA (5'-R(PAPUPUPUPUPAPAPUPAPGPCPUPUPCPUPUPAPG)-3'); RNA (5'-R(PCPUPAPAPGPAPAPGPCPUPAPUPU(F86)(F86)(F86)*(F86))-3'); Non-structural protein 7; Non-structural protein 8; RNA-directed RNA polymerase	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(PAPUPUPUPUPAPAPUPAPGPCPUPUPCPUPUPAPG)-3'); RNA (5'-R(PCPUPAPAPGPAPAPGPCPUPAPUPU(F86)(F86)(F86)*(F86))-3')	-
7l2c	3.65 Å	2021-02-10	X-ray	PGE, CAC, CA, NAG	SARS-CoV-2	Spike	Pathogen-host interaction	21.63%	27.18%	N/A	CACODYLATE ION; CALCIUM ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	TRIETHYLENE GLYCOL; CACODYLATE ION; CALCIUM ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	93.26%	2.57	APS (24-ID-C)	PHENIX	2020-12-16	33789084	CA	-	-	-	N/A	-	-	2-51 light chain; 2-51 heavy chain; Spike glycoprotein	52.4	-		No	-		18.6	87.1	74.0		-
7l5b	3.18 Å	2021-02-10	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	18.68%	23.87%	11.10%		-	XDS	99.80%	1.7	APS (24-ID-C)	PHENIX	2020-12-21	33794145	-	-	-	-	N/A	-	-	2-15 Light Chain; 2-15 Heavy chain; Spike protein S1	47.5	-		No	-		46.2	73.2	50.9		-
7bh9	2.90 Å	2021-02-17	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-11	34400835	ZN	-	-	-	N/A	-	-	Surface glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7d2z	1.97 Å	2021-02-17	X-ray	FMT	SARS-CoV-2	Spike	Protein-protein complex	18.22%	20.70%	9.07%	FORMIC ACID	FORMIC ACID	XDS	99.85%	19.48	SSRF (BL19U1)	PHENIX	2020-09-17	33657135	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor binding domain (RBD); SR31 against SARS-CoV-2 RBD, non neutralizing	38.6	-		No	-		76.5	16.2	60.6		-
7d30	2.10 Å	2021-02-17	X-ray	CD, BU2, 1PE	SARS-CoV-2	Spike	Protein-protein complex	19.49%	23.59%	14.00%	1,3-BUTANEDIOL; PENTAETHYLENE GLYCOL	CADMIUM ION; 1,3-BUTANEDIOL; PENTAETHYLENE GLYCOL	XDS	99.70%	12.6	SSRF (BL19U1)	PHENIX	2020-09-17	33657135	CD	-	-	-	N/A	-	-	Spike protein S1 - Receptor binding domain (RBD); sybody fusion of MR17-SR31 with a GS linker	40.4	-		No	-		49.1	50.4	57.0		-
7dpm	3.30 Å	2021-02-17	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	21.74%	26.33%	16.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	4.7	SSRF (BL19U1)	PHENIX	2020-12-20	34313527	-	-	-	-	N/A	-	-	Spike protein S1 - RBD domain; light chain of MW06; heavy chain of MW06	13.9	-		No	-		24.2	27.4	48.4		-
7kxb	1.55 Å	2021-02-17	X-ray	BME, XB1	SARS-CoV-2	NSP3: Macro	Functional ligand	16.06%	18.77%	12.92%	BETA-MERCAPTOETHANOL; N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea	BETA-MERCAPTOETHANOL; N-{3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]propyl}-N'-[2-(morpholin-4-yl)ethyl]thiourea	XDS	95.98%	10.39	SSRL (BL12-2)	PHENIX	2020-12-03	33636189	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	82.0	-		No	-		89.0	71.0	90.3		-
7l0n	2.78 Å	2021-02-17	X-ray	PGE, NAG, PG4, PG5, NA	SARS-CoV-2	Spike	Functional ligand	29.04%	32.47%	50.60%	TRIETHYLENE GLYCOL; 2-acetamido-2-deoxy-beta-D-glucopyranose; 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE; SODIUM ION	TRIETHYLENE GLYCOL; 2-acetamido-2-deoxy-beta-D-glucopyranose; TETRAETHYLENE GLYCOL; 1-METHOXY-2-[2-(2-METHOXY-ETHOXY]-ETHANE; SODIUM ION	XDS	94.80%	3.3	ALS (4.2.2)	REFMAC	2020-12-11	33621484	ZN; NA	-	-	-	N/A	-	-	Spike protein S1 - Binding domain; Angiotensin-converting enzyme 2; Monoclonal antibody S304 Fab heavy chain; Monoclonal antibody S304 Fab light chain; Monoclonal antibody S309 Fab heavy chain; Monoclonal antibody S309 Fab light chain	14.1	-		No	-		4.7	21.4	74.1		-
7lg7	2.30 Å	2021-02-17	X-ray	XYJ	SARS-CoV-2	NSP3: Macro	Functional ligand	17.85%	20.56%	13.71%	3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide	3-[(1,3-dimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]-N-{[2-(morpholin-4-yl)ethyl]sulfonyl}propanamide	XDS	91.72%	13.49	SSRL (BL9-2)	PHENIX	2021-01-19	33636189	-	-	-	-	N/A	-	-	Non-structural protein 3 - Macrodomain	79.9	-		No	-		77.7	71.3	93.3		-
7lkr	1.65 Å	2021-02-17	X-ray	PG4, Y91, Y8Y, Y5S, Y4D	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.02%	21.92%	9.30%	(1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; (1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	99.90%	8.6	APS (17-ID)	PHENIX	2021-02-02	34213885	-	-	-	-	N/A	-	-	3C-like proteinase	67.2	-		No	-		65.8	53.1	90.7		-
7lks	1.70 Å	2021-02-17	X-ray	PG4, Y4P, Y7G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.35%	22.11%	7.90%	(1R,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; (1R,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-(((((1R,2S,4S)-bicyclo[2.2.1]heptan-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	98.40%	11.4	APS (17-ID)	PHENIX	2021-02-02	34213885	-	-	-	-	N/A	-	-	3C-like proteinase	77.0	-		No	-		64.0	75.8	93.6		-
7lkt	1.50 Å	2021-02-17	X-ray	PG4, FLC, Y4V, Y7M	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.79%	20.48%	6.30%	CITRATE ANION; (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; CITRATE ANION; (1R,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-(((adamantan-1-ylmethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	99.90%	10.5	APS (17-ID)	PHENIX	2021-02-02	34213885	-	-	-	-	N/A	-	-	3C-like proteinase	73.2	-		No	-		78.3	61.5	83.7		-
7lku	1.65 Å	2021-02-17	X-ray	Y91, Y8Y, Y5S, Y4D	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.75%	21.07%	5.40%	(1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	(1S,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3r,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3s,5S)-bicyclo[3.3.1]nonan-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	99.90%	9.8	APS (17-ID)	PHENIX	2021-02-02	34213885	-	-	-	-	N/A	-	-	3C-like proteinase	81.8	-		No	-		73.5	86.0	89.9		-
7lkv	1.55 Å	2021-02-17	X-ray	Y64, Y4J	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.64%	20.84%	7.20%	(1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	(1S,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3R,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	99.40%	8.9	NSLS-II (17-ID-1)	PHENIX	2021-02-02	34213885	-	-	-	-	N/A	-	-	3C-like proteinase	75.6	-		No	-		75.4	59.3	94.7		-
7lkw	1.70 Å	2021-02-17	X-ray	PO4, Y8V, Y8S	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.60%	22.70%	3.90%	PHOSPHATE ION; (1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	PHOSPHATE ION; (1S,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1R,3S,5S)-bicyclo[3.3.1]non-6-en-3-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	99.50%	15.0	APS (17-ID)	PHENIX	2021-02-02	34213885	-	-	-	-	N/A	-	-	3C-like proteinase	75.1	-		No	-		58.0	83.2	87.1		-
7lkx	1.60 Å	2021-02-17	X-ray	PG4, Y71, Y51	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.40%	21.23%	7.10%	(1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; (1S,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-(((((1S,2S,4S)-bicyclo[2.2.1]hept-5-en-2-yl)methoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	97.90%	9.1	APS (17-ID)	PHENIX	2021-02-02	34213885	-	-	-	-	N/A	-	-	3C-like proteinase	66.3	-		No	-		72.1	47.8	87.7		-
6lz6	2.65 Å	2021-02-24	X-ray	EY6	MERS-CoV	Nucleocapsid	Functional ligand	21.04%	25.80%	8.80%	5-(2-fluoranylethoxy)-1H-indole	5-(2-fluoranylethoxy)-1H-indole	HKL-2000	98.70%	9.4	NSRRC (TPS 05A)	PHENIX	2020-02-18	35517857	-	-	-	-	N/A	-	-	Nucleoprotein	30.9	-		No	-		28.1	76.6	33.1		-
6lz8	2.59 Å	2021-02-24	X-ray	EY9	MERS-CoV	Nucleocapsid	Functional ligand	23.69%	28.69%	9.50%	5-(2-methoxyethoxy)-1H-indole	5-(2-methoxyethoxy)-1H-indole	HKL-2000	97.80%	7.9	NSRRC (TPS 05A)	PHENIX	2020-02-18	35517857	-	-	-	-	N/A	-	-	Nucleoprotein	7.6	-		No	-		11.2	41.6	27.5		-
7cac	3.55 Å	2021-02-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-06-08	32703908	-	-	-	-	N/A	-	-	Heavy chain of H014 Fab; Light chain of H014 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7l7f	3.24 Å	2021-02-24	Cryo-EM	-	HIV-1/SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2020-12-28	33524990	-	-	-	-	N/A	-	-	Spike glycoprotein, Envelope glycoprotein fusion; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7l7k	3.29 Å	2021-02-24	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-12-28	33524990	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lbn	1.76 Å	2021-02-24	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.98%	18.55%	3.80%	Calpain I Inhibitor	-	HKL-2000	97.00%	38.4	CHESS (A1)	REFMAC	2021-01-08	35217718	-	-	-	-	N/A	-	-	Calpain I Inhibitor; 3C-like proteinase	70.6	-		No	-		90.0	29.2	97.7		-
7lbr	2.20 Å	2021-02-24	X-ray	XT7	SARS-CoV-2	NSP3: PLpro	Functional ligand	19.59%	24.06%	13.10%	5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide	5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1S,3R)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide	Aimless	98.50%	6.5	APS (21-ID-D)	REFMAC	2021-01-08	33594371	ZN	-	-	-	N/A	-	-	Non-structural protein 3 - residues 1564-1878	44.2	-		No	-		44.3	33.3	86.4		-
7lbs	2.80 Å	2021-02-24	X-ray	BO3, XR8	SARS-CoV-2	NSP3: PLpro	Functional ligand	20.16%	26.01%	20.00%	BORIC ACID; 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide	BORIC ACID; 5-[(azetidin-3-yl)amino]-2-methyl-N-[(1R)-1-(3-{5-[(pyrrolidin-1-yl)methyl]thiophen-2-yl}phenyl)ethyl]benzamide	XDS	79.60%	6.8	APS (21-ID-F)	REFMAC	2021-01-08	33594371	ZN	-	-	-	N/A	-	-	Non-structural protein 3 - residues 1564-1878	25.5	-		No	-		26.4	67.5	32.6		-
7llf	2.30 Å	2021-02-24	X-ray	Y54, BO3	SARS-CoV-2	NSP3: PLpro	Functional ligand	21.74%	25.98%	16.40%	5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide; BORIC ACID	5-[(azetidin-3-yl)amino]-N-[(1R)-1-{3-[5-({[(1R,3S)-3-hydroxycyclopentyl]amino}methyl)thiophen-2-yl]phenyl}ethyl]-2-methylbenzamide; BORIC ACID	Aimless	95.10%	5.0	APS (21-ID-D)	REFMAC	2021-02-03	33594371	ZN	-	-	-	N/A	-	-	Non-structural protein 3	39.1	-		No	-		26.8	63.3	64.0		-
7llz	2.90 Å	2021-02-24	X-ray	Y61	SARS-CoV-2	NSP3: PLpro	Functional ligand	19.59%	24.27%	17.90%	N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide	N-[(1R)-1-(3-{5-[(acetylamino)methyl]thiophen-2-yl}phenyl)ethyl]-5-[(azetidin-3-yl)amino]-2-methylbenzamide	xia2	99.90%	8.1	APS, APS (21-ID-D, 21-ID-G)	REFMAC	2021-02-04	33594371	ZN	-	-	-	N/A	-	-	Non-structural protein 3	65.1	-		No	-		42.4	79.3	83.4		-
7los	2.90 Å	2021-02-24	X-ray	Y97	SARS-CoV-2	NSP3: PLpro	Functional ligand	20.94%	29.29%	N/A	5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide	5-(azetidin-3-ylamino)-2-methyl-~{N}-[(1~{R})-1-[3-[5-[[[(3~{R})-oxolan-3-yl]amino]methyl]thiophen-2-yl]phenyl]ethyl]benzamide	XDS	98.10%	4.7	APS (21-ID-D)	REFMAC	2021-02-10	33594371	ZN	-	-	-	N/A	-	-	Non-structural protein 3	15.8	-		No	-		9.1	53.5	41.9		-
7nfv	1.42 Å	2021-02-24	X-ray	PO4	SARS-CoV-2	NSP3: PLpro	No functional ligands	15.38%	17.14%	N/A	PHOSPHATE ION	PHOSPHATE ION	XDS	100.00%	28.3	PETRA III, DESY (P11)	REFMAC	2021-02-07	35953531	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase	70.1	-		No	-		94.8	46.8	74.3		-
7aqe	1.39 Å	2021-03-03	X-ray	RV5	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.66%	22.31%	N/A		N-1,2,3-Benzothiadiazol-6-yl-N'-[2-oxo-2-(1-piperidinyl)ethyl]urea also called unc-2327	DIALS	98.93%	8.11	PETRA III, DESY (P11)	REFMAC; PHENIX	2020-10-21	33811162	-	-	-	-	N/A	-	-	Structure of SARS-CoV-2 Main Protease bound to UNC-2327	51.6	-		No	-		62.0	37.5	78.7		-
7bb2	1.60 Å	2021-03-03	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.42%	18.86%	9.60%	SODIUM ION	SODIUM ION	XDS	100.00%	15.2	ELETTRA (11.2C)	PHENIX; PHENIX	2020-12-16	34769210	-	-	-	-	N/A	-	-	Main Protease	78.9	-		No	-		88.5	64.1	86.4		-
7be7	1.68 Å	2021-03-03	X-ray	NA, ALD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.66%	20.13%	9.80%	SODIUM ION; N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	SODIUM ION; N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	XDS	99.90%	11.9	ELETTRA (11.2C)	PHENIX; PHENIX	2020-12-22	34769210	-	-	-	-	N/A	-	-	Main Protease	68.9	-		No	-		80.8	53.9	78.6		-
7beh	2.30 Å	2021-03-03	X-ray	TRS	SARS-CoV-2	Spike	Functional ligand	21.32%	22.96%	10.70%	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	xia2	85.70%	14.2	Diamond (I03)	PHENIX	2020-12-23	33756110	-	-	-	-	N/A	-	-	COVOX-316 light chain; COVOX-316 heavy chain; Spike glycoprotein	48.6	-		No	-		55.5	40.9	76.1		-
7bei	2.30 Å	2021-03-03	X-ray	NO3	SARS-CoV-2	Spike	Protein-protein complex	18.37%	23.19%	19.20%	NITRATE ION	NITRATE ION	xia2	84.40%	12.5	Diamond (I03)	PHENIX	2020-12-23	33756110	-	-	-	-	N/A	-	-	Spike glycoprotein; COVOX-150 light chain; COVOX-150 heavy chain	54.4	-		No	-		53.3	62.9	67.3		-
7bej	2.42 Å	2021-03-03	X-ray	FMT	SARS-CoV-2	Spike	Protein-protein complex	18.96%	23.14%	25.00%	FORMIC ACID	FORMIC ACID	xia2	98.50%	7.6	Diamond (I03)	PHENIX	2020-12-23	33756110	-	-	-	-	N/A	-	-	Spike glycoprotein; COVOX-158 light chain; COVOX-158 heavy chain	64.8	-		No	-		53.6	74.1	76.8		-
7bek	2.04 Å	2021-03-03	X-ray	TRS	SARS-CoV-2	Spike	Functional ligand	19.97%	21.95%	11.80%	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	xia2	99.90%	13.1	Diamond (I03)	PHENIX	2020-12-23	33756110	-	-	-	-	N/A	-	-	Spike glycoprotein; COVOX-158 light chain; COVOX-158 heavy chain	49.8	-		No	-		65.6	24.2	84.8		-
7bel	2.53 Å	2021-03-03	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	24.94%	28.56%	18.90%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	97.80%	5.6	Diamond (I03)	PHENIX	2020-12-23	33756110	-	-	-	-	N/A	-	-	COVOX-45 light chain; COVOX-88 light chain; COVOX-88 heavy chain; COVOX-45 heavy chain; Spike glycoprotein	11.9	-		No	-		11.7	23.5	59.0		-
7bem	2.52 Å	2021-03-03	X-ray	PRO, PO4	SARS-CoV-2	Spike	Protein-protein complex	21.69%	24.69%	43.20%	PROLINE; PHOSPHATE ION	PROLINE; PHOSPHATE ION	xia2	99.90%	9.2	Diamond (I03)	PHENIX	2020-12-24	33756110	-	-	-	-	N/A	-	-	Spike glycoprotein; COVOX-269 Vl domain; COVOX-269 Vh domain	29.1	-		No	-		38.4	24.2	71.4		-
7ben	2.50 Å	2021-03-03	X-ray	BR, IMD, IOD, PG6	SARS-CoV-2	Spike	Protein-protein complex	24.04%	28.22%	28.30%	BROMIDE ION; IMIDAZOLE; IODIDE ION; 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE	BROMIDE ION; IMIDAZOLE; IODIDE ION; 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE	xia2	100.00%	7.3	Diamond (I03)	PHENIX	2020-12-24	33756110	-	-	-	-	N/A	-	-	COVOX-75 light chain; COVOX-75 heavy chain; COVOX-253 light chain; COVOX-253 heavy chain; Spike glycoprotein	23.6	-		No	-		13.0	43.6	65.8		-
7beo	3.19 Å	2021-03-03	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	23.41%	27.35%	41.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	4.0	Diamond (I03)	PHENIX	2020-12-24	33756110	-	-	-	-	N/A	-	-	COVOX-75 light chain; COVOX-75 heavy chain; COVOX-253H55L light chain; COVOX-253H55L heavy chain; Spike glycoprotein	21.4	-		No	-		17.5	25.0	75.2		-
7bep	2.61 Å	2021-03-03	X-ray	GLU, IMD, PG4, PGE	SARS-CoV-2	Spike	Protein-protein complex	20.25%	24.08%	11.20%	GLUTAMIC ACID; IMIDAZOLE; alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose; TRIETHYLENE GLYCOL	GLUTAMIC ACID; IMIDAZOLE; TETRAETHYLENE GLYCOL; TRIETHYLENE GLYCOL	xia2	100.00%	13.3	Diamond (I03)	PHENIX	2020-12-24	33756110	-	-	-	-	N/A	-	-	S309 light chain; S309 heavy chain; COVOX-384 light chain; COVOX-384 heavy chain; Spike glycoprotein	43.4	-		No	-		44.2	50.9	67.4		-
7bfb	2.05 Å	2021-03-03	X-ray	NA, 9JT	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.38%	19.91%	8.60%	SODIUM ION; ~{N}-phenyl-2-selanyl-benzamide	SODIUM ION; ~{N}-phenyl-2-selanyl-benzamide	XDS	99.80%	12.3	ELETTRA (11.2C)	PHENIX; PHENIX	2021-01-02	-	-	-	-	-	N/A	-	-	Main Protease	70.6	-		No	-	-	82.3	50.2	84.6		-
7bgp	1.68 Å	2021-03-03	X-ray	NA, ALD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.04%	20.10%	9.20%	SODIUM ION; N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	SODIUM ION; N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	XDS	99.80%	12.5	ELETTRA (11.2C)	PHENIX; PHENIX	2021-01-08	34769210	-	-	-	-	N/A	-	-	Main Protease	63.0	-		No	-		81.0	41.0	78.8		-
7ci3	2.20 Å	2021-03-03	X-ray	-	SARS-CoV-2	ORF7a	No functional ligands	22.95%	25.98%	10.30%		-	HKL-3000	99.70%	4.7	SSRF (BL18U1)	PHENIX	2020-07-07	33615195	-	-	-	-	N/A	-	-	Orf7a protein	35.6	-		No	-		26.8	56.6	63.8		-
7cn4	2.93 Å	2021-03-03	Cryo-EM	NAG	Bat-CoV-RaTG13	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-07-30	33707453	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7cn8	2.50 Å	2021-03-03	Cryo-EM	EIC, NAG	Pangolin CoV	Spike	Functional ligand	N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-07-30	33707453	-	-	-	-	N/A	-	-	Glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jst	1.85 Å	2021-03-03	X-ray	PO4	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.80%	19.61%	N/A	PHOSPHATE ION	PHOSPHATE ION	XDS	98.90%	13.4	APS (24-ID-C)	PHENIX	2020-08-16	33795671	-	-	-	-	N/A	-	-	3C-like proteinase	83.2	-		No	-		84.2	88.6	82.6		-
7l10	1.63 Å	2021-03-03	X-ray	XEY	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.43%	25.07%	N/A	2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile	2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile	XDS	96.60%	7.16	NSLS-II (17-ID-1)	PHENIX	2020-12-13	33786375	-	-	-	-	N/A	-	-	3C-like proteinase	19.8	-		No	-		34.6	22.8	56.5		-
7l11	1.80 Å	2021-03-03	X-ray	XF1	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.51%	23.16%	9.20%	2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile	2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile	XDS	99.20%	16.17	APS (24-ID-E)	PHENIX	2020-12-14	33786375	-	-	-	-	N/A	-	-	3C-like proteinase	59.7	-		No	-		53.5	71.3	69.1		-
7l12	1.80 Å	2021-03-03	X-ray	XF4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.11%	24.91%	N/A	(5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione	(5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione	XDS	95.20%	8.27	APS (24-ID-E)	PHENIX	2020-12-14	33786375	-	-	-	-	N/A	-	-	3C-like proteinase	44.8	-		No	-		36.0	56.0	73.2		-
7l13	2.17 Å	2021-03-03	X-ray	XF7	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.67%	24.76%	N/A	(5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione	(5S)-5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]phenyl}-2-oxo[2H-[1,3'-bipyridine]]-5-yl)pyrimidine-2,4(3H,5H)-dione	XDS	99.60%	16.59	NSLS-II (17-ID-1)	PHENIX	2020-12-14	33786375	-	-	-	-	N/A	-	-	3C-like proteinase	23.3	-		No	-		37.6	37.2	47.1		-
7l14	1.80 Å	2021-03-03	X-ray	XFD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.57%	20.44%	N/A	2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile	2-{3-[3-chloro-5-(cyclopropylmethoxy)phenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}benzonitrile	XDS	95.00%	14.94	NSLS-II (17-ID-1)	PHENIX	2020-12-14	33786375	-	-	-	-	N/A	-	-	3C-like proteinase	71.0	-		No	-		78.6	52.3	86.9		-
7lop	2.25 Å	2021-03-03	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	21.97%	26.80%	14.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.90%	4.3	APS (23-ID-B)	PHENIX	2021-02-10	34016740	-	-	-	-	N/A	-	-	CV05-163 Fab light chain; CV05-163 Fab heavy chain; Spike protein S1; CR3022 Fab light chain; CR3022 Fab heavy chain	18.4	-		No	-		20.8	26.7	63.5		-
7ltj	1.80 Å	2021-03-03	X-ray	YD1	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.16%	19.24%	4.20%	6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione	6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione	CrysalisPro	96.80%	26.88	ROTATING ANODE ()	PHENIX	2021-02-19	34793155	-	-	-	-	N/A	-	-	3C-like proteinase	61.8	-		No	-		86.5	37.5	74.2		-
7nbr	2.40 Å	2021-03-03	X-ray	U5G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.01%	26.94%	9.30%	boceprevir (bound form)	boceprevir (bound form)		99.90%	15.6	PETRA III, DESY (P11)	REFMAC	2021-01-27	-	-	-	-	-	N/A	-	-	Main Protease	46.1	-		No	-	-	19.9	95.7	52.0		-
7nbs	1.70 Å	2021-03-03	X-ray	SV6	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.61%	25.60%	7.30%	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide	(1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide		100.00%	15.6	PETRA III, DESY (P11)	REFMAC	2021-01-27	-	-	-	-	-	N/A	-	-	Main Protease	29.6	-		No	-	-	29.8	48.7	56.5		-
7nby	1.93 Å	2021-03-03	X-ray	NA, NO3, U88	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.44%	19.82%	10.70%	SODIUM ION; NITRATE ION; 5-nitro-1,3-thiazole	SODIUM ION; NITRATE ION; 5-nitro-1,3-thiazole	XDS	99.80%	11.0	ELETTRA (11.2C)	PHENIX; PHENIX	2021-01-28	-	-	-	-	-	N/A	-	-	Main Protease	73.8	-		No	-	-	82.9	49.8	92.3		-
7nd3	3.70 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-40 light chain; COVOX-40 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7nd4	3.60 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-88 Fab light chain; COVOX-88 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7nd5	3.40 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-150 Fab light chain; COVOX-150 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7nd6	7.30 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-158 Fab light chain; COVOX-158 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7nd7	3.60 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-316 Fab light chain; COVOX-316 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7nd8	3.50 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-384 Fab light chain; COVOX-384 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7nd9	2.80 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-253H55L Fab light chain; COVOX-253H55L Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7nda	3.30 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-253H55L Fab light chain; COVOX-253H55L Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ndb	4.60 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-253H165L Fab light chain; COVOX-253H165L Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ndc	4.10 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-159 Fab light chain; COVOX-159 heavy Fab chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ndd	4.20 Å	2021-03-03	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-30	33756110	-	-	-	-	N/A	-	-	COVOX-159 Fab light chain; COVOX-159 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7neg	2.19 Å	2021-03-03	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	19.45%	22.28%	17.70%		-	xia2	99.90%	8.4	Diamond (I03)	PHENIX	2021-02-04	33743891	-	-	-	-	N/A	-	-	Surface glycoprotein; Antibody COVOX-269 Fab light chain; Antibody COVOX-269 Fab heavy chain	52.3	-		No	-		62.5	41.5	75.5		-
7neh	1.77 Å	2021-03-03	X-ray	NO3	SARS-CoV-2	Spike	Protein-protein complex	18.82%	19.82%	9.10%	NITRATE ION	NITRATE ION	xia2	100.00%	14.0	Diamond (I03)	PHENIX	2021-02-04	33743891	-	-	-	-	N/A	-	-	Spike glycoprotein; COVOX-269 fab light chain; COVOX-269 Fab heavy chain	57.4	-		No	-		82.9	37.4	69.1		-
7nev	1.70 Å	2021-03-03	X-ray	IMD	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	18.32%	23.36%	6.70%	IMIDAZOLE; LEUPEPTIN	IMIDAZOLE	DIALS; XDS	97.70%	10.2	PETRA III, DESY (P11)	PHENIX	2021-02-05	33811162	-	-	-	-	N/A	-	-	LEUPEPTIN; Main Protease	69.5	-		No	-		51.5	73.6	89.4		-
5rob	1.87 Å	2021-03-10	X-ray	PO4	SARS-CoV-2	NSP13	PanDDA fragment screening	21.87%	25.38%	N/A	PHOSPHATE ION	PHOSPHATE ION	XDS	96.00%	8.2	Diamond (I04-1)	REFMAC	2020-09-22	-	ZN	-	-	-	N/A	-	-	Helicase	24.1	-		No	-	-	31.9	38.7	52.9		-
7czp	3.00 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IG c181_light_IGLV2-14_IGLJ3,IGL@ protein; Immunoglobulin heavy variable 4-59,Chain H of P2B-1A1,Anti-RhD monoclonal T125 gamma1 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czq	2.80 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	Immunoglobulin kappa variable 1-33,Uncharacterized protein; IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,Chain H of P2B-1A10,Immunoglobulin gamma-1 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czr	3.50 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IGL c4203_light_IGKV1-9_IGKJ4,IGL c4203_light_IGKV1-9_IGKJ4,Uncharacterized protein; IG c542_heavy_IGHV3-53_IGHD3-10_IGHJ6,IGH@ protein; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czs	3.60 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IGL c4203_light_IGKV1-9_IGKJ4,Uncharacterized protein; IG c542_heavy_IGHV3-53_IGHD3-10_IGHJ6,IGH@ protein; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czt	2.70 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IG c689_light_IGLV5-37_IGLJ3,IGL@ protein; Immunoglobulin heavy variable 3-33,chainH of P5A-2G9,Immunoglobulin gamma-1 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czu	3.40 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	Immunoglobulin kappa variable 1-33,Immunoglobulin kappa variable 1-33,Uncharacterized protein; Immunoglobulin heavy variable 3-30-3,Immunoglobulin heavy variable 3-30-3,Chain H of P5A-1B6_2B,Immunoglobulin gamma-1 heavy chain,Immunoglobulin gamma-1 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czv	3.30 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	Immunoglobulin kappa variable 1-33,Uncharacterized protein; Immunoglobulin heavy variable 3-30-3,chain H of P5A-1B6_3B,Immunoglobulin gamma-1 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czw	2.80 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein; Immunoglobulin heavy variable 4-61,chain H of P5A-2G7,Epididymis luminal protein 214; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czx	2.80 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IG c168_light_IGKV4-1_IGKJ4,Uncharacterized protein; Immunoglobulin heavy variable 4-59,chain H of P5A-1B9,IGH@ protein; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czy	3.30 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IG c168_light_IGKV4-1_IGKJ4,Immunoglobulin kappa constant; Immunoglobulin heavy variable 1-8,Immunoglobulin heavy variable 1-8,chain H of P5A-2F11_2B,Epididymis luminal protein 214,Epididymis luminal protein 214; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7czz	3.20 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IG c168_light_IGKV4-1_IGKJ4,Immunoglobulin kappa constant; Immunoglobulin heavy variable 1-8,Immunoglobulin heavy variable 1-8,chain H of P5A-2F11_3B,Epididymis luminal protein 214,Epididymis luminal protein 214; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7d00	3.00 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IGL c4203_light_IGKV1-9_IGKJ4,Uncharacterized protein; IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,chain H of FabP5A-1B8,IGH@ protein; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7d03	3.20 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein; Immunoglobulin heavy variable 4-61,chain H of FabP5A-2G7,Epididymis luminal protein 214; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7d0b	3.90 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	Light chain of P5A-3C12; Heavy chain of P5A-3C12; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7d0c	3.40 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	Light chain of P5A-3A1; Heavy chain of P5A-3A1; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7d0d	3.80 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-09	33731853	-	-	-	-	N/A	-	-	Light chain of P5A-3C12; Heavy chain of P5A-3C12; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jsu	1.83 Å	2021-03-10	X-ray	PO4, UED	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.93%	20.28%	N/A	PHOSPHATE ION; N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	PHOSPHATE ION; N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	99.00%	12.7	APS (24-ID-C)	PHENIX	2020-08-16	33795671	-	-	-	-	N/A	-	-	3C-like proteinase	64.5	-		No	-		79.8	52.0	72.0		-
7jt0	1.73 Å	2021-03-10	X-ray	PO4, LW1	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.66%	19.17%	4.00%	PHOSPHATE ION; thiophene-2-carbaldehyde	PHOSPHATE ION; thiophene-2-carbaldehyde	XDS	99.20%	23.5	APS (24-ID-E)	PHENIX	2020-08-16	33795671	-	-	-	-	N/A	-	-	3C-like proteinase	70.2	-		No	-		86.9	42.1	87.2		-
7jw8	1.84 Å	2021-03-10	X-ray	BTB, TG3	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.31%	22.72%	11.00%	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate	XDS	97.60%	5.7	APS (24-ID-C)	PHENIX	2020-08-25	33795671	-	-	-	-	N/A	-	-	3C-like proteinase	69.4	-		No	-		57.9	86.1	70.3		-
7lab	2.97 Å	2021-03-10	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-06	34242577	-	-	-	-	N/A	-	-	Spike glycoprotein; DH1052 heavy chain - Receptor Binding Domain; DH1052 light chain - Receptor Binding Domain	N/A	-		No	-		N/A	N/A	N/A		-
6yxj	3.50 Å	2021-03-17	X-ray	-	SARS-CoV	NSP3	Protein-protein complex	31.27%	33.55%	9.50%		-	XDS	99.30%	10.8	BESSY, BESSY (14.2, 14.2)	BUSTER	2020-05-02	33876849	-	-	-	-	N/A	-	-	Polyadenylate-binding protein-interacting protein 1; Non-structural protein 3	24.0	-		No	-		4.2	89.9	29.3		-
7e35	2.40 Å	2021-03-17	X-ray	GYX	SARS-CoV-2	NSP3: PLpro	Functional ligand	28.14%	31.71%	17.20%	N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide	N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide	XDS	92.20%	19.1	SSRF (BL17U1)	PHENIX; PHENIX	2021-02-08	33979649	ZN	-	-	-	N/A	-	-	Non-structural protein 3 - papain-like protease (PLPro)	1.1	-		No	-		5.2	13.5	27.5		-
7eam	1.40 Å	2021-03-17	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	17.20%	18.17%	6.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	Aimless	94.70%	8.8	SSRF (BL17U1)	PHENIX	2021-03-07	-	-	-	-	-	N/A	-	-	the light chain of Fab fragment of antibody 7D6; the heavy chain of Fab fragment of antibody 7D6; Spike protein S1 - UNP residues 319-541	71.0	-		No	-	-	91.9	59.2	66.8		-
7jt7	1.94 Å	2021-03-17	X-ray	TG3	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.42%	22.54%	N/A	ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate	ethyl (4R)-4-[[(2S)-4-methyl-2-[[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-2-(phenylmethoxycarbonylamino)butanoyl]amino]pentanoyl]amino]-5-[(3S)-2-oxidanylidenepyrrolidin-3-yl]pentanoate	XDS	99.80%	10.2	APS (24-ID-C)	PHENIX	2020-08-17	33795671	-	-	-	-	N/A	-	-	3C-like proteinase	28.0	-		No	-		59.8	14.1	57.9		-
7laa	3.42 Å	2021-03-17	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-06	34242577	-	-	-	-	N/A	-	-	DH1041 light chain - Receptor Binding Domain; DH1041 heavy chain - Receptor Binding Domain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ls9	3.42 Å	2021-03-17	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-02-17	34111408	-	-	-	-	N/A	-	-	1-57 Fab light chain; 1-57 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lss	3.72 Å	2021-03-17	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-02-18	34111408	-	-	-	-	N/A	-	-	Fab 2-7 variable heavy chain; Fab 2-7 variable light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lyh	1.90 Å	2021-03-17	X-ray	YHJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.99%	22.19%	11.30%	benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate	benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate	Aimless	96.20%	8.7	APS (19-ID)	REFMAC	2021-03-07	34414360	-	-	-	-	N/A	-	-	3C-like proteinase	70.5	-		No	-		63.4	83.5	69.9		-
7lyi	1.90 Å	2021-03-17	X-ray	YHI, NA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.03%	21.73%	6.90%	benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate; SODIUM ION	benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate; SODIUM ION	Aimless	93.00%	6.5	APS (19-ID)	REFMAC	2021-03-07	34414360	-	-	-	-	N/A	-	-	3C-like proteinase	69.6	-		No	-		67.7	68.7	78.3		-
7nio	2.20 Å	2021-03-17	X-ray	-	SARS-CoV-2	NSP13	No functional ligands	22.96%	28.65%	N/A		-	XDS	90.30%	4.4	Diamond (I04-1)	PHENIX	2021-02-12	34381037	ZN	-	-	-	N/A	-	-	SARS-CoV-2 helicase NSP13	14.8	-		No	-		11.3	50.0	40.8		-
6w81	1.55 Å	2021-03-24	X-ray	MLA, X77	PEDV	NSP5 (3CLpro)	Functional ligand	17.58%	21.36%	N/A	MALONIC ACID; N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide	MALONIC ACID; N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide	HKL-2000	97.80%	28.9	APS (21-ID-G)	PHENIX	2020-03-20	-	-	-	-	-	N/A	-	-	Peptidase C30	28.7	-		No	-	-	71.0	28.2	34.0		-
7cr5	2.08 Å	2021-03-24	X-ray	-	SARS-CoV-2	Nucleocapsid	Pathogen-host interaction	19.08%	22.20%	22.00%		-	HKL-3000	99.90%	13.18	SSRF (BL18U1)	PHENIX; PHENIX	2020-08-12	33976229	ZN	-	-	-	N/A	-	-	monoclonal antibody chain L; monoclonal antibody chain H; Nucleoprotein	53.5	-		No	-		63.1	43.6	75.1		-
7dcd	2.57 Å	2021-03-24	X-ray	-	SARS-CoV-2	NSP7/NSP8	Protein-protein complex	25.39%	35.33%	20.00%		-		93.15%	8.5	SSRF (BL18U1)	PHENIX	2020-10-24	33594727	-	-	-	-	N/A	-	-	Non-structural protein 8; Non-structural protein 7	1.3	-		No	-		3.8	31.9	12.5		-
7e7b	2.60 Å	2021-03-24	Cryo-EM	VCG, ELA, NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside; 9-OCTADECENOIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside; 9-OCTADECENOIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-02-25	33692215	-	-	-	-	N/A	-	-	Spike glycoprotein,Collagen alpha-1(I) chain	N/A	-		No	-		N/A	N/A	N/A		-
7e7d	3.20 Å	2021-03-24	Cryo-EM	ELA, NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	9-OCTADECENOIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	9-OCTADECENOIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-02-25	33692215	-	-	-	-	N/A	-	-	Spike glycoprotein,Collagen alpha-1(I) chain	N/A	-		No	-		N/A	N/A	N/A		-
7krr	3.50 Å	2021-03-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	43.51%	43.66%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-20	33727252	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7krs	3.20 Å	2021-03-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	47.23%	47.92%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-20	33727252	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7l2d	3.55 Å	2021-03-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-12-16	33789084	-	-	-	-	N/A	-	-	1-87 light chain; 1-87 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7l2e	2.97 Å	2021-03-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-12-16	33789084	-	-	-	-	N/A	-	-	4-18 light chain; 4-18 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7l2f	3.90 Å	2021-03-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-12-16	33789084	-	-	-	-	N/A	-	-	5-24 light chain; 5-24 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lqv	3.25 Å	2021-03-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-02-15	-	-	-	-	-	N/A	-	-	4-8 Light chain; 4-8 Heavy Chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7lqw	4.47 Å	2021-03-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-02-15	33789084	-	-	-	-	N/A	-	-	Spike glycoprotein; 2-17 Light Chain; 2-17 Heavy Chain	N/A	-		No	-		N/A	N/A	N/A		-
7lzt	1.55 Å	2021-03-24	X-ray	YN1, YMY	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.79%	19.66%	9.30%	(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)methoxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	100.00%	10.5	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	84.4	-		No	-		84.0	88.4	89.8		-
7lzu	1.60 Å	2021-03-24	X-ray	PG4, YKP, YKM	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.78%	20.11%	5.40%	(1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; (1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)ethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	97.80%	12.5	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	73.5	-		No	-		80.9	55.0	88.0		-
7lzv	1.60 Å	2021-03-24	X-ray	PG4, YLS, YLM	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.46%	21.19%	4.10%	(1S,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; (1S,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	98.90%	14.7	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	66.2	-		No	-		72.6	47.8	87.0		-
7lzw	2.20 Å	2021-03-24	X-ray	YLS, YLM	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.35%	25.76%	10.10%	(1R,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	(1S,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-((((4-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	99.70%	7.9	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	68.1	-		No	-		28.6	95.0	87.8		-
7lzx	1.65 Å	2021-03-24	X-ray	PG4, YMD, YMG	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.48%	21.39%	5.30%	(1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; (1R,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-((((4,4-dimethylcyclohexyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	99.20%	10.7	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	69.0	-		No	-		70.8	53.5	89.2		-
7lzy	1.85 Å	2021-03-24	X-ray	YMM, YMJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.57%	22.29%	8.50%	(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1s,4S)-4-propylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	100.00%	11.4	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	80.7	-		No	-		62.4	93.3	89.6		-
7lzz	2.00 Å	2021-03-24	X-ray	YMV, YMS	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.23%	22.90%	9.80%	(1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-(((((1r,4S)-4-phenylcyclohexyl)oxy)carbonyl)amino)pentanamido)-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	99.90%	7.5	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	79.1	-		No	-		55.9	95.7	88.3		-
7m00	2.00 Å	2021-03-24	X-ray	YKD, YKA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.13%	26.54%	9.40%	(1R,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid	(1S,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-((((2-(4,4-difluorocyclohexyl)propan-2-yl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid	XDS	100.00%	8.9	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	60.8	-		No	-		22.7	95.7	77.8		-
7m01	1.65 Å	2021-03-24	X-ray	YKS, YKV	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.80%	22.39%	13.90%	(1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	(1R,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-((((S)-1-(4,4-difluorocyclohexyl)-2-phenylethoxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	100.00%	8.7	NSLS-II (17-ID-1)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	67.5	-		No	-		61.4	63.5	85.3		-
7m02	1.80 Å	2021-03-24	X-ray	PG4, YKY, YL7	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.10%	24.07%	8.00%	(1R,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; (1R,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid; (1S,2S)-2-((S)-2-((((2-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl)propane-1-sulfonic acid	XDS	99.70%	10.3	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	71.0	-		No	-		44.3	83.2	90.5		-
7m03	2.00 Å	2021-03-24	X-ray	YLJ, YLD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.30%	24.88%	6.40%	(1R,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	(1S,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid; (1R,2S)-2-((S)-2-((((3-fluorobenzyl)oxy)carbonyl)amino)-4-methylpentanamido)-1-hydroxy-3-((S)-2-oxopyrrolidin-3-yl)propane-1-sulfonic acid	XDS	97.40%	10.3	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	63.9	-		No	-		36.5	88.4	77.6		-
7m04	1.75 Å	2021-03-24	X-ray	PG4, YM1, YLV	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.99%	22.28%	5.70%	(1S,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; (1S,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-((S)-4-methyl-2-((((perfluorophenyl)methoxy)carbonyl)amino)pentanamido)-3-((R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl)propane-1-sulfonic acid	XDS	99.70%	12.2	APS (17-ID)	PHENIX	2021-03-10	34865476	-	-	-	-	N/A	-	-	3C-like proteinase	74.0	-		No	-		62.5	83.2	79.6		-
7m1y	2.02 Å	2021-03-24	X-ray	NA, FMT, IOD, 9JT	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.41%	21.29%	15.00%	SODIUM ION; FORMIC ACID; IODIDE ION; ~{N}-phenyl-2-selanyl-benzamide	SODIUM ION; FORMIC ACID; IODIDE ION; ~{N}-phenyl-2-selanyl-benzamide	HKL-3000	100.00%	5.0	APS (19-ID)	REFMAC	2021-03-15	-	NA; ZN	-	-	-	N/A	-	-	Papain-like protease	74.6	-		No	-	-	71.7	81.6	73.6		-
7nn0	3.04 Å	2021-03-24	X-ray	ANP	SARS-CoV-2	NSP13	No functional ligands	24.38%	28.38%	25.80%	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER	DIALS	97.70%	6.1	Diamond (I04-1)	PHENIX	2021-02-23	34381037	MG; ZN	-	-	-	N/A	-	-	SARS-CoV-2 helicase NSP13	26.7	-		No	-		12.5	76.0	40.5		-
7deo	2.50 Å	2021-03-31	X-ray	NAG, CA	SARS-CoV-2	Spike	Pathogen-host interaction	18.72%	23.21%	12.80%	2-acetamido-2-deoxy-beta-D-glucopyranose; CALCIUM ION	2-acetamido-2-deoxy-beta-D-glucopyranose; CALCIUM ION	MOSFLM	99.40%	7.2	SwissFEL ARAMIS (ESA)	PHENIX	2020-11-04	33961621	CA	-	-	-	N/A	-	-	Spike protein S1 - RBD; antibody scFv	65.6	-		No	-		52.9	82.9	70.4		-
7det	2.20 Å	2021-03-31	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	21.20%	25.99%	11.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.10%	18.6	SSRF (BL17U)	PHENIX	2020-11-05	33961621	-	-	-	-	N/A	-	-	antibody scFv; Spike protein S1 - RBD	30.7	-		No	-		26.8	53.3	57.4		-
7deu	2.10 Å	2021-03-31	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	20.86%	22.94%	9.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	MOSFLM	100.00%	23.8	SwissFEL ARAMIS (ESA)	PHENIX	2020-11-05	33961621	-	-	-	-	N/A	-	-	antibody scFv; Spike protein S1 - RBD	40.2	-		No	-		55.6	32.6	67.9		-
7dwx	8.30 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	LEUCINE; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2; Sodium-dependent neutral amino acid transporter B(0)AT1	N/A	-		No	-		N/A	N/A	N/A		-
7dwy	2.70 Å	2021-03-31	Cryo-EM	EIC, NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dwz	3.30 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dx0	3.20 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dx1	3.10 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dx2	3.30 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dx3	3.50 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dx5	3.30 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dx6	3.00 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dx7	3.40 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dx8	2.90 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dx9	3.60 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-01-18	33737693	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ean	1.91 Å	2021-03-31	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.11%	22.39%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.80%	13.7	SSRF (BL17U1)	PHENIX	2021-03-07	34580306	-	-	-	-	N/A	-	-	Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6; Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6; Spike protein S1	31.5	-		No	-		61.4	16.1	61.5		-
7krq	3.44 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	42.23%	42.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-20	33727252	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ljr	3.66 Å	2021-03-31	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-01-30	33442694	-	-	-	-	N/A	-	-	Fab DH1043 light chain; Fab DH1043 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lm8	1.94 Å	2021-03-31	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	16.87%	20.07%	8.60%		-	HKL-2000	100.00%	6.0	APS (23-ID-D)	PHENIX	2021-02-05	33894127	-	-	-	-	N/A	-	-	CV38-142 Fab light chain; CV38-142 Fab heavy chain; COVA1-16 Fab light chain; COVA1-16 Fab heavy chain; Spike protein S1	73.7	-		No	-		81.3	63.8	79.4		-
7lm9	1.53 Å	2021-03-31	X-ray	-	SARS-CoV	Spike	Pathogen-host interaction	16.97%	19.22%	9.10%		-	HKL-2000	95.70%	7.0	APS (23-ID-B)	PHENIX	2021-02-05	33894127	-	-	-	-	N/A	-	-	CV38-142 Fab light chain; CV38-142 Fab heavy chain; Spike glycoprotein	69.8	-		No	-		86.6	51.9	76.9		-
7lo4	2.46 Å	2021-03-31	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.28%	25.14%	16.20%	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.70%	14.1	Australian Synchrotron (MX2)	PHENIX	2021-02-09	-	ZN	-	-	-	N/A	-	-	Spike protein S1; Processed angiotensin-converting enzyme 2	50.8	-		No	-	-	33.9	61.5	81.2		-
7lwi	3.07 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwj	3.24 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwk	2.92 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwl	2.84 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwm	2.83 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwn	2.94 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwo	2.85 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwp	3.01 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwq	3.44 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lws	3.22 Å	2021-03-31	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-03-01	33758838	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwt	3.19 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwu	3.22 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lwv	3.12 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lww	3.00 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-01	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lyk	3.65 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-07	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lyl	3.72 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-07	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lym	3.57 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-07	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lyn	3.32 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-07	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lyo	3.32 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-07	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lyp	4.05 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-07	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lyq	3.34 Å	2021-03-31	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-07	34168071	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7m0j	3.52 Å	2021-03-31	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-03-11	33758838	-	-	-	-	N/A	-	-	Spike glycoprotein - ectodomain (UNP residues 16-1208)	N/A	-		No	-		N/A	N/A	N/A		-
7ca8	2.45 Å	2021-04-07	X-ray	FNO	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.95%	27.89%	12.80%	2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione	2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione	XDS	99.70%	15.7	SSRF (BL17U1)	PHENIX; PHENIX	2020-06-08	33163253	-	-	-	-	N/A	-	-	3C-like proteinase	26.3	-		No	-		14.7	71.9	41.5		-
7d4g	3.90 Å	2021-04-07	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2020-09-23	34676098	-	-	-	-	N/A	-	-	Heavy chain of FC05 Fab; Light chain of FC05 Fab; Spike glycoprotein S1	N/A	-		No	-		N/A	N/A	N/A		-
7e3j	2.99 Å	2021-04-07	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	22.72%	24.79%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.50%	8.8	SSRF (BL19U1)	PHENIX	2021-02-08	34234119	ZN	-	-	-	N/A	-	-	Spike protein S1; ACE2	38.2	-		No	-		37.4	63.4	51.6		-
7mbg	1.86 Å	2021-04-07	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	19.49%	22.21%	17.60%		-	XDS	99.60%	7.2	Diamond (I04)	PHENIX	2021-03-31	34174328	-	-	-	-	N/A	-	-	3C-like proteinase	46.7	-		No	-		63.0	57.7	48.0		-
7nf5	1.94 Å	2021-04-07	X-ray	NA, IPA, ALD	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.19%	22.46%	14.60%	SODIUM ION; ISOPROPYL ALCOHOL; N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	SODIUM ION; ISOPROPYL ALCOHOL; N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	XDS	100.00%	8.0	ELETTRA (11.2C)	PHENIX; PHENIX	2021-02-05	34769210	-	-	-	-	N/A	-	-	Main Protease	68.3	-		No	-		60.7	68.7	82.6		-
7ng3	1.80 Å	2021-04-07	X-ray	ALD	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.87%	21.47%	7.10%	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	XDS	96.60%	10.4	ELETTRA (11.2C)	PHENIX; PHENIX	2021-02-08	34769210	-	-	-	-	N/A	-	-	Main Protease	66.8	-		No	-		70.1	64.3	74.2		-
7ng6	1.87 Å	2021-04-07	X-ray	ALD	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.19%	20.77%	7.10%	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	XDS	96.80%	8.5	ELETTRA (11.2C)	PHENIX; PHENIX	2021-02-08	34769210	-	-	-	-	N/A	-	-	Main Protease	67.5	-		No	-		76.0	53.9	80.4		-
7nng	2.38 Å	2021-04-07	X-ray	PO4, UJK	SARS-CoV-2	NSP13	Functional ligand	24.48%	29.48%	16.30%	PHOSPHATE ION; 1-(2-Methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid	PHOSPHATE ION; 1-(2-Methylphenyl)-1H-1,2,3-triazole-4-carboxylic acid	XDS	96.60%	4.1	Diamond (I04-1)	PHENIX	2021-02-24	34381037	ZN	-	-	-	N/A	-	-	SARS-CoV-2 helicase NSP13	8.8	-		No	-		8.6	15.3	60.7		-
7nx6	2.25 Å	2021-04-07	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	20.73%	24.84%	43.80%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.80%	4.3	Diamond (I03)	PHENIX	2021-03-17	33852911	-	-	-	-	N/A	-	-	COVOX-222 Fab light chain; COVOX-222 Fab Heavy chain; Spike protein S1; EY6A Fab light chain; EY6A Fab heavy chain	28.2	-		No	-		36.7	16.9	78.5		-
7nx7	2.30 Å	2021-04-07	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	20.75%	23.90%	24.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	7.7	Diamond (I03)	PHENIX	2021-03-17	33852911	-	-	-	-	N/A	-	-	COVOX-222 Fab light chain; COVOX-222 Fab heavy chain; Spike protein S1; EY6A Fab light chain; EY6A Fab heavy chain	27.1	-		No	-		45.7	12.3	71.7		-
7nx8	1.95 Å	2021-04-07	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	22.32%	24.58%	12.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	12.0	Diamond (I03)	PHENIX	2021-03-17	33852911	-	-	-	-	N/A	-	-	COVOX-222 Fab light chain; COVOX-222 Fab heavy chain; Spike protein S1; EY6A Fab light chain; EY6A Fab heavy chain	25.3	-		No	-		39.5	11.6	74.9		-
7nx9	2.40 Å	2021-04-07	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.95%	22.85%	25.70%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	7.7	Diamond (I03)	PHENIX	2021-03-17	33852911	-	-	-	-	N/A	-	-	COVOX-222 Fab light chain; COVOX-222 Fab heavy chain; Spike protein S1; EY6A Fab light chain; EY6A Fab heavy chain	40.9	-		No	-		56.6	21.7	79.5		-
7nxa	2.50 Å	2021-04-07	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	20.54%	25.25%	40.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.90%	4.6	Diamond (I03)	PHENIX	2021-03-17	33852911	-	-	-	-	N/A	-	-	COVOX-222 Fab light chain; COVOX-222 Fab heavy chain; Spike protein S1; EY6A Fab light chain; EY6A Fab heavy chain	26.8	-		No	-		33.0	18.1	78.0		-
7nxb	2.67 Å	2021-04-07	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	21.26%	24.60%	36.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	7.0	Diamond (I03)	PHENIX	2021-03-17	33852911	-	-	-	-	N/A	-	-	COVOX-222 Fab light chain; COVOX-222 Fab heavy chain; Spike protein S1; EY6A Fab light chain; EY6A Fab heavy chain	27.0	-		No	-		39.0	14.2	76.3		-
7nxc	3.14 Å	2021-04-07	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	22.63%	27.83%	50.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	5.3	Diamond (I03)	PHENIX	2021-03-17	33852911	-	-	-	-	N/A	-	-	Spike protein S1; Processed angiotensin-converting enzyme 2	21.1	-		No	-		14.9	34.7	67.4		-
7l56	3.60 Å	2021-04-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-12-21	33794145	-	-	-	-	N/A	-	-	Fab 2-43 variable domain light chain; Fab 2-43 variable domain heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7l57	5.87 Å	2021-04-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-12-21	33794145	-	-	-	-	N/A	-	-	Fab 2-15 variable domain light chain; Fab 2-15 variable domain heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7l58	5.07 Å	2021-04-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-12-21	33794145	-	-	-	-	N/A	-	-	Fab H4 variable domain light chain; Fab H4 variable domain heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lkd	2.01 Å	2021-04-14	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.24%	22.57%	8.00%		-	HKL-2000	99.80%	21.5	CHESS (A1)	PHENIX	2021-02-02	35217718	-	-	-	-	N/A	-	-	3C-like proteinase	62.7	-		No	-		59.6	71.3	69.1		-
7lke	2.69 Å	2021-04-14	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	22.51%	29.37%	10.40%		-	HKL-2000	92.80%	11.6	CHESS (A1)	PHENIX	2021-02-02	35217718	-	-	-	-	N/A	-	-	3C-like proteinase	13.7	-		No	-		8.9	36.8	53.7		-
7lmc	2.98 Å	2021-04-14	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	20.76%	28.81%	N/A		-	XDS	88.70%	10.6	APS (17-ID)	BUSTER	2021-02-05	-	-	-	-	-	N/A	-	-	3C-like proteinase; Non-structural protein 4 peptide	13.7	-		No	-	-	10.6	65.8	22.9		-
7lxw	2.80 Å	2021-04-14	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-03-05	33761326	-	-	-	-	N/A	-	-	Spike glycoprotein; S2X333 Fab Heavy Chain variable region; S2X333 Fab Light Chain variable region	N/A	-		No	-		N/A	N/A	N/A		-
7lxx	3.00 Å	2021-04-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-05	33761326	-	-	-	-	N/A	-	-	Spike glycoprotein; S2L28 Fab Light Chain variable region; S2L28 Fab Heavy Chain variable region	N/A	-		No	-		N/A	N/A	N/A		-
7lxy	2.20 Å	2021-04-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-05	33761326	-	-	-	-	N/A	-	-	S2X333 Fab Light Chain variable region; S2X333 Fab Heavy Chain variable region; S2M11 Fab Heavy Chain variable region; S2M11 Fab Light Chain variable region; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7lxz	2.60 Å	2021-04-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-05	33761326	-	-	-	-	N/A	-	-	S2L28 Fab Light Chain variable region; S2L28 Fab Heavy Chain variable region; S2M11 Fab Heavy Chain variable region; S2M11 Fab Light Chain variable region; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ly0	2.60 Å	2021-04-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-05	33761326	-	-	-	-	N/A	-	-	S2M28 Fab Heavy Chain variable region; S2M28 Fab Light Chain variable region; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ly2	2.50 Å	2021-04-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-05	33761326	-	-	-	-	N/A	-	-	S2M28 Fab Light Chain variable region; S2M28 Fab Heavy Chain variable region; S2M11 Fab Heavy Chain variable region; S2M11 Fab Light Chain variable region; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ly3	3.00 Å	2021-04-14	X-ray	XYL, UNX, NAG	SARS-CoV-2	Spike	Protein-protein complex	20.85%	23.39%	N/A	Xylitol; UNKNOWN ATOM OR ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	Xylitol; UNKNOWN ATOM OR ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	12.6	ALS (5.0.2)	PHENIX	2021-03-05	33761326	-	-	-	-	N/A	-	-	S2M28 Fab Light Chain; S2M28 Fab Heavy Chain; Spike protein S1	72.7	-		No	-		51.3	91.1	79.7		-
7me0	2.48 Å	2021-04-14	Cryo-EM	-	SARS-CoV-2	NSP15	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-04-06	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	N/A	-		No	-		N/A	N/A	N/A		-
7d7k	1.90 Å	2021-04-21	X-ray	CFF	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.28%	20.74%	12.80%	CAFFEINE	CAFFEINE	XDS	98.80%	25.84	SSRF (BL17U1)	PHENIX	2020-10-04	33864621	ZN	-	-	-	N/A	-	-	Non-structural protein 3	52.8	-		No	-		76.2	43.4	60.9		-
7d7l	2.11 Å	2021-04-21	X-ray	GXU, CFF	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.33%	21.83%	28.10%	1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione; CAFFEINE	1-(2-methoxyethyl)-2-methyl-3-(pyrazin-2-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione; CAFFEINE	XDS	99.90%	17.71	SLS (X06SA)	PHENIX	2020-10-04	33864621	ZN	-	-	-	N/A	-	-	Non-structural protein 3	47.9	-		No	-		66.7	34.8	69.6		-
7dx4	3.60 Å	2021-04-21	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-01-18	34676098	-	-	-	-	N/A	-	-	Light chain of FC08 Fab; Heavy chain of FC08 Fab; Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7krn	3.40 Å	2021-04-21	Cryo-EM	ADP, AF3, 1N7	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13	Protein-protein complex	N/A	N/A	N/A	ADENOSINE-5'-DIPHOSPHATE; RNA (43-MER); RNA (37-MER); ALUMINUM FLUORIDE; CHAPSO	ADENOSINE-5'-DIPHOSPHATE; ALUMINUM FLUORIDE; CHAPSO		-	-	()	PHENIX	2020-11-20	33883267	MG; ZN	-	-	-	N/A	-	-	RNA (43-MER); RNA (37-MER); Helicase - UNP residues 5325-5925; Non-structural protein 7 - UNP residues 3860-3942; Non-structural protein 8 - UNP residues 3943-4140; RNA-directed RNA polymerase - UNP residues 4393-5324	N/A	-		No	-		N/A	N/A	N/A	RNA (43-MER); RNA (37-MER)	-
7kro	3.60 Å	2021-04-21	Cryo-EM	ADP, AF3, 1N7	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13	Protein-protein complex	N/A	N/A	N/A	ADENOSINE-5'-DIPHOSPHATE; RNA (43-MER); RNA (37-MER); ALUMINUM FLUORIDE; CHAPSO	ADENOSINE-5'-DIPHOSPHATE; ALUMINUM FLUORIDE; CHAPSO		-	-	()	PHENIX	2020-11-20	33883267	MG; ZN	-	-	-	N/A	-	-	RNA (43-MER); RNA (37-MER); Helicase - UNP residues 5325-5925; Non-structural protein 7 - UNP residues 3860-3942; Non-structural protein 8 - UNP residues 3943-4140; RNA-directed RNA polymerase - UNP residues 4393-5324	N/A	-		No	-		N/A	N/A	N/A	RNA (37-MER); RNA (43-MER)	-
7krp	3.20 Å	2021-04-21	Cryo-EM	1N7, ADP	SARS-CoV-2	NSP7/NSP8/NSP12	Protein-protein complex	N/A	N/A	N/A	CHAPSO; ADENOSINE-5'-DIPHOSPHATE; RNA (36-MER); RNA (37-MER)	CHAPSO; ADENOSINE-5'-DIPHOSPHATE		-	-	()	PHENIX	2020-11-20	33883267	MG; ZN	-	-	-	N/A	-	-	RNA (36-MER); RNA (37-MER); Non-structural protein 7 - UNP residues 3860-3942; Non-structural protein 8 - UNP residues 3943-4140; RNA-directed RNA polymerase - UNP residues 4393-5324	N/A	-		No	-		N/A	N/A	N/A	RNA (37-MER); RNA (36-MER)	-
7b14	3.79 Å	2021-04-28	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-23	33436526	-	-	-	-	N/A	-	-	Nanobody against SARS-CoV-2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7b18	2.62 Å	2021-04-28	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-11-24	33436526	-	-	-	-	N/A	-	-	Nanobody against spike glycoprotein VHH V; Nanobody against SARS-CoV-2 VHH E; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7b62	1.82 Å	2021-04-28	X-ray	1PE, PGE, PG4, NAG, BLA	SARS-CoV-2	Spike	Protein-protein complex	16.39%	19.98%	16.60%	PENTAETHYLENE GLYCOL; TRIETHYLENE GLYCOL; 2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA	PENTAETHYLENE GLYCOL; TRIETHYLENE GLYCOL; TETRAETHYLENE GLYCOL; 2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA	XDS	99.40%	12.4	SLS (X06SA)	PHENIX; PHENIX	2020-12-07	33888467	-	-	-	-	N/A	-	-	Spike glycoprotein	68.4	-		No	-		81.9	64.4	66.0		-
7nt9	3.36 Å	2021-04-28	Cryo-EM	NAG, BLA	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA		-	-	()	PHENIX	2021-03-09	33888467	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7nta	3.50 Å	2021-04-28	Cryo-EM	NAG, BLA	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA		-	-	()	PHENIX	2021-03-09	33888467	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ntc	3.60 Å	2021-04-28	Cryo-EM	NAG, BLA	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA		-	-	()	PHENIX	2021-03-09	33888467	-	-	-	-	N/A	-	-	P008_056 Fab Light chain; P008_056 Fab Heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
6ln0	2.46 Å	2021-05-05	X-ray	-	SARS-CoV-2	NSP3	No functional ligands	20.81%	25.94%	14.00%		-	HKL-2000	98.80%	8.0	SSRF (BL17U)	PHENIX	2019-12-27	33327866	ZN	-	-	-	N/A	-	-	nonstructural protein 3	41.3	-		No	-		57.0	73.5	27.9		-
7cam	2.85 Å	2021-05-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.13%	30.92%	14.90%		-	HKL-2000	95.20%	10.6	NSRRC (BL15A1)	PHENIX	2020-06-09	32905393	-	-	-	-	N/A	-	-	3C-like proteinase	29.1	-		No	-		6.0	93.1	35.1		-
7cb7	1.69 Å	2021-05-05	X-ray	B1S, K36, NA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.66%	19.16%	2.30%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; SODIUM ION	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; SODIUM ION	HKL-2000	97.61%	24.3	NSRRC (BL15A1)	PHENIX	2020-06-10	32905393	-	-	-	-	N/A	-	-	3C-like proteinase	64.2	-		No	-		86.9	50.6	65.8		-
7e23	3.30 Å	2021-05-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-02-04	33893388	-	-	-	-	N/A	-	-	CA521 Light Chain; CA521 Heavy Chain; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7ldj	2.36 Å	2021-05-05	X-ray	PG4, NAG, MAN	SARS-CoV-2	Spike	Functional ligand	21.03%	26.81%	8.40%	alpha-D-mannopyranose	TETRAETHYLENE GLYCOL; 2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose	XDS	100.00%	12.8	Australian Synchrotron (MX2)	PHENIX	2021-01-13	-	-	-	-	-	N/A	-	-	Nanobody 2; Spike glycoprotein - receptor binding domain (UNP residues 331-527)	21.6	-		No	-	-	20.7	44.6	52.8		-
7lw3	2.30 Å	2021-05-05	X-ray	YG4, SAH, MES	SARS-CoV-2	NSP10/NSP16	Functional ligand	22.24%	25.11%	8.90%	[(2~{R},3~{R},4~{R},5~{R})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{R},3~{S},4~{R},5~{S})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; S-ADENOSYL-L-HOMOCYSTEINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	[(2~{R},3~{R},4~{R},5~{R})-5-(6-azanyl-7,8-dihydropurin-9-yl)-2-[[[[[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxy-oxidanyl-phosphoryl]oxymethyl]-4-methoxy-oxolan-3-yl] [(2~{R},3~{S},4~{R},5~{S})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate; S-ADENOSYL-L-HOMOCYSTEINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	99.90%	15.2	APS (24-ID-C)	PHENIX	2021-02-27	34078893	ZN; MG	-	-	-	N/A	-	-	Non-structural protein 10; 2'-O-methyltransferase	18.3	-		No	-		34.1	21.8	54.8		-
7lw4	2.50 Å	2021-05-05	X-ray	SAH, MES	SARS-CoV-2	NSP10/NSP16	Functional ligand	20.38%	24.05%	11.30%	S-ADENOSYL-L-HOMOCYSTEINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	S-ADENOSYL-L-HOMOCYSTEINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	99.90%	8.7	APS (24-ID-C)	PHENIX	2021-02-27	34078893	ZN	-	-	-	N/A	-	-	Non-structural protein 10; 2'-O-methyltransferase	57.3	-		No	-		44.4	59.4	85.3		-
7lx5	3.44 Å	2021-05-05	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-03-03	33893175	-	-	-	-	N/A	-	-	WNb 10; WNb 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7m6d	3.10 Å	2021-05-05	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	21.85%	25.91%	27.10%		-	XDS	97.90%	4.0	SSRL (BL12-2)	PHENIX	2021-03-25	34015271	-	-	-	-	N/A	-	-	BG4-25 Fab Light Chain; BG4-25 Fab Heavy Chain; Spike protein S1 - Receptor Binding Domain; CR3022 Fab Light Chain; CR3022 Fab Heavy Chain	20.2	-		No	-		27.2	51.2	36.4		-
7m6e	3.30 Å	2021-05-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-25	34015271	-	-	-	-	N/A	-	-	BG10-19 Fab Light Chain; BG10-19 Fab Heavy Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7m6f	3.90 Å	2021-05-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-25	34015271	-	-	-	-	N/A	-	-	BG1-22 Fab Light Chain; BG1-22 Fab Heavy Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7m6g	3.70 Å	2021-05-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-25	34015271	-	-	-	-	N/A	-	-	BG7-15 Fab Light Chain; BG7-15 Fab Heavy Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7m6h	4.00 Å	2021-05-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-25	34015271	-	-	-	-	N/A	-	-	BG7-20 Fab Light Chain; BG7-20 Fab Heavy Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7m6i	4.00 Å	2021-05-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-25	34015271	-	-	-	-	N/A	-	-	BG1-24 Fab Light Chain; BG1-24 Fab Heavy Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7m7w	2.65 Å	2021-05-05	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	22.12%	27.10%	14.90%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.60%	10.9	SSRL (BL9-2)	REFMAC	2021-03-29	34261126	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain (UNP residues 328-531); Monoclonal antibody S2H97 Fab heavy chain; Monoclonal antibody S2H97 Fab light chain; Monoclonal antibody S2X259 Fab heavy chain; Monoclonal antibody S2X259 Fab light chain	38.3	-		No	-		18.9	66.8	66.9		-
7m8k	-	2021-05-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-29	33887205	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mc5	1.64 Å	2021-05-05	X-ray	TLA	SARS-CoV-2	NSP10/NSP14	Protein-protein complex	16.63%	19.69%	11.40%	L(+)-TARTARIC ACID	L(+)-TARTARIC ACID	XDS	98.90%	12.2	APS (24-ID-C)	PHENIX	2021-04-01	35165203	ZN	-	-	-	N/A	-	-	Non-structural protein 10 - UNP residues 4254-4392; Proofreading exoribonuclease - UNP residues 5926-6214	81.8	-		No	-		83.8	91.2	74.3		-
7mc6	2.10 Å	2021-05-05	X-ray	-	SARS-CoV-2	NSP10/NSP14	Protein-protein complex	19.71%	21.87%	6.00%		-	XDS	97.80%	11.2	APS (24-ID-C)	PHENIX	2021-04-01	35165203	MG; ZN	-	-	-	N/A	-	-	Non-structural protein 10 - UNP residues 4254-4392; Proofreading exoribonuclease - UNP residues 5926-6214	70.1	-		No	-		66.4	53.9	95.7		-
7b27	2.90 Å	2021-05-12	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	26.61%	30.51%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	93.50%	7.8	SLS (X06SA)	REFMAC	2020-11-26	33904225	-	-	-	-	N/A	-	-	neutralizing nanobody NM1230; Surface glycoprotein	17.9	-		No	-		6.5	74.4	28.6		-
7dhg	2.20 Å	2021-05-12	X-ray	-	SARS-CoV-2	ORF9B	Protein-protein complex	22.41%	26.68%	9.90%		-	XDS	98.10%	10.33	SSRF (BL17U)	PHENIX	2020-11-14	33990585	-	-	-	-	N/A	-	-	ORF9b protein; Mitochondrial import receptor subunit TOM70	45.3	-		No	-		21.8	83.5	60.8		-
7dpp	2.10 Å	2021-05-12	X-ray	MYC	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.49%	22.02%	9.10%	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	3,5,7-TRIHYDROXY-2-(3,4,5-TRIHYDROXYPHENYL)-4H-CHROMEN-4-ONE	HKL-3000	99.70%	4.1	SSRF (BL18U1)	PHENIX	2020-12-21	34131140	-	-	-	-	N/A	-	-	3C-like proteinase	72.6	-		No	-		64.8	63.1	93.9		-
7dpu	1.75 Å	2021-05-12	X-ray	HER	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.47%	19.90%	11.20%	7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one	7-methoxy-3,5-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one	HKL-3000	97.70%	4.9	SSRF (BL18U1)	PHENIX	2020-12-21	34131140	-	-	-	-	N/A	-	-	3C-like proteinase	85.5	-		No	-		82.3	88.6	97.7		-
7dpv	2.35 Å	2021-05-12	X-ray	HF0	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.21%	23.36%	28.30%	(2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one	(2S,3S)-3,5-dihydroxy-7-methoxy-2-(3,4,5-trihydroxyphenyl)chroman-4-one	HKL-3000	99.50%	3.5	SSRF (BL18U1)	PHENIX	2020-12-21	34131140	-	-	-	-	N/A	-	-	3C-like proteinase	62.6	-		No	-		51.5	55.3	93.1		-
7lcp	1.90 Å	2021-05-12	X-ray	CA, UED	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.53%	22.08%	N/A	CALCIUM ION; N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	CALCIUM ION; N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	98.04%	16.12	SSRL (BL12-2)	PHENIX	2021-01-11	33895266	CA	-	-	-	N/A	-	-	3C-like proteinase	30.1	-		No	-		64.4	39.8	31.9		-
7lcq	2.15 Å	2021-05-12	X-ray	UED	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.55%	22.32%	N/A	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	96.94%	14.77	SSRL (BL12-2)	PHENIX	2021-01-11	33895266	-	-	-	-	N/A	-	-	3C-like proteinase	22.2	-		No	-		61.9	25.0	32.5		-
7m3i	2.80 Å	2021-05-12	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	24.54%	28.11%	3.40%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.48%	12.1	APS (19-ID)	PHENIX	2021-03-18	34237283	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain; CV2-75 Fab Light chain; CV2-75 Fab Heavy chain	12.1	-		No	-		13.5	25.0	56.4		-
7mf1	2.09 Å	2021-05-12	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	20.68%	25.03%	9.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.00%	5.5	NSLS-II (17-ID-2)	PHENIX	2021-04-08	33932326	-	-	-	-	N/A	-	-	47D1 Fab light chain; 47D1 Fab heavy chain; Spike protein S1 - Receptor binding domain, UNP residues 333-530	43.7	-		No	-		34.9	69.8	58.3		-
7mhf	1.55 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.34%	22.23%	15.79%		-	xia2	99.72%	3.2643	NSLS-II (17-ID-2)	PHENIX	2021-04-15	36071812	-	-	-	-	N/A	-	-	3C-like proteinase	52.6	-		No	-		61.0	48.9	70.2		-
7mhg	1.53 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.01%	20.43%	18.01%		-	xia2	99.97%	7.8732	NSLS-II (17-ID-2)	PHENIX	2021-04-15	36071812	-	-	-	-	N/A	-	-	3C-like proteinase	74.3	-		No	-		78.0	64.4	83.5		-
7mhh	2.19 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	19.94%	25.47%	29.16%		-	xia2	99.89%	4.4679	NSLS-II (17-ID-2)	PHENIX	2021-04-15	36071812	-	-	-	-	N/A	-	-	3C-like proteinase	38.8	-		No	-		33.0	45.7	74.8		-
7mhi	1.88 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.57%	22.76%	18.18%		-	xia2	100.00%	5.0456	NSLS-II (17-ID-2)	PHENIX	2021-04-15	36071812	-	-	-	-	N/A	-	-	3C-like proteinase	61.3	-		No	-		57.5	48.9	90.6		-
7mhj	2.00 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	19.42%	24.21%	17.81%		-	xia2	99.03%	6.2709	NSLS-II (17-ID-2)	PHENIX	2021-04-15	36071812	-	-	-	-	N/A	-	-	3C-like proteinase	44.8	-		No	-		45.2	42.8	77.1		-
7mhk	1.96 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.39%	24.82%	19.52%		-	xia2	99.86%	5.3964	NSLS-II (17-ID-2)	PHENIX	2021-04-15	36071812	-	-	-	-	N/A	-	-	3C-like proteinase	38.6	-		No	-		37.8	42.8	72.7		-
7mhl	1.55 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.00%	22.35%	15.79%		-	xia2	99.72%	3.2643	NSLS-II (17-ID-2)	PHENIX	2021-04-15	36071812	-	-	-	-	N/A	-	-	3C-like proteinase	25.5	-		No	-		57.9	20.3	48.2		-
7mhm	1.53 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.06%	19.78%	18.01%		-	xia2	99.97%	7.8732	NSLS-II (17-ID-2)	PHENIX	2021-04-15	36071812	-	-	-	-	N/A	-	-	3C-like proteinase	45.0	-		No	-		83.9	37.2	44.5		-
7mhn	2.19 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.26%	21.69%	29.16%		-	xia2	99.89%	4.4679	NSLS-II (17-ID-2)	PHENIX	2021-04-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	20.0	-		No	-	-	69.5	18.2	26.7		-
7mho	1.88 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.67%	20.77%	18.18%		-	xia2	100.00%	5.0456	NSLS-II (17-ID-2)	PHENIX	2021-04-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	29.3	-		No	-	-	75.4	24.3	34.6		-
7mhp	2.00 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	15.92%	21.74%	17.81%		-	xia2	99.03%	6.2709	NSLS-II (17-ID-2)	PHENIX	2021-04-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	17.4	-		No	-	-	63.8	19.3	25.5		-
7mhq	1.96 Å	2021-05-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.86%	22.40%	19.52%		-	xia2	99.86%	5.3964	NSLS-II (17-ID-2)	PHENIX	2021-04-15	-	-	-	-	-	N/A	-	-	3C-like proteinase	11.7	-		No	-	-	50.3	16.5	26.8		-
7mjg	2.81 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-04-20	33914735	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mjh	2.66 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-04-20	33914735	-	-	-	-	N/A	-	-	VH ab8; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mji	2.81 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-04-20	33914735	-	-	-	-	N/A	-	-	VH ab8; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mjj	3.32 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-04-20	33914735	-	-	-	-	N/A	-	-	Fab ab1 Light Chain; Fab ab1 Heavy Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mjk	2.73 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-04-20	33914735	-	-	-	-	N/A	-	-	Fab ab1 Light Chain; Fab ab1 Heavy Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mjl	2.95 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-04-20	33914735	-	-	-	-	N/A	-	-	Fab ab1 Light Chain; Fab ab1 Heavy Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mjm	2.83 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-04-20	33914735	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mjn	3.29 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-04-20	33914735	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mkl	3.20 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-04-24	34481543	-	-	-	-	N/A	-	-	SARS2-38 Fv light chain; SARS2-38 Fv heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mkm	3.16 Å	2021-05-12	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-04-24	34481543	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain (UNP residues 333-520); SARS2-38 Fv light chain; SARS2-38 Fv heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7mmo	2.43 Å	2021-05-12	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	22.61%	25.26%	6.90%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.80%	15.0	APS (31-ID)	BUSTER	2021-04-30	33972947	-	-	-	-	N/A	-	-	Spike protein S1 - receptor-binding domain; LY-CoV1404 Fab light chain; LY-CoV1404 Fab heavy chain	46.2	-		No	-		32.9	41.1	93.8		-
7mng	1.70 Å	2021-05-12	X-ray	ZL7	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.95%	21.79%	18.40%	(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)	(2R,3S)-N-cyclopropyl-3-{[(2R)-3-(cyclopropylmethanesulfonyl)-2-{[(1S)-2,2,2-trifluoro-1-(4-fluorophenyl)ethyl]amino}propanoyl]amino}-2-hydroxypentanamide (non-preferred name)	XDS	100.00%	9.0	NSLS-II (17-ID-2)	REFMAC	2021-04-30	35842458	-	-	-	-	N/A	-	-	3C-like proteinase	34.0	-		No	-		67.2	42.8	34.0		-
7mpb	2.30 Å	2021-05-12	X-ray	ETF, ASC	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.99%	24.40%	20.00%	ASCORBIC ACID	TRIFLUOROETHANOL; ASCORBIC ACID	MOSFLM	92.60%	8.2	APS (19-ID)	PHENIX	2021-05-04	-	-	-	-	-	N/A	-	-	3C-like proteinase	25.1	-		No	-	-	41.0	30.5	54.2		-
7nkt	2.30 Å	2021-05-12	X-ray	PO4, NAG	SARS-CoV-2	Spike	Pathogen-host interaction	18.43%	22.39%	N/A	PHOSPHATE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	PHOSPHATE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	19.5	SLS (X06DA)	REFMAC	2021-02-18	33904225	-	-	-	-	N/A	-	-	neutralizing nanobody NM1226; Spike protein S1	53.7	-		No	-		61.4	70.3	50.5		-
7ofs	1.90 Å	2021-05-12	X-ray	YRL	SARS-CoV-2	NSP3: PLpro	Functional ligand	19.39%	22.43%	N/A	4-(2-hydroxyethyl)phenol	4-(2-hydroxyethyl)phenol	XDS	99.92%	15.25	PETRA III, DESY (P11)	PHENIX; PHENIX	2021-05-05	35953531	ZN	-	-	-	N/A	-	-	Non-structural protein 3	50.8	-		No	-		70.4	16.3	89.8		-
7oft	1.95 Å	2021-05-12	X-ray	HBA	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.29%	21.35%	N/A	P-HYDROXYBENZALDEHYDE	P-HYDROXYBENZALDEHYDE	XDS	99.95%	20.61	PETRA III, DESY (P11)	PHENIX; PHENIX	2021-05-05	35953531	ZN	-	-	-	N/A	-	-	Non-structural protein 3	52.2	-		No	-		72.8	16.7	89.7		-
7ofu	1.72 Å	2021-05-12	X-ray	PO4, HE9	SARS-CoV-2	NSP3: PLpro	Functional ligand	17.92%	20.87%	N/A	PHOSPHATE ION; methyl 3,4-bis(oxidanyl)benzoate	PHOSPHATE ION; methyl 3,4-bis(oxidanyl)benzoate	XDS	100.00%	16.66	PETRA III, DESY (P11)	REFMAC	2021-05-05	35953531	ZN	-	-	-	N/A	-	-	Non-structural protein 3	66.4	-		No	-		80.3	57.1	70.4		-
7akd	4.00 Å	2021-05-19	Cryo-EM	MAN, FUC, NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose; alpha-D-mannopyranose-(1-3)-alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose; alpha-L-fucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	alpha-D-mannopyranose; alpha-L-fucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-09-30	33958322	-	-	-	-	N/A	-	-	47D11 neutralizing antibody light chain; 47D11 neutralizing antibody heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7akj	3.80 Å	2021-05-19	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-10-01	33958322	-	-	-	-	N/A	-	-	47D11 neutralizing antibody light chain; 47D11 neutralizing antibody heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7c53	2.28 Å	2021-05-19	X-ray	CA	SARS-CoV-2	Spike	Protein-protein complex	19.51%	24.18%	N/A	CALCIUM ION	CALCIUM ION	XDS	99.70%	17.12	ROTATING ANODE ()	PHENIX	2020-05-19	34326308	CA	-	-	-	N/A	-	-	Spike protein S2',pan-CoVs inhibitor EK1 - HR1 motif	32.6	-		No	-		43.3	38.8	59.0		-
7cho	2.56 Å	2021-05-19	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	20.17%	24.73%	11.70%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	95.90%	9.5	SSRF (BL17U)	PHENIX	2020-07-06	34244522	-	-	-	-	N/A	-	-	antibody P5A-1D2 light chain; antibody P5A-1D2 heavy chain; Spike protein S1 - receptor binding domain	25.6	-		No	-		37.8	46.4	42.3		-
7chp	2.36 Å	2021-05-19	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.34%	21.98%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	97.30%	13.0	SSRF (BL17U)	PHENIX	2020-07-06	34244522	-	-	-	-	N/A	-	-	antibody P5A-3C8 light chain; antibody P5A-3C8 heavy chain; Spike protein S1 - receptor binding domain	50.6	-		No	-		65.4	42.0	68.9		-
7chs	2.40 Å	2021-05-19	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.08%	22.44%	11.40%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	13.1	SSRF (BL17U)	PHENIX	2020-07-06	34244522	-	-	-	-	N/A	-	-	antibody P22A-1D1 light chain; antibody P22A-1D1 heavy chain; Spike protein S1 - receptor binding domain	46.4	-		No	-		60.8	62.2	45.2		-
7ddo	3.40 Å	2021-05-19	Cryo-EM	NAG	Pangolin CoV	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-10-29	34018203	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7ddp	3.40 Å	2021-05-19	Cryo-EM	NAG	Pangolin CoV	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-10-29	34018203	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7diy	2.69 Å	2021-05-19	X-ray	-	SARS-CoV-2	NSP10/NSP14	Protein-protein complex	23.01%	26.37%	12.80%		-	HKL-2000	99.60%	11.0	SSRF (BL18U1)	PHENIX	2020-11-19	33956156	MG; ZN	-	-	-	N/A	-	-	nsp14-ExoN protein - UNP residues 5926-6214; nsp10 protein - UNP residues 4254-4392	24.8	-		No	-		24.0	66.2	34.7		-
7m8j	3.48 Å	2021-05-19	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-03-29	33947773	-	-	-	-	N/A	-	-	CM25 Fab - Light Chain; CM25 Fab - Heavy Chain; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7mrr	2.32 Å	2021-05-19	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	19.40%	24.55%	11.50%	LEUPEPTIN	-	XDS	98.30%	12.1	NSLS-II (17-ID-2)	REFMAC	2021-05-08	35842458	-	-	-	-	N/A	-	-	LEUPEPTIN; 3C-like proteinase	54.9	-		No	-		39.7	64.7	80.1		-
7e8m	2.09 Å	2021-05-26	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	16.89%	19.86%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	90.92%	17.2	SSRF (BL17U1)	PHENIX	2021-03-02	34166623	-	-	-	-	N/A	-	-	antibody P2C-1F11 light chain; antibody P2C-1F11 heavy chain; Spike protein S1	57.1	-		No	-		82.7	29.8	76.4		-
7kqb	2.42 Å	2021-05-26	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-11-14	33974910	-	-	-	-	N/A	-	-	Fab 5A6 light chain; Fab 5A6 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7kqe	2.88 Å	2021-05-26	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2020-11-15	33974910	-	-	-	-	N/A	-	-	Spike glycoprotein; Fab 3D11 light chain; Fab 3D11 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7m5e	2.50 Å	2021-05-26	Cryo-EM	SIA, NAG, FOL	MERS-CoV	Spike	Functional ligand	N/A	N/A	N/A	FOLIC ACID	N-acetyl-alpha-neuraminic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose; FOLIC ACID		-	-	()		2021-03-23	33981021	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7m71	2.66 Å	2021-05-26	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-26	33974910	-	-	-	-	N/A	-	-	Antibody 5A6 Fab light chain; Antibody 5A6 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7m7b	2.95 Å	2021-05-26	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-27	33974910	-	-	-	-	N/A	-	-	Antibody Fab 3D11 light chain; Antibody Fab 3D11 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7msw	3.76 Å	2021-05-26	Cryo-EM	-	SARS-CoV-2	NSP2	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-05-12	-	ZN	-	-	-	N/A	-	-	Non-structural protein 2	N/A	-		No	-	-	N/A	N/A	N/A		-
7msx	3.15 Å	2021-05-26	Cryo-EM	-	SARS-CoV-2	NSP2	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-05-12	-	ZN	-	-	-	N/A	-	-	Non-structural protein 2	N/A	-		No	-	-	N/A	N/A	N/A		-
7baj	1.65 Å	2021-06-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.55%	20.66%	3.80%		-	DIALS	99.90%	13.2	Diamond (I04)	REFMAC	2020-12-15	34031399	-	-	-	-	N/A	-	-	Main Protease	74.4	-		No	-		76.9	68.9	80.6		-
7bak	2.05 Å	2021-06-02	X-ray	SE	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.00%	21.93%	4.80%	SELENIUM ATOM	SELENIUM ATOM	DIALS	99.50%	12.4	Diamond (I04)	REFMAC	2020-12-15	34031399	-	-	-	-	N/A	-	-	Main Protease	67.6	-		No	-		65.7	73.6	71.1		-
7bal	1.85 Å	2021-06-02	X-ray	SE	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.39%	24.90%	7.50%	SELENIUM ATOM	SELENIUM ATOM	DIALS	99.90%	8.6	Diamond (I04)	REFMAC	2020-12-15	34031399	-	-	-	-	N/A	-	-	Main Protease	50.9	-		No	-		36.0	73.2	67.5		-
7dzw	3.45 Å	2021-06-02	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-01-26	34139176	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dzx	3.53 Å	2021-06-02	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-01-26	34139176	-	-	-	-	N/A	-	-	Fab Heavy chain of enhancing antibody; Fab light chain of enhancing antibody; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dzy	3.60 Å	2021-06-02	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-01-26	34139176	-	-	-	-	N/A	-	-	Fab light chain of enhancing antibody 2490; Spike glycoprotein; Fab Heavy chain of enhancing antibody 2490	N/A	-		No	-		N/A	N/A	N/A		-
7mfu	1.70 Å	2021-06-02	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	18.11%	21.49%	8.60%		-	XDS	98.44%	8.87	APS (22-ID)	PHENIX	2021-04-11	34537245	-	-	-	-	N/A	-	-	Synthetic nanobody #68 (Sb68); Synthetic Nanobody #14 (Sb14); Spike protein S1 - Receptor Binding Domain (RBD)	73.7	-		No	-		70.0	64.6	89.9		-
7n06	2.20 Å	2021-06-02	Cryo-EM	-	SARS-CoV-2	NSP15	No functional ligands	N/A	N/A	N/A	RNA (5'-R(APUP*A)-3')	-		-	-	()	phenix.real_space_refine; PHENIX	2021-05-25	34403466	-	-	-	-	N/A	-	-	RNA (5'-R(APUP*A)-3'); Uridylate-specific endoribonuclease	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(APUP*A)-3')	-
7n0g	3.02 Å	2021-06-02	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-25	34537245	-	-	-	-	N/A	-	-	Spike glycoprotein; Synthetic nanobody (sybody), Sb45	N/A	-		No	-		N/A	N/A	N/A		-
7n0h	3.34 Å	2021-06-02	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-05-25	34537245	-	-	-	-	N/A	-	-	Synthetic nanobody (Sb45); Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n0r	1.42 Å	2021-06-02	X-ray	-	SARS-CoV-2	Nucleocapsid	Pathogen-host interaction	14.05%	16.62%	3.70%		-	XDS	99.10%	25.7	APS (24-ID-E)	PHENIX	2021-05-25	34381460	-	-	-	-	N/A	-	-	Single-domain antibody C2; Nucleoprotein - RNA-binding domain	77.5	-		No	-		96.0	55.4	83.4		-
7o7y	2.20 Å	2021-06-02	Cryo-EM	SPD, UNX, SPM	SARS-CoV-2	Ribosome	Functional ligand	N/A	N/A	N/A	mRNA containing SARS-CoV-2 sequence; UNKNOWN ATOM OR ION; SPERMIDINE; SPERMINE	SPERMIDINE; UNKNOWN ATOM OR ION; SPERMINE		-	-	()		2021-04-14	34029205	MG; ZN	-	-	-	N/A	-	-	60S ribosomal protein L9; 18S rRNA; E-site tRNA; P-site Phe-tRNA(Phe); 40S ribosomal protein SA; 40S ribosomal protein S3a; Ribosomal protein uS5; 40S ribosomal protein S3; Ribosomal protein eS4; Ribosomal protein S5; 40S ribosomal protein S6; 40S ribosomal protein S7; 40S ribosomal protein S27; 40S ribosomal protein S8; Ribosomal protein S9 (Predicted); eS10; 40S ribosomal protein S11; 40S ribosomal protein S12; uS15; 40S ribosomal protein uS11; 40S ribosomal protein uS19; uS9; 40S ribosomal protein eS17; Ribosomal protein S28; 40S ribosomal protein S18; Ribosomal protein eS19; 40S ribosomal protein uS10; Ribosomal protein eS21; Ribosomal protein S15a; 40S ribosomal protein S23; 40S ribosomal protein S24; 40S ribosomal protein S25; 60s ribosomal protein l41; 28S rRNA; Ribosomal protein S27a; 5S rRNA; 5.8S rRNA; Ribosomal protein uL2; Ribosomal protein L3; 60S ribosomal protein L4; Ribosomal_L18_c domain-containing protein; 60S ribosomal protein L6; Ribosomal Protein uL30; Ribosomal protein eL8; 40S ribosomal protein S30; 60S ribosomal protein L10; Ribosomal protein L11; Replicase polyprotein 1ab; Ribosomal protein eL13; Ribosomal protein L14; Ribosomal protein L15; Ribosomal protein uL13; uL22; Ribosomal Protein eL18; 60S ribosomal protein L19; Ribosomal protein eS26; Ribosomal protein eL20; eL21; Ribosomal protein eL22; Ribosomal protein L23; eL24; uL23; Ribosomal protein L26; 60S ribosomal protein L27; 60S ribosomal protein L27a; 60S ribosomal protein L29; RACK1; eL30; eL31; eL32; eL33; 60S ribosomal protein L34; uL29; 60S ribosomal protein L36; Ribosomal protein L37; eL38; eL39; uS14; 60S ribosomal protein L40; eL42; eL43; Ribosomal protein eL28; 60S acidic ribosomal protein P0; Ribosomal protein L12; Ribosomal protein uL1; mRNA containing SARS-CoV-2 sequence	N/A	-		No	-		N/A	N/A	N/A	mRNA containing SARS-CoV-2 sequence	-
7o7z	2.40 Å	2021-06-02	Cryo-EM	SPD, UNX, SPM	SARS-CoV-2	Ribosome	Functional ligand	N/A	N/A	N/A	mRNA containing SARS-CoV-2 sequence; SPERMINE; UNKNOWN ATOM OR ION; SPERMIDINE	SPERMIDINE; UNKNOWN ATOM OR ION; SPERMINE		-	-	()		2021-04-14	34029205	MG; ZN	-	-	-	N/A	-	-	eL24; uL23; Ribosomal protein L26; 60S ribosomal protein L27; 60S ribosomal protein L27a; 60S ribosomal protein L29; RACK1; eL30; eL31; eL32; eL33; 60S ribosomal protein L34; uL29; 60S ribosomal protein L36; Ribosomal protein L37; eL38; eL39; uS14; 60S ribosomal protein L40; eL42; eL43; Ribosomal protein eL28; 60S acidic ribosomal protein P0; Ribosomal protein L12; Ribosomal protein uL1; mRNA containing SARS-CoV-2 sequence; 18S rRNA; E-site tRNA; P-site Phe-tRNA(Phe); 40S ribosomal protein SA; 40S ribosomal protein S3a; Ribosomal protein uS5; 40S ribosomal protein S3; Ribosomal protein eS4; Ribosomal protein S5; 40S ribosomal protein S6; 40S ribosomal protein S7; 40S ribosomal protein S27; 40S ribosomal protein S8; Ribosomal protein S9 (Predicted); eS10; 40S ribosomal protein S11; 40S ribosomal protein S12; uS15; 40S ribosomal protein uS11; 40S ribosomal protein uS19; uS9; 40S ribosomal protein eS17; Ribosomal protein S28; 40S ribosomal protein S18; Ribosomal protein eS19; 40S ribosomal protein uS10; Ribosomal protein eS21; Ribosomal protein S15a; 40S ribosomal protein S23; 40S ribosomal protein S24; 40S ribosomal protein S25; 60s ribosomal protein l41; 28S rRNA; Ribosomal protein S27a; 5S; 5.8S rRNA; Ribosomal protein uL2; Ribosomal protein L3; 60S ribosomal protein L4; Ribosomal_L18_c domain-containing protein; 60S ribosomal protein L6; Ribosomal Protein uL30; Ribosomal protein eL8; 60S ribosomal protein L9; 40S ribosomal protein S30; 60S ribosomal protein L10; Ribosomal protein L11; Replicase polyprotein 1ab; Ribosomal protein eL13; Ribosomal protein L14; Ribosomal protein L15; Ribosomal protein uL13; uL22; Ribosomal Protein eL18; 60S ribosomal protein L19; Ribosomal protein eS26; Ribosomal protein eL20; eL21; Ribosomal protein eL22; Ribosomal protein L23	N/A	-		No	-		N/A	N/A	N/A	mRNA containing SARS-CoV-2 sequence	-
7o80	2.90 Å	2021-06-02	Cryo-EM	SPD, SF4, GTP, UNX	SARS-CoV-2	Ribosome	Functional ligand	N/A	N/A	N/A	IRON/SULFUR CLUSTER; SPERMIDINE; mRNA containing SARS-CoV-2 sequence; UNKNOWN ATOM OR ION; GUANOSINE-5'-TRIPHOSPHATE	SPERMIDINE; IRON/SULFUR CLUSTER; GUANOSINE-5'-TRIPHOSPHATE; UNKNOWN ATOM OR ION		-	-	()		2021-04-14	34029205	MG; ZN	-	-	-	N/A	-	-	E-site tRNA; 60S ribosomal protein L27; 60S ribosomal protein L27a; 60S ribosomal protein L29; RACK1; eL30; eL31; eL32; eL33; 60S ribosomal protein L34; uL29; 60S ribosomal protein L36; Ribosomal protein L37; eL38; eL39; uS14; 60S ribosomal protein L40; eL42; eL43; Ribosomal protein eL28; 60S acidic ribosomal protein P0; Ribosomal protein L12; Ribosomal protein; Eukaryotic peptide chain release factor subunit 1; ATP binding cassette subfamily E member 1; mRNA containing SARS-CoV-2 sequence; uL23; eL24; Ribosomal protein L23; Ribosomal protein eL22; eL21; Ribosomal protein L18a; Ribosomal protein eS26; 60S ribosomal protein L19; Ribosomal protein L18; uL22; Ribosomal protein L13a; Ribosomal protein L15; Ribosomal protein L14; Ribosomal protein eL13; Replicase polyprotein 1ab; Ribosomal protein L11; 60S ribosomal protein L10; 40S ribosomal protein S30; 60S ribosomal protein L9; Ribosomal protein eL8; Ribosomal Protein uL30; 60S ribosomal protein L6; Ribosomal_L18_c domain-containing protein; 60S ribosomal protein L4; Ribosomal protein L3; Ribosomal protein uL2; 5.8S rRNA; 5S rRNA; Ribosomal protein S27a; 28S rRNA; 60s ribosomal protein l41; 40S ribosomal protein S25; 40S ribosomal protein S24; 40S ribosomal protein S23; Ribosomal protein S15a; Ribosomal protein eS21; 40S ribosomal protein uS10; Ribosomal protein eS19; 40S ribosomal protein S18; Ribosomal protein S28; 40S ribosomal protein eS17; Ribosomal protein S16; 40S ribosomal protein uS19; 40S ribosomal protein uS11; uS15; 40S ribosomal protein S12; 40S ribosomal protein S11; Ribosomal protein eS10; Ribosomal protein S9 (Predicted); 40S ribosomal protein S8; 40S ribosomal protein S27; 40S ribosomal protein S7; 40S ribosomal protein S6; Ribosomal protein S5; Ribosomal protein eS4; 40S ribosomal protein S3; Ribosomal protein uS5; 40S ribosomal protein S3a; 40S ribosomal protein SA; P-site Leu-tRNA(Leu); Ribosomal protein L26; 18S rRNA	N/A	-		No	-		N/A	N/A	N/A	mRNA containing SARS-CoV-2 sequence	-
7o81	3.10 Å	2021-06-02	Cryo-EM	UNX, SPD	SARS-CoV-2	Ribosome	Functional ligand	N/A	N/A	N/A	mRNA containing SARS-CoV-2 sequence	UNKNOWN ATOM OR ION; SPERMIDINE		-	-	()		2021-04-14	34029205	MG; ZN	-	-	-	N/A	-	-	Ribosomal protein L23; Ribosomal protein uL1; Ribosomal protein L12; 60S acidic ribosomal protein P0; Ribosomal protein eL28; eL43; eL42; 60S ribosomal protein L40; eL39; uS14; eL38; Ribosomal protein L37; 60S ribosomal protein L36; uL29; 60S ribosomal protein L34; eL33; eL32; eL31; eL30; 60S ribosomal protein L29; RACK1; 60S ribosomal protein L27a; 60S ribosomal protein L27; Ribosomal protein L26; uL23; eL24; 40S ribosomal protein S11; Ribosomal protein eS10; Ribosomal protein S9 (Predicted); 40S ribosomal protein S8; 40S ribosomal protein S7; 40S ribosomal protein S27; 40S ribosomal protein S6; Ribosomal protein S5; Ribosomal protein eS4; 40S ribosomal protein S3; Ribosomal protein uS5; 40S ribosomal protein S3a; 40S ribosomal protein SA; EDF1; P-site tRNA(Pro); A-site Met-tRNA(Met); 18S rRNA; Ribosomal protein eL22; eL21; Ribosomal protein L18a; 60S ribosomal protein L19; Ribosomal protein eS26; Ribosomal protein L18; uL22; Ribosomal protein L13a; Ribosomal protein L15; Ribosomal protein L14; Ribosomal protein eL13; Replicase polyprotein 1ab; Ribosomal protein L11; 60S ribosomal protein L10; 60S ribosomal protein L9; mRNA containing SARS-CoV-2 sequence; 40S ribosomal protein S30; Ribosomal protein eL8; Ribosomal Protein uL30; 60S ribosomal protein L6; Ribosomal_L18_c domain-containing protein; 60S ribosomal protein L4; Ribosomal protein L3; Ribosomal protein uL2; 5.8S rRNA; 5S rRNA; 28S rRNA; Ribosomal protein S27a; 60s ribosomal protein l41; 40S ribosomal protein S25; 40S ribosomal protein S24; 40S ribosomal protein S23; Ribosomal protein S15a; Ribosomal protein eS21; 40S ribosomal protein uS10; Ribosomal protein eS19; 40S ribosomal protein S18; 40S ribosomal protein eS17; Ribosomal protein S28; uS9; 40S ribosomal protein uS19; 40S ribosomal protein uS11; uS15; 40S ribosomal protein S12	N/A	-		No	-		N/A	N/A	N/A	mRNA containing SARS-CoV-2 sequence	-
5sa4	2.05 Å	2021-06-09	X-ray	K3A	SARS-CoV-2	NSP15	PanDDA fragment screening	20.40%	22.52%	19.70%	N-(5-methyl-1H-pyrazol-3-yl)acetamide	N-(5-methyl-1H-pyrazol-3-yl)acetamide	XDS	99.60%	6.4	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	67.5	-		No	-		60.0	70.3	80.0		-
5sa5	2.09 Å	2021-06-09	X-ray	ZQA	SARS-CoV-2	NSP15	PanDDA fragment screening	17.86%	21.91%	25.70%	4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole	4-ethyl-2-(1H-imidazol-5-yl)-1,3-thiazole	XDS	100.00%	5.4	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	69.7	-		No	-		65.8	85.6	63.7		-
5sa6	2.52 Å	2021-06-09	X-ray	O3G	SARS-CoV-2	NSP15	PanDDA fragment screening	19.69%	22.24%	26.50%	N-benzyl-1-(4-fluorophenyl)methanamine	N-benzyl-1-(4-fluorophenyl)methanamine	XDS	99.90%	5.7	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	29.6	-		No	-		62.8	18.3	54.0		-
5sa7	2.22 Å	2021-06-09	X-ray	WL7	SARS-CoV-2	NSP15	PanDDA fragment screening	19.92%	22.46%	28.30%	4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide	4-amino-N-(2-hydroxyethyl)-N-methylbenzene-1-sulfonamide	XDS	99.10%	5.7	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	63.0	-		No	-		60.7	68.2	71.8		-
5sa8	2.30 Å	2021-06-09	X-ray	JOV	SARS-CoV-2	NSP15	PanDDA fragment screening	19.09%	22.24%	35.90%	3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide	3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide	XDS	100.00%	5.8	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	75.7	-		No	-		62.8	85.6	81.5		-
5sa9	1.92 Å	2021-06-09	X-ray	GWG	SARS-CoV-2	NSP15	PanDDA fragment screening	19.91%	22.31%	19.90%	1-methylindazole-3-carboxamide	1-methylindazole-3-carboxamide	XDS	100.00%	6.3	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	68.1	-		No	-		62.0	66.2	83.3		-
5saa	2.24 Å	2021-06-09	X-ray	ZQD	SARS-CoV-2	NSP15	PanDDA fragment screening	19.20%	22.65%	22.80%	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole	3-[(2S)-1-(methanesulfonyl)pyrrolidin-2-yl]-5-methyl-1,2-oxazole	XDS	100.00%	4.9	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	64.8	-		No	-		58.7	83.2	62.6		-
5sab	2.49 Å	2021-06-09	X-ray	WJD	SARS-CoV-2	NSP15	PanDDA fragment screening	18.56%	23.07%	54.10%	2-methoxy-N-phenylacetamide	2-methoxy-N-phenylacetamide	XDS	99.50%	4.1	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	60.8	-		No	-		54.4	91.9	49.7		-
5sac	2.03 Å	2021-06-09	X-ray	VWG	SARS-CoV-2	NSP15	PanDDA fragment screening	18.69%	21.72%	22.20%	N-hydroxyquinoline-2-carboxamide	N-hydroxyquinoline-2-carboxamide	XDS	100.00%	6.8	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	74.3	-		No	-		67.7	87.7	70.7		-
5sad	1.96 Å	2021-06-09	X-ray	EJW	SARS-CoV-2	NSP15	PanDDA fragment screening	19.70%	22.27%	18.00%	(3-phenyl-1,2-oxazol-5-yl)methylazanium	(3-phenyl-1,2-oxazol-5-yl)methylazanium	XDS	99.90%	7.0	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	61.5	-		No	-		62.5	56.9	78.2		-
5sae	2.12 Å	2021-06-09	X-ray	W3G	SARS-CoV-2	NSP15	PanDDA fragment screening	19.16%	22.30%	23.90%	pyridazin-3(2H)-one	pyridazin-3(2H)-one	XDS	100.00%	5.3	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	57.4	-		No	-		62.1	64.3	62.9		-
5saf	2.11 Å	2021-06-09	X-ray	WOY	SARS-CoV-2	NSP15	PanDDA fragment screening	19.22%	22.19%	31.60%	6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine	6,7-dihydro-5H-pyrrolo[2,3-d]pyrimidine	XDS	100.00%	6.3	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	72.1	-		No	-		63.4	83.2	74.1		-
5sag	1.88 Å	2021-06-09	X-ray	ZQG	SARS-CoV-2	NSP15	PanDDA fragment screening	20.41%	23.00%	14.30%	3-(1H-imidazol-2-yl)propan-1-amine	3-(1H-imidazol-2-yl)propan-1-amine	XDS	100.00%	7.8	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	69.4	-		No	-		54.9	68.2	91.3		-
5sah	2.16 Å	2021-06-09	X-ray	ZQJ	SARS-CoV-2	NSP15	PanDDA fragment screening	24.50%	25.57%	20.40%	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one	2-methyl-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-3(2H)-one	XDS	99.90%	7.8	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	56.8	-		No	-		30.3	76.7	81.2		-
5sai	2.02 Å	2021-06-09	X-ray	ZQM	SARS-CoV-2	NSP15	PanDDA fragment screening	19.52%	22.20%	27.20%	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea	N-{2-[(propan-2-yl)sulfanyl]phenyl}urea	XDS	99.90%	6.0	Diamond (I04-1)	BUSTER	2021-05-19	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	70.5	-		No	-		63.1	87.7	65.9		-
7cyh	3.90 Å	2021-06-09	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2020-09-03	-	-	-	-	-	N/A	-	-	Heavy chain of HB27; Spike glycoprotein; Light chain of HB27	N/A	-		No	-	-	N/A	N/A	N/A		-
7cyp	3.50 Å	2021-06-09	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-04	34676096	-	-	-	-	N/A	-	-	Heavy chain of HB27; SARS-CoV-2 Spike glycoprotein; Light chain of HB27	N/A	-		No	-		N/A	N/A	N/A		-
7djz	2.40 Å	2021-06-09	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	18.32%	22.98%	14.90%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.70%	4.8	SSRF (BL19U1)	PHENIX	2020-11-22	35332252	-	-	-	-	N/A	-	-	MW01 light chain; MW01 heavy chain; Spike protein S1 - Receptor Binding Domain	45.8	-		No	-		55.3	36.5	75.3		-
7dk0	3.20 Å	2021-06-09	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	21.83%	26.48%	11.80%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	5.5	SSRF (BL19U1)	PHENIX	2020-11-22	35332252	-	-	-	-	N/A	-	-	MW05 light chain; Spike protein S1 - Receptor Binding Domain; MW05 heavy chain	48.2	-		No	-		23.2	93.4	55.1		-
7e7x	2.78 Å	2021-06-09	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	24.84%	27.89%	N/A		-	HKL-2000	98.68%	15.17	SSRF (BL17U)	PHENIX	2021-02-28	34021265	-	-	-	-	N/A	-	-	N11 Fab heavy chain; Spike protein S1; N11 Fab Light chain	11.5	-		No	-		14.7	25.3	53.0		-
7e7y	2.41 Å	2021-06-09	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	19.73%	24.14%	N/A		-	HKL-2000	98.05%	11.03	Photon Factory (BL-1A)	PHENIX	2021-02-28	34021265	-	-	-	-	N/A	-	-	BD-623 Fab L; Spike protein S1; BD-623 Fab H	56.7	-		No	-		43.5	78.9	65.5		-
7e86	2.90 Å	2021-06-09	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	19.56%	25.46%	28.80%		-	HKL-2000	100.00%	2.6	NFPSS (BL19U1)	PHENIX	2021-03-01	34021265	-	-	-	-	N/A	-	-	Spike protein S1; BD-508 Fab Light Chain; BD-508 Fab Heavy Chain	53.9	-		No	-		31.2	95.7	55.7		-
7e88	3.14 Å	2021-06-09	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	21.73%	25.48%	7.20%		-	HKL-2000	97.70%	5.7	NFPSS (BL19U1)	PHENIX	2021-03-01	34021265	-	-	-	-	N/A	-	-	BD-515 Fab Light Chain; BD-515 Fab Heavy Chain; Spike protein S1	32.0	-		No	-		31.1	77.5	31.5		-
7e8c	3.16 Å	2021-06-09	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-03-01	34021265	-	-	-	-	N/A	-	-	N9 L; 368-2 L; N9 H; 604 L; 604 H; Spike glycoprotein; 368-2 H	N/A	-		No	-		N/A	N/A	N/A		-
7e8f	3.18 Å	2021-06-09	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-03-01	34021265	-	-	-	-	N/A	-	-	N9 H; Spike protein S1; 368-2 L; 604 H; 604 L; Spike protein S1; 368-2 H; N9 L	N/A	-		No	-		N/A	N/A	N/A		-
7ek6	1.24 Å	2021-06-09	X-ray	-		Spike	Protein-protein complex	17.31%	18.54%	5.80%	Spike protein S2; Spike protein S2	-	XDS	97.10%	35.0	SSRF (BL19U1)	PHENIX	2021-04-04	34057039	-	-	-	-	N/A	-	-	Spike protein S2; Spike protein S2	38.0	-		No	-		90.0	11.8	50.2		-
7eq4	1.25 Å	2021-06-09	X-ray	-	SARS-CoV-2	NSP1	Functional ligand	16.33%	19.72%	N/A		-	iMOSFLM	99.86%	36.33	SSRF (BL17U1)	PHENIX; REFMAC	2021-04-29	34132580	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	65.5	-		No	-		83.5	29.7	92.8		-
7n0i	2.20 Å	2021-06-09	X-ray	-	SARS-CoV-2	Nucleocapsid	Pathogen-host interaction	23.94%	27.14%	8.90%		-	XDS	99.70%	8.1	ALS (5.0.2)	PHENIX	2021-05-25	34381460	MG	-	-	-	N/A	-	-	Nucleoprotein - C-terminal domain; Single-domain antibody E2	15.1	-		No	-		18.7	20.4	63.7		-
7n33	2.50 Å	2021-06-09	Cryo-EM	-	SARS-CoV-2	NSP15	No functional ligands	N/A	N/A	N/A	RNA (5'-R(A)-D((UFT))-R(P*A)-3')	-		-	-	()	phenix.real_space_refine; PHENIX	2021-05-31	34403466	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease; RNA (5'-R(A)-D((UFT))-R(P*A)-3')	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(A)-D((UFT))-R(P*A)-3')	-
7djr	1.45 Å	2021-06-16	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.64%	20.10%	7.70%		-	XDS	96.10%	15.3	APS (21-ID-F)	PHENIX	2020-11-21	34109016	-	-	-	-	N/A	-	-	3C-like proteinase	66.8	-		No	-		81.0	56.0	71.7		-
7exm	1.74 Å	2021-06-16	X-ray	-	SARS-CoV-2	NSP2	No functional ligands	19.55%	22.45%	N/A		-	HKL-3000	93.00%	17.9	SSRF (BL17U)	REFMAC	2021-05-27	34398430	ZN	-	-	-	N/A	-	-	Non-structural protein 2	53.7	-		No	-		59.7	45.8	76.8		-
7my2	2.65 Å	2021-06-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-05-20	34098567	-	-	-	-	N/A	-	-	Nanobody Nb30; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7my3	2.90 Å	2021-06-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-05-20	34098567	-	-	-	-	N/A	-	-	Nanobody Nb12; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n5z	1.76 Å	2021-06-16	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	15.55%	19.69%	5.30%		-	XDS	95.90%	12.8	LNLS SIRUS (MANACA)	PHENIX	2021-06-07	34174328	-	-	-	-	N/A	-	-	3C-like proteinase	82.2	-		No	-		83.8	88.7	78.2		-
7n6n	2.80 Å	2021-06-16	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	19.92%	25.54%	27.90%		-	XDS	99.60%	3.3	LNLS SIRUS (MANACA)	PHENIX	2021-06-08	34174328	-	-	-	-	N/A	-	-	3C-like proteinase - UNP residues 3259-3569; 3C-like proteinase - N-terminal domain (UNP residues 3259-3263)	36.1	-		No	-		30.4	78.9	39.1		-
7nt1	2.85 Å	2021-06-16	X-ray	UQW	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.41%	27.84%	18.10%	[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate	[(2R)-1-[2-(1H-indol-3-yl)ethylamino]-1-oxidanylidene-butan-2-yl] prop-2-enoate	Aimless	98.90%	6.3	SLS (X06SA)	REFMAC; REFMAC	2021-03-08	34097796	-	-	-	-	N/A	-	-	3C-like proteinase	35.6	-		No	-		14.9	86.1	46.2		-
7nt2	2.15 Å	2021-06-16	X-ray	URK	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.19%	25.14%	13.20%	[(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate	[(1S)-2-[(2,3-dimethoxyphenyl)methylamino]-1-(4-nitrophenyl)-2-oxidanylidene-ethyl] prop-2-enoate	Aimless	98.10%	9.8	SLS (X06SA)	REFMAC; REFMAC	2021-03-08	34097796	-	-	-	-	N/A	-	-	3C-like proteinase	34.6	-		No	-		33.9	59.8	51.5		-
7nt3	2.33 Å	2021-06-16	X-ray	UQZ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.63%	27.09%	16.50%	~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide	~{N}-[(1~{S})-2-(1,3-benzodioxol-5-ylmethylamino)-1-(3-hydroxyphenyl)-2-oxidanylidene-ethyl]-~{N}-propyl-prop-2-enamide	Aimless	99.80%	9.3	SLS (X06SA)	REFMAC	2021-03-08	34097796	-	-	-	-	N/A	-	-	3C-like proteinase	33.8	-		No	-		19.1	78.5	46.0		-
7ntv	2.06 Å	2021-06-16	X-ray	US8	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.49%	22.75%	15.80%	2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide	2-acetamido-N-cyclopropyl-5-phenyl-thiophene-3-carboxamide	XDS	99.82%	11.0	SLS (X06SA)	REFMAC	2021-03-10	34097796	-	-	-	-	N/A	-	-	3C-like proteinase	58.7	-		No	-		57.6	59.8	74.4		-
7nuk	2.19 Å	2021-06-16	X-ray	USH	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.55%	26.08%	25.40%	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide	2-[2-chloranylethanoyl(propyl)amino]-~{N}-(2-methoxyphenyl)ethanamide	XDS	99.30%	9.6	SLS (X06SA)	REFMAC	2021-03-12	34097796	-	-	-	-	N/A	-	-	3C-like proteinase	38.5	-		No	-		26.1	60.1	66.8		-
7cut	1.82 Å	2021-06-23	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.23%	22.32%	N/A	Z-VAD(OMe)-FMK	-	XDS	97.00%	14.0	SSRF (BL17U1)	PHENIX	2020-08-24	34075025	-	-	-	-	N/A	-	-	Z-VAD(OMe)-FMK; 3C protein	48.8	-		No	-		61.9	55.8	55.1		-
7cuu	1.68 Å	2021-06-23	X-ray	ALD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.46%	19.63%	N/A	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	XDS	95.80%	6.1	SSRF (BL19U1)	PHENIX	2020-08-24	34075025	-	-	-	-	N/A	-	-	3C protein	68.5	-		No	-		84.1	60.2	68.2		-
7cwt	3.70 Å	2021-06-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2020-08-31	33262454	-	-	-	-	N/A	-	-	Light chain Fab of FC05; Spike glycoprotein; Light chain Fab of HB27; Heavy chain Fab of HB27; Heavy chain Fab of FC05	N/A	-		No	-		N/A	N/A	N/A		-
7e18	1.65 Å	2021-06-23	X-ray	HUR	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.40%	19.92%	5.20%	N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	XDS	99.30%	20.8	Photon Factory (BL-17A)	PHENIX	2021-02-01	34313428	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	68.6	-		No	-		82.2	37.2	93.3		-
7e19	2.15 Å	2021-06-23	X-ray	HUO	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.13%	23.46%	23.10%	(phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate	(phenylmethyl) N-[(2S)-1-[[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate	XDS	100.00%	12.63	Photon Factory (BL-17A)	PHENIX	2021-02-01	34313428	-	-	-	-	N/A	-	-	3C-like proteinase	69.6	-		No	-		50.4	73.6	90.6		-
7e5y	3.59 Å	2021-06-23	X-ray	-	SARS-CoV-2	Spike	No functional ligands	23.17%	27.65%	15.00%		-	xia2	99.90%	10.9	SSRF (BL17U1)	PHENIX	2021-02-21	34315862	-	-	-	-	N/A	-	-	Spike protein S1; 2B11 Fab Heavy chain; 2B11 Fab Light chain	25.3	-		No	-		15.9	93.3	17.0		-
7eaz	3.50 Å	2021-06-23	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-08	34563540	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7eb0	3.60 Å	2021-06-23	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-08	34563540	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7eb3	3.60 Å	2021-06-23	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-08	34563540	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7eb4	3.50 Å	2021-06-23	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-08	34563540	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7eb5	3.40 Å	2021-06-23	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-08	34563540	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ej4	3.60 Å	2021-06-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-04-01	-	-	-	-	-	N/A	-	-	RBD-chAb-25, Heavy chain; Spike glycoprotein; RBD-chAb-25, Light chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7ej5	3.50 Å	2021-06-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-04-01	-	-	-	-	-	N/A	-	-	RBD-chAb45, Light chain; Spike glycoprotein; RBD-chAb45, Heavy chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7mgr	1.94 Å	2021-06-23	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	19.33%	22.86%	8.50%	ALA-VAL-LYS-LEU-GLN-ASN-ASN-GLU	-	XDS	97.20%	8.13	APS (24-ID-C)	PHENIX	2021-04-13	34437808	-	-	-	-	N/A	-	-	ALA-VAL-LYS-LEU-GLN-ASN-ASN-GLU; 3C-like proteinase	62.8	-		No	-		56.5	79.0	64.8		-
7mgs	1.84 Å	2021-06-23	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	19.34%	22.73%	6.30%	SER-ALA-VAL-LEU-GLN-SER-GLY-PHE	-	XDS	92.50%	9.8	APS (24-ID-C)	PHENIX	2021-04-13	34437808	-	-	-	-	N/A	-	-	3C-like proteinase; SER-ALA-VAL-LEU-GLN-SER-GLY-PHE	62.8	-		No	-		57.8	60.8	81.6		-
7n89	2.00 Å	2021-06-23	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.06%	21.80%	10.30%	ACE-SER-ALA-VAL-LEU-GLN-SER-GLY-PHE-NH2	-	CrysalisPro	93.60%	8.2	ROTATING ANODE ()	PHENIX	2021-06-14	34804549	-	-	-	-	N/A	-	-	3C-like proteinase; ACE-SER-ALA-VAL-LEU-GLN-SER-GLY-PHE-NH2	72.1	-		No	-		66.9	67.4	86.3		-
7n8c	2.20 Å	2021-06-23	X-ray/N-diffr.	YD1, DOD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.70%	19.20%	10.70%	6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione	6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione; water	Mantid; CrysalisPro	96.30%	15.6	ROTATING ANODE, SPALLATION SOURCE ()	nCNS	2021-06-14	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	N/A	-		No	-		N/A	N/A	N/A		-
7nh7	2.20 Å	2021-06-23	X-ray	SFG		NSP10/NSP16	Functional ligand	16.42%	21.12%	13.05%	SINEFUNGIN	SINEFUNGIN	XDS	99.74%	11.66	ROTATING ANODE ()	PHENIX; PHENIX	2021-02-10	-	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1a; Replicase polyprotein 1ab	57.4	-		No	-	-	73.0	69.4	46.9		-
7dk1	1.90 Å	2021-06-30	X-ray	BTB	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	18.96%	20.94%	8.70%	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL		100.00%	2.69	ELETTRA (11.2C)	BUSTER	2020-11-22	34514483	ZN	-	-	-	N/A	-	-	3C-like proteinase	81.1	-		No	-		74.6	81.0	91.0		-
7l4z	3.96 Å	2021-06-30	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	25.66%	28.16%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; ACE-DTY-LYS-ALA-GLY-VAL-VAL-TYR-GLY-TYR-ASN-ALA-TRP-ILE-ARG-CYS-NH2	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.60%	7.0	Australian Synchrotron (MX2)	PHENIX	2020-12-21	34230894	-	-	-	-	N/A	-	-	ACE-DTY-LYS-ALA-GLY-VAL-VAL-TYR-GLY-TYR-ASN-ALA-TRP-ILE-ARG-CYS-NH2; Spike protein S1 - Receptor-binding domain (RBD)	19.0	-		No	-		13.4	53.4	45.3		-
7m8m	1.78 Å	2021-06-30	X-ray	YSG	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.56%	23.43%	N/A	5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione	5-[3-(3-chloro-5-propoxyphenyl)-2-oxo-2H-[1,3'-bipyridin]-5-yl]pyrimidine-2,4(1H,3H)-dione	XDS	99.60%	14.6	APS (24-ID-E)	PHENIX	2021-03-30	34161756	-	-	-	-	N/A	-	-	3C-like proteinase	25.0	-		No	-		50.7	34.8	40.1		-
7m8n	1.96 Å	2021-06-30	X-ray	YSP	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.67%	22.94%	N/A	5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	5-(3-{3-chloro-5-[(2-methylphenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	XDS	98.30%	6.24	NSLS-II (17-ID-1)	PHENIX	2021-03-30	34161756	-	-	-	-	N/A	-	-	3C-like proteinase	27.2	-		No	-		55.6	39.5	34.8		-
7m8o	2.44 Å	2021-06-30	X-ray	YSM	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.14%	28.80%	N/A	5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	5-(3-{3-chloro-5-[(3-fluorophenyl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	XDS	99.50%	11.93	NSLS-II (17-ID-1)	PHENIX	2021-03-30	34161756	-	-	-	-	N/A	-	-	3C-like proteinase	14.7	-		No	-		10.6	65.6	25.6		-
7m8p	2.23 Å	2021-06-30	X-ray	YSJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.48%	23.14%	N/A	5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	5-(3-{3-chloro-5-[(2-chlorophenyl)methoxy]-4-fluorophenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	XDS	97.90%	10.52	APS (24-ID-E)	PHENIX	2021-03-30	34161756	-	-	-	-	N/A	-	-	3C-like proteinase	55.0	-		No	-		53.6	86.0	45.0		-
7m8x	1.74 Å	2021-06-30	X-ray	YTJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.93%	27.34%	N/A	2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile	2-{3-[3-chloro-5-(2-methoxyethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}benzonitrile	XDS	98.00%	9.88	APS (24-ID-E)	PHENIX	2021-03-30	34161756	-	-	-	-	N/A	-	-	3C-like proteinase	11.5	-		No	-		17.6	26.0	49.6		-
7m8y	1.75 Å	2021-06-30	X-ray	YTM	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.50%	22.78%	N/A	5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione	5-{3-[3-chloro-5-(2-phenylethoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione	XDS	96.30%	8.07	APS (24-ID-E)	PHENIX	2021-03-30	34161756	-	-	-	-	N/A	-	-	3C-like proteinase	40.7	-		No	-		57.4	60.1	39.8		-
7m8z	1.79 Å	2021-06-30	X-ray	YTV	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.77%	24.03%	N/A		5-{3-[3-chloro-5-(3-hydroxy-3-methylbutoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione	XDS	97.10%	7.87	APS (24-ID-E)	PHENIX	2021-03-30	34161756	-	-	-	-	N/A	-	-	3C-like proteinase	23.2	-		No	-		44.5	32.2	44.9		-
7m90	2.19 Å	2021-06-30	X-ray	YTS	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.64%	27.26%	N/A	5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	5-(3-{3-chloro-5-[2-(3-oxopiperazin-1-yl)ethoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	XDS	97.10%	4.83	NSLS-II (17-ID-1)	PHENIX	2021-03-30	34161756	-	-	-	-	N/A	-	-	3C-like proteinase	11.0	-		No	-		18.1	30.3	43.2		-
7m91	1.95 Å	2021-06-30	X-ray	YU4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.81%	23.28%	N/A	5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione	5-{3-[3-chloro-5-(3,3,3-trifluoropropoxy)phenyl]-2-oxo-2H-[1,3'-bipyridin]-5-yl}pyrimidine-2,4(1H,3H)-dione	XDS	96.90%	10.85	APS (24-ID-E)	PHENIX	2021-03-30	34161756	-	-	-	-	N/A	-	-	3C-like proteinase	28.4	-		No	-		52.3	26.3	53.9		-
7aeg	1.70 Å	2021-07-07	X-ray	F2G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.78%	20.04%	22.40%	3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-METHYL)-AMINO]-1-HYDROXY-3-METHYL-BUTYLAMINO}-1-HYDROXY-PROPYLAMINO)-PENTANE-1,1,4-TRIOL	3-(2-{2-[(CYCLOHEXYLMETHOXY-HYDRO-METHYL)-AMINO]-1-HYDROXY-3-METHYL-BUTYLAMINO}-1-HYDROXY-PROPYLAMINO)-PENTANE-1,1,4-TRIOL	xia2; DIALS	99.90%	7.6	Diamond (I24)	REFMAC	2020-09-17	34168183	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	78.2	-		No	-		80.2	68.7	88.0		-
7aeh	1.30 Å	2021-07-07	X-ray	R8H	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	14.04%	17.56%	19.90%	(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide	(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide	xia2; DIALS	97.20%	10.7	Diamond (I04-1)	REFMAC	2020-09-17	34168183	-	-	-	-	N/A	-	-	2'-O-methyltransferase	74.4	-		No	-		94.2	52.2	80.0		-
7ein	1.70 Å	2021-07-07	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.50%	26.02%	6.30%	leupeptin	-	HKL-2000	100.00%	29.9	SSRF (BL17U)	PHENIX; PHENIX	2021-03-31	34579576	-	-	-	-	N/A	-	-	3C-like proteinase; leupeptin	29.4	-		No	-		26.4	38.3	70.1		-
7k0e	1.90 Å	2021-07-07	X-ray	K36, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.09%	23.02%	7.40%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	98.60%	8.8	APS (17-ID)	PHENIX	2020-09-04	34210738	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	75.6	-		No	-		54.8	88.4	86.2		-
7k0g	1.85 Å	2021-07-07	X-ray	B1S, K36	SARS-CoV	NSP5 (3CLpro)	Functional ligand	19.17%	23.95%	7.60%	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	100.00%	13.7	APS (17-ID)	PHENIX	2020-09-04	34210738	-	-	-	-	N/A	-	-	Replicase polyprotein 1a	54.5	-		No	-		45.4	59.0	79.2		-
7k0h	1.70 Å	2021-07-07	X-ray	VR4, PG4	SARS-CoV	NSP5 (3CLpro)	Functional ligand	17.43%	21.00%	6.70%	N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide	N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-N~2~-[(benzyloxy)carbonyl]-L-leucinamide; TETRAETHYLENE GLYCOL	XDS	99.90%	10.5	APS (17-ID)	PHENIX	2020-09-04	34210738	-	-	-	-	N/A	-	-	Replicase polyprotein 1a - Full Length	78.1	-		No	-		74.0	80.8	81.9		-
7lco	1.90 Å	2021-07-07	X-ray	XTJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.81%	24.91%	N/A	(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate	(3-fluorophenyl)methyl [(2S)-3-cyclopropyl-1-oxo-1-({(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)propan-2-yl]carbamate	XDS	95.76%	22.66	CLSI (08B1-1)	PHENIX	2021-01-11	34118724	-	-	-	-	N/A	-	-	3C-like proteinase	26.8	-		No	-		36.0	40.0	53.3		-
7lcs	1.85 Å	2021-07-07	X-ray	XTP	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.38%	25.50%	N/A	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate	XDS	96.41%	12.16	SSRL (BL12-2)	PHENIX	2021-01-11	34118724	-	-	-	-	N/A	-	-	3C-like proteinase	43.8	-		No	-		30.7	78.7	53.9		-
7lct	1.93 Å	2021-07-07	X-ray	XU4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.00%	23.32%	N/A	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide	N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[(1S)-1-phenylethoxy]carbonyl}-L-leucinamide	XDS	99.34%	9.34	SSRL (BL12-2)	PHENIX	2021-01-11	34118724	-	-	-	-	N/A	-	-	3C-like proteinase	44.9	-		No	-		51.8	45.7	67.8		-
7ldl	2.00 Å	2021-07-07	X-ray	XV4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.68%	26.11%	N/A	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	XDS	94.04%	7.99	CLSI (08B1-1)	PHENIX	2021-01-13	34118724	-	-	-	-	N/A	-	-	3C-like proteinase	11.3	-		No	-		25.7	12.7	54.0		-
7n1q	3.44 Å	2021-07-07	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	42.23%	42.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-28	34168070	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n1t	3.44 Å	2021-07-07	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	42.23%	42.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-28	34168070	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n1u	3.14 Å	2021-07-07	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-28	34168070	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n1v	3.50 Å	2021-07-07	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	43.51%	43.66%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-28	34168070	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n1w	3.33 Å	2021-07-07	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-28	34168070	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n1x	4.00 Å	2021-07-07	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-28	34168070	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n1y	4.30 Å	2021-07-07	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-28	34168070	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n3c	1.82 Å	2021-07-07	X-ray	IOD, PO4	SARS-CoV-2	Nucleocapsid	Pathogen-host interaction	17.94%	20.97%	17.20%	PHOSPHATE ION; IODIDE ION	IODIDE ION; PHOSPHATE ION	HKL-3000	99.50%	14.1	APS (19-ID)	PHENIX	2021-05-31	-	-	-	-	-	N/A	-	-	S24-202 Fab heavy chain; S24-202 Fab light chain; Nucleoprotein - CoV N NTD domain, residues 47-173	58.4	-		No	-	-	74.4	46.3	70.6		-
7n3d	1.53 Å	2021-07-07	X-ray	-	SARS-CoV-2	Nucleocapsid	Pathogen-host interaction	15.72%	19.02%	11.40%		-	HKL-3000	95.90%	22.0	APS (19-ID)	PHENIX	2021-05-31	-	-	-	-	-	N/A	-	-	S24-1564 Fab light chain; Nucleoprotein - CoV N NTD domain, residues 47-173; S24-1564 Fab heavy chain	76.4	-		No	-	-	87.6	65.6	78.4		-
7nw2	2.10 Å	2021-07-07	X-ray	USZ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.23%	22.36%	8.40%	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide	~{N}-(4-~{tert}-butylphenyl)-~{N}-[(1~{R})-2-[2-(3-fluorophenyl)ethylamino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]propanamide	XDS	95.10%	14.7	Diamond (I04-1)	BUSTER; REFMAC	2021-03-16	34174194	-	-	-	-	N/A	-	-	3C-like proteinase	63.0	-		No	-		61.6	68.5	70.5		-
7or9	2.34 Å	2021-07-07	X-ray	PG4	SARS-CoV-2	Spike	Pathogen-host interaction	19.35%	22.96%	10.00%		TETRAETHYLENE GLYCOL	xia2	86.20%	16.8	Diamond (I03)	PHENIX	2021-06-04	34242578	-	-	-	-	N/A	-	-	COVOX-278 Fab light chain; COVOX-222 Fab heavy chain; Spike protein S1; COVOX-222 Fab light chain; COVOX-278 Fab heavy chain	63.9	-		No	-		55.5	68.5	78.6		-
7ora	2.60 Å	2021-07-07	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	20.40%	24.48%	24.60%		-	xia2	90.50%	7.3	Diamond (I03)	PHENIX	2021-06-04	34242578	-	-	-	-	N/A	-	-	COVOX-45 Fab light chain; Spike protein S1; COVOX-45 Fab heavy chain; COVOX-253 Fab heavy chain; COVOX-253 Fab light chain	30.1	-		No	-		40.4	18.7	77.0		-
7orb	2.50 Å	2021-07-07	X-ray	TRS, BTB, PO4	SARS-CoV-2	Spike	Pathogen-host interaction	21.28%	25.13%	30.00%	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; PHOSPHATE ION; 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; PHOSPHATE ION	xia2	99.80%	5.6	Diamond (I03)	PHENIX	2021-06-04	34242578	-	-	-	-	N/A	-	-	Spike protein S1; COVOX-253 Fab heavy chain; COVOX-253 Fab light chain; COVOX-75 Fab heavy chain; COVOX-75 Fab light chain	41.0	-		No	-		34.0	57.8	66.0		-
7r98	2.51 Å	2021-07-07	X-ray	-	SARS-CoV-2	Nucleocapsid	Pathogen-host interaction	22.64%	27.32%	21.40%		-	XDS	100.00%	9.7	APS (24-ID-C)	PHENIX	2021-06-28	34381460	-	-	-	-	N/A	-	-	Nucleoprotein - RNA-binding domain; Nanobody B6	10.1	-		No	-		17.7	22.2	48.9		-
7lrs	3.89 Å	2021-07-14	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-02-17	34210892	-	-	-	-	N/A	-	-	antibody A23-58.1 light chain; antibody A23-58.1 heavy chain; Spike glycoprotein - receptor binding domain (UNP residues 332-527)	N/A	-		No	-		N/A	N/A	N/A		-
7lrt	3.54 Å	2021-07-14	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-02-17	34210892	-	-	-	-	N/A	-	-	SARS-CoV-2 spike glycoprotein; antibody A23-58.1 light chain - Fab; antibody A23-58.1 heavy chain - Fab	N/A	-		No	-		N/A	N/A	N/A		-
7n8h	2.30 Å	2021-07-14	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-06-14	34210893	-	-	-	-	N/A	-	-	S2M11 Fab Heavy Chain variable region; S2L20 Fab Heavy Chain variable region; Spike glycoprotein; S2M11 Fab Light Chain variable region; S2L20 Fab Light Chain variable region	N/A	-		No	-		N/A	N/A	N/A		-
7n8i	3.00 Å	2021-07-14	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-06-14	34210893	-	-	-	-	N/A	-	-	Spike glycoprotein; S2L20 Fab Light Chain Variable Region; S2L20 Fab Heavy Chain Variable Region	N/A	-		No	-		N/A	N/A	N/A		-
7rb0	2.98 Å	2021-07-14	Cryo-EM	-	SARS-CoV-2	NSP15	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-07-05	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	N/A	-		No	-		N/A	N/A	N/A		-
7rb2	3.27 Å	2021-07-14	Cryo-EM	-	SARS-CoV-2	NSP15	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-07-05	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	N/A	-		No	-		N/A	N/A	N/A		-
7bwq	2.95 Å	2021-07-21	X-ray	-	SARS-CoV-2	NSP9	No functional ligands	21.28%	29.89%	22.10%		-	HKL-2000	100.00%	6.4	SSRF (BL18U1)	PHENIX	2020-04-15	35006420	-	-	-	-	N/A	-	-	Nsp9	4.6	-		No	-		7.5	46.1	14.4		-
7egq	3.35 Å	2021-07-21	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP9/NSP10/NSP12/NSP13/NSP14	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-03-25	34143953	MG; ZN	-	-	-	N/A	-	-	Template RNA; primer RNA; Proofreading exoribonuclease - UNP residues 5926-6452; Non-structural protein 10; Non-structural protein 9 - UNP residues 4141-4253; Helicase - UNP residues 5325-5925; Non-structural protein 7; Non-structural protein 8 - UNP residues 3943-4140; RNA-directed RNA polymerase - UNP residues 4393-5324	N/A	-		No	-		N/A	N/A	N/A		-
7fay	2.10 Å	2021-07-21	X-ray	2XI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.29%	23.36%	7.60%	(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide	(2~{R})-~{N}-[(1~{R})-2-(~{tert}-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-~{N}-(4-~{tert}-butylphenyl)-2-oxidanyl-propanamide	XDS	99.60%	11.9	SSRF (BL19U1)	BUSTER	2021-07-08	35477751	-	-	-	-	N/A	-	-	3C-like proteinase	45.9	-		No	-		51.5	39.4	76.2		-
7faz	2.10 Å	2021-07-21	X-ray	2RI, NA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.03%	24.28%	11.80%	SODIUM ION; (2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide	(2~{R})-~{N}-dibenzofuran-3-yl-~{N}-[(1~{R})-2-[[(1~{S})-1-(4-fluorophenyl)ethyl]amino]-2-oxidanylidene-1-pyridin-3-yl-ethyl]-2-oxidanyl-propanamide; SODIUM ION	XDS	99.80%	9.4	SSRF (BL19U1)	PHENIX	2021-07-08	35477751	-	-	-	-	N/A	-	-	3C-like proteinase	42.4	-		No	-		42.3	45.3	72.9		-
7kri	1.58 Å	2021-07-21	X-ray	X0Y, MLI	SARS-CoV-2	NSP9	Functional ligand	17.77%	19.53%	N/A	1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione; MALONATE ION	1,3-dimethyl-1H-pyrrolo[3,4-d]pyrimidine-2,4(3H,6H)-dione; MALONATE ION	HKL-2000	100.00%	13.4	Australian Synchrotron (MX2)	PHENIX	2020-11-20	34331944	-	-	-	-	N/A	-	-	Non-structural protein 9	51.0	-		No	-		84.8	18.8	73.4		-
7mbi	2.15 Å	2021-07-21	X-ray	YWJ, FN7	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.41%	26.07%	N/A	4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide; 2,4,6-trimethylpyridine-3-carboxylic acid	4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-3-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide; 2,4,6-trimethylpyridine-3-carboxylic acid	XDS	99.69%	13.73	SSRL (BL12-1)	PHENIX	2021-03-31	34242027	-	-	-	-	N/A	-	-	3C-like proteinase	19.5	-		No	-		26.1	46.4	40.7		-
7n44	1.94 Å	2021-07-21	X-ray	06I	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.64%	21.85%	N/A	5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione	XDS	96.73%	12.79	APS (24-ID-E)	PHENIX	2021-06-03	34408808	-	-	-	-	N/A	-	-	3C-like proteinase	69.3	-		No	-		66.5	83.2	64.4		-
7p35	2.26 Å	2021-07-21	X-ray	AG7	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.00%	25.81%	N/A		4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER	XDS	84.40%	9.6	ALBA (XALOC)	REFMAC	2021-07-07	36336176	-	-	-	-	N/A	-	-	3C-like proteinase	37.1	-		No	-		28.1	73.6	48.6		-
7r6w	1.83 Å	2021-07-21	X-ray	POL	SARS-CoV-2	Spike	Pathogen-host interaction	21.13%	23.16%	8.50%	N-PROPANOL	N-PROPANOL	XDS	99.60%	16.2	SSRL (BL9-2)	REFMAC	2021-06-23	34261126	-	-	-	-	N/A	-	-	Heavy Chain of Fab domain of monoclonal antibody S309; Spike protein S1 - receptor-binding domain (UNP reisdues 328-531); Heavy Chain of Fab domain of monoclonal antibody S2X35; Light Chain of Fab domain of monoclonal antibody S2X35; Light Chain of Fab domain of monoclonal antibody S309	69.4	-		No	-		53.5	66.4	94.4		-
7r6x	2.95 Å	2021-07-21	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	23.23%	26.24%	29.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	13.3	ALS (4.2.2)	REFMAC	2021-06-23	34261126	-	-	-	-	N/A	-	-	Spike protein S1 - receptor-binding domain (UNP residues 328-531); Monoclonal antibody S309 Fab heavy chain; Monoclonal antibody S309 Fab light chain; Monoclonal antibody S2E12 Fab heavy chain; Monoclonal antibody S2E12 Fab light chain; Monoclonal antibody S304 Fab light chain; Monoclonal antibody S304 Fab heavy chain	6.9	-		No	-		24.9	15.1	37.8		-
7r7n	3.95 Å	2021-07-21	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-06-25	34261126	-	-	-	-	N/A	-	-	Spike glycoprotein; S2D106 FAB light chain; S2D106 FAB heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7m42	3.30 Å	2021-07-28	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX; phenix.real_space_refine	2021-03-19	34161776	-	-	-	-	N/A	-	-	REGN10989 antibody Fab fragment heavy chain; REGN10985 antibody Fab fragment heavy chain; REGN10985 antibody Fab fragment light chain; Spike protein S1 - receptor binding domain (UNP residues 319-541); REGN10989 antibody Fab fragment light chain	N/A	-		No	-		N/A	N/A	N/A		-
7mlz	3.71 Å	2021-07-28	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-04-29	34210892	-	-	-	-	N/A	-	-	B1-182.1 Fab heavy chain; Spike protein S1 - Receptor binding domain, UNP residues 331-527; B1-182.1 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7mm0	3.15 Å	2021-07-28	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-04-29	34210892	-	-	-	-	N/A	-	-	Spike glycoprotein; B1-182.1 Fab light chain; B1-182.1 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7n0b	3.90 Å	2021-07-28	Cryo-EM	CA	SARS-CoV-2	NSP10/NSP14	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(APGPAPAPGPCPUPAPUPUPAPAPAPAPUPCPAPCPC)-3'); CALCIUM ION; RNA (5'-R(APUPGPUPGPAPUPUPUPUPAPAPUPAPGPCPUPUPCP*U)-3')	CALCIUM ION		-	-	()	PHENIX	2021-05-25	34315827	CA; ZN	-	-	-	N/A	-	-	Non-structural protein 10 - UNP residues 4254-4392; RNA (5'-R(APGPAPAPGPCPUPAPUPUPAPAPAPAPUPCPAPCPC)-3'); RNA (5'-R(APUPGPUPGPAPUPUPUPUPAPAPUPAPGPCPUPUPCP*U)-3'); Proofreading exoribonuclease - UNP residues 5926-6452	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(APGPAPAPGPCPUPAPUPUPAPAPAPAPUPCPAPCPC)-3'); RNA (5'-R(APUPGPUPGPAPUPUPUPUPAPAPUPAPGPCPUPUPCP*U)-3')	-
7n0c	3.40 Å	2021-07-28	Cryo-EM	-	SARS-CoV-2	NSP10/NSP14	Protein-protein complex	N/A	N/A	N/A	RNA (25-MER); RNA (24-MER)	-		-	-	()	PHENIX	2021-05-25	34315827	ZN; MG	-	-	-	N/A	-	-	Non-structural protein 10 - UNP residues 4254-4392; RNA (24-MER); RNA (25-MER); Proofreading exoribonuclease - UNP residues 5926-6452	N/A	-		No	-		N/A	N/A	N/A	RNA (25-MER); RNA (24-MER)	-
7n0d	2.50 Å	2021-07-28	Cryo-EM	1N7	SARS-CoV-2	NSP10/NSP14	Protein-protein complex	N/A	N/A	N/A	RNA (5'-R(GPGPGPGPAPUPGPUPGPAPUPUPUPUPAPAPUPAPG)-3'); CHAPSO; RNA (5'-R(CPCPCPCPC)-3'); RNA (5'-R(CPUPAPUPUPAPAPAPAPUPCPAPCPC)-3')	CHAPSO		-	-	()	PHENIX	2021-05-25	34315827	ZN; MG	-	-	-	N/A	-	-	RNA (5'-R(CPCPCPCPC)-3'); Non-structural protein 10 - UNP residues 4254-4392; Proofreading exoribonuclease - UNP residues 5926-6452; RNA (5'-R(GPGPGPGPAPUPGPUPGPAPUPUPUPUPAPAPUPAPG)-3'); RNA (5'-R(CPUPAPUPUPAPAPAPAPUPCPAPCPC)-3')	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(GPGPGPGPAPUPGPUPGPAPUPUPUPUPAPAPUPAPG)-3'); RNA (5'-R(CPCPCPCPC)-3'); RNA (5'-R(CPUPAPUPUPAPAPAPAPUPCPAPCPC)-3')	-
7f62	3.60 Å	2021-08-04	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-06-24	34673836	-	-	-	-	N/A	-	-	RBD-chAb-25, Light chain; RBD-chAb-25, Heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7f63	3.90 Å	2021-08-04	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-06-24	34673836	-	-	-	-	N/A	-	-	RBD-chAb45, Heavy chain; Spike glycoprotein; RBD-chAb45, Light chain	N/A	-		No	-		N/A	N/A	N/A		-
7km5	3.19 Å	2021-08-04	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	24.68%	29.41%	14.50%		-	XDS	98.30%	8.2	APS (24-ID-E)	PHENIX	2020-11-02	34338634	-	-	-	-	N/A	-	-	Spike protein S1 - receptor-binding domain; nanobody	20.7	-		No	-		8.7	56.6	50.7		-
7n3i	2.03 Å	2021-08-04	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	17.90%	20.82%	9.70%		2-acetamido-2-deoxy-beta-D-glucopyranose	MOSFLM	96.00%	6.8	SSRL (BL12-2)	PHENIX	2021-06-01	34331873	-	-	-	-	N/A	-	-	C098 Fab heavy chain; Spike protein S1 - Receptor Binding Domain; C098 Fab light chain	52.1	-		No	-		75.5	27.1	76.5		-
7n62	4.00 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-06-07	33758863	-	-	-	-	N/A	-	-	C12C9 Fab light chain; C12C9 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7n64	4.20 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-06-07	33758863	-	-	-	-	N/A	-	-	G32R7 Fab heavy chain; Spike glycoprotein; G32R7 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7n9a	3.50 Å	2021-08-04	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-06-17	-	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor Binding Domain; Nanobody Nb21	N/A	-		No	-	-	N/A	N/A	N/A		-
7n9b	3.80 Å	2021-08-04	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-06-17	-	-	-	-	-	N/A	-	-	NB21 Nanobody; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7n9c	3.71 Å	2021-08-04	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-06-17	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Nanobody NB95	N/A	-		No	-	-	N/A	N/A	N/A		-
7n9e	3.52 Å	2021-08-04	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-06-17	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Nb34 nanobody	N/A	-		No	-	-	N/A	N/A	N/A		-
7p77	2.98 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-19	35253970	-	-	-	-	N/A	-	-	sybody#68; Spike glycoprotein; sybody#15	N/A	-		No	-		N/A	N/A	N/A		-
7p78	3.32 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-19	35253970	-	-	-	-	N/A	-	-	sybody#68; Spike glycoprotein; sybody#15	N/A	-		No	-		N/A	N/A	N/A		-
7p79	4.00 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-19	35253970	-	-	-	-	N/A	-	-	sybody#15; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7p7a	4.76 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-19	35253970	-	-	-	-	N/A	-	-	sybody#68; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7p7b	3.13 Å	2021-08-04	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-07-19	35253970	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r8l	2.60 Å	2021-08-04	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	17.97%	22.86%	25.70%	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	-	XDS	100.00%	8.9	SSRL (BL12-2)	PHENIX	2021-06-26	34331873	-	-	-	-	N/A	-	-	CR3022 Fab light chain; C099 Fab Heavy Chain; C099 Fab Light Chain; Spike protein S1; CR3022 Fab heavy chain	56.3	-		No	-		56.5	81.4	49.3		-
7r8m	3.40 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-06-26	34331873	-	-	-	-	N/A	-	-	Spike glycoprotein; C032 Fab Heavy Chain; C032 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7r8n	3.55 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-06-26	34331873	-	-	-	-	N/A	-	-	C051 Fab Heavy Chain; C051 Fab Light Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r8o	3.50 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-06-26	34331873	-	-	-	-	N/A	-	-	Spike glycoprotein; C548 Fab Light Chain; C548 Fab Heavy Chain	N/A	-		No	-		N/A	N/A	N/A		-
7ra8	3.10 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-06-30	34280951	-	-	-	-	N/A	-	-	Spike glycoprotein; Light chain Fab S2X259 Fab variable domain; Heavy chain Fab S2X259 Fab variable domain	N/A	-		No	-		N/A	N/A	N/A		-
7ral	3.20 Å	2021-08-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-07-01	34280951	-	-	-	-	N/A	-	-	S2X259 Fab light chain; Spike glycoprotein; S2X259 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7lmd	1.96 Å	2021-08-11	X-ray	Y6A	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.77%	23.35%	6.00%	2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide	2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide	HKL-2000	98.68%	4.7	APS (21-ID-F)	PHENIX	2021-02-05	34347470	-	-	-	-	N/A	-	-	3C-like proteinase	53.9	-		No	-		51.6	51.9	79.1		-
7lme	2.10 Å	2021-08-11	X-ray	Y6J	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.01%	24.05%	14.00%	~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide	~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide	HKL-2000	99.16%	15.1	APS (21-ID-F)	PHENIX	2021-02-05	34347470	-	-	-	-	N/A	-	-	3C-like proteinase	62.8	-		No	-		44.4	73.6	82.3		-
7lmf	2.20 Å	2021-08-11	X-ray	Y6G	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.57%	25.39%	13.00%	2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide	2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide	HKL-2000	99.53%	14.1	APS (21-ID-F)	PHENIX	2021-02-05	34347470	-	-	-	-	N/A	-	-	3C-like proteinase	55.3	-		No	-		31.9	78.7	74.7		-
7lmg	1.60 Å	2021-08-11	X-ray	Y6G	SARS-CoV	NSP5 (3CLpro)	Functional ligand	18.45%	20.78%	8.48%	2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide	2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-imidazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide	HKL-2000	96.98%	7.38	APS (21-ID-F)	REFMAC	2021-02-05	34347470	-	-	-	-	N/A	-	-	3C-like proteinase	65.3	-		No	-		76.0	73.8	55.7		-
7lmh	1.85 Å	2021-08-11	X-ray	Y6D	SARS-CoV	NSP5 (3CLpro)	Functional ligand	17.90%	21.52%	1.90%	2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide	2-(benzotriazol-1-yl)-~{N}-(4-pyridin-3-ylphenyl)-~{N}-(thiophen-3-ylmethyl)ethanamide	HKL-2000	99.42%	5.77	APS (21-ID-F)	REFMAC	2021-02-05	34347470	-	-	-	-	N/A	-	-	3C-like proteinase	67.4	-		No	-		69.6	73.8	66.7		-
7lmi	1.71 Å	2021-08-11	X-ray	Y6A	SARS-CoV	NSP5 (3CLpro)	Functional ligand	16.74%	21.56%	5.40%	2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide	2-(benzotriazol-1-yl)-~{N}-[4-(1~{H}-pyrazol-4-yl)phenyl]-~{N}-(thiophen-3-ylmethyl)ethanamide	HKL-2000	99.75%	2.59	APS (21-ID-F)	REFMAC	2021-02-05	34347470	-	-	-	-	N/A	-	-	3C-like proteinase	53.6	-		No	-		69.3	64.4	48.3		-
7lmj	1.69 Å	2021-08-11	X-ray	Y67	SARS-CoV	NSP5 (3CLpro)	Functional ligand	14.56%	19.17%	2.90%	2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide	2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(2-oxidanylidene-1~{H}-pyridin-3-yl)phenyl]ethanamide	HKL-2000	99.50%	17.06	APS (21-ID-F)	REFMAC	2021-02-05	34347470	-	-	-	-	N/A	-	-	3C-like proteinase	55.3	-		No	-		86.9	45.7	52.7		-
7mdw	3.58 Å	2021-08-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-04-06	-	-	-	-	-	N/A	-	-	nanobody Nb105; Spike protein S1; nonobody Nb21	N/A	-		No	-	-	N/A	N/A	N/A		-
7me7	3.73 Å	2021-08-11	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-04-06	-	-	-	-	-	N/A	-	-	Nanobody Nb105; Spike protein S1; Nanobody Nb17	N/A	-		No	-	-	N/A	N/A	N/A		-
7mej	3.55 Å	2021-08-11	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-04-06	-	-	-	-	-	N/A	-	-	Nanobody Nb21; Nanobody Nb36; Spike protein S1	N/A	-		No	-	-	N/A	N/A	N/A		-
7n9t	3.18 Å	2021-08-11	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-06-18	-	-	-	-	-	N/A	-	-	Nanobody Nb17; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7oan	3.00 Å	2021-08-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	34.54%	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	REFMAC	2021-04-19	34552091	-	-	-	-	N/A	-	-	Spike glycoprotein; immunoglobulin mu heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7oao	1.50 Å	2021-08-11	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	15.21%	18.60%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.40%	28.1	Diamond (I03)	REFMAC	2021-04-19	34552091	-	-	-	-	N/A	-	-	C5 nanobody; Spike protein S1	70.9	-		No	-		89.7	50.2	77.7		-
7oap	1.90 Å	2021-08-11	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	18.02%	20.40%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	14.4	Diamond (I03)	REFMAC	2021-04-19	34552091	-	-	-	-	N/A	-	-	H3 nanobody; Spike protein S1; C1 nanobody	52.3	-		No	-		78.8	16.8	83.8		-
7oaq	1.55 Å	2021-08-11	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	15.50%	17.83%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	16.9	Diamond (I04)	REFMAC	2021-04-20	34552091	-	-	-	-	N/A	-	-	Spike protein S1; H3; H3	55.1	-		No	-		92.7	12.4	79.7		-
7oau	1.65 Å	2021-08-11	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	17.54%	19.92%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	10.0	Diamond (I24)	REFMAC	2021-04-20	34552091	-	-	-	-	N/A	-	-	Spike protein S1; C5	81.6	-		No	-		82.2	84.1	82.2		-
7oay	2.34 Å	2021-08-11	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.19%	22.75%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	9.9	Diamond (I03)	REFMAC	2021-04-20	34552091	-	-	-	-	N/A	-	-	F2 nanobody; Spike protein S1	60.2	-		No	-		57.6	71.9	65.5		-
7olz	1.75 Å	2021-08-11	X-ray	DMX	SARS-CoV-2	Spike	Functional ligand	17.57%	20.92%	9.04%	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	3-[BENZYL(DIMETHYL)AMMONIO]PROPANE-1-SULFONATE	XDS	85.05%	17.91	SLS (X10SA)	PHENIX	2021-05-20	34302370	-	-	-	-	N/A	-	-	Nanobody Re9F06; Nanobody Re5D06; Spike protein S1	73.5	-		No	-		74.7	66.6	82.9		-
7rn0	2.25 Å	2021-08-11	X-ray	5ZB	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.38%	24.10%	7.10%	(2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide	(2R)-2-{acetyl[4-(1H-pyrrol-1-yl)phenyl]amino}-N-[(1S)-1-phenylethyl]-2-(pyridin-3-yl)acetamide	iMOSFLM	92.40%	7.6	APS (19-ID)	REFMAC	2021-07-28	34860011	-	-	-	-	N/A	-	-	3C-like proteinase	49.4	-		No	-		43.8	88.6	41.5		-
7cot	2.16 Å	2021-08-18	X-ray	-	SARS-CoV-2	Spike	No functional ligands	19.67%	24.66%	8.80%		-	HKL-2000	98.40%	13.55	NSRRC (TPS 05A)	PHENIX	2020-08-05	-	-	-	-	-	N/A	-	-	Spike glycoprotein	16.5	-		No	-	-	38.6	19.1	48.5		-
7my8	-	2021-08-18	NMR	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-05-20	34375093	-	-	-	-	N/A	-	-	Spike protein S2 - residues 816-857	N/A	-		No	-		N/A	N/A	N/A		-
7ozu	3.30 Å	2021-08-18	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12	No functional ligands	N/A	N/A	N/A	Product RNA; Template RNA	-		-	-	()	phenix.real_space_refine; PHENIX	2021-06-28	34381216	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1ab; Non-structural protein 7; Product RNA; Template RNA; Non-structural protein 8	N/A	-		No	-		N/A	N/A	N/A	Template RNA; Product RNA	-
7ozv	3.20 Å	2021-08-18	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12	No functional ligands	N/A	N/A	N/A	Product RNA; Template RNA	-		-	-	()	PHENIX	2021-06-28	34381216	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1ab; Non-structural protein 8; Non-structural protein 7; Product RNA; Template RNA	N/A	-		No	-		N/A	N/A	N/A	Product RNA; Template RNA	-
7rqg	2.17 Å	2021-08-18	X-ray	-	SARS-CoV-2	NSP3(C-term)	No functional ligands	19.68%	24.17%	10.40%		-	HKL-3000	90.50%	15.26	APS (19-ID)	PHENIX	2021-08-06	-	-	-	-	-	N/A	-	-	Non-structural protein 3 - Y3 domain	18.6	-		No	-	-	43.3	19.0	48.9		-
7drv	3.09 Å	2021-08-25	X-ray	NAG	Bat-CoV-RaTG13	Spike	Pathogen-host interaction	22.60%	25.00%	10.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000; HKL-2000	99.50%	14.3	SSRF (BL19U1)	PHENIX	2020-12-29	34139177	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein - RBD	34.5	-		No	-		35.1	59.6	50.3		-
7fdg	3.69 Å	2021-08-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-16	34580297	-	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7fdh	3.72 Å	2021-08-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-16	34580297	-	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7fdi	3.12 Å	2021-08-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-16	34580297	-	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7fdk	3.69 Å	2021-08-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-16	34580297	-	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7m2p	1.70 Å	2021-08-25	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.57%	20.58%	N/A	Inhibitor 18 in bound form	-	iMOSFLM	99.90%	10.2	ROTATING ANODE ()	PHENIX	2021-03-17	34288674	-	-	-	-	N/A	-	-	Inhibitor 18 in bound form; 3C-like proteinase	37.0	-		No	-		77.6	13.1	59.3		-
7oyg	5.50 Å	2021-08-25	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12	No functional ligands	N/A	N/A	N/A	RNA (5'-R(PCPUPAPCPGPCPAPGPUPG)-3'); RNA (5'-R(PUPGPCPAPCPUPGPCPGPUPAPG)-3')	-		-	-	()		2021-06-24	-	ZN	-	-	-	N/A	-	-	RNA (5'-R(PUPGPCPAPCPUPGPCPGPUPAPG)-3'); SARS-CoV-2 nsp7; SARS-CoV-2 nsp8; SARS-CoV-2 RNA-dependent RNA polymerase (nsp12); RNA (5'-R(PCPUPAPCPGPCPAPGPUPG)-3')	N/A	-		No	-	-	N/A	N/A	N/A	RNA (5'-R(PCPUPAPCPGPCPAPGPUPG)-3'); RNA (5'-R(PUPGPCPAPCPUPGPCPGPUPAPG)-3')	-
7e39	3.70 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-02-08	34285195	-	-	-	-	N/A	-	-	Heavy Chain of Ab4; Light Chain of Ab4; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7e3b	4.20 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-02-08	34285195	-	-	-	-	N/A	-	-	Heavy Chain of Ab5; Spike protein S1; Light Chain of Ab5	N/A	-		No	-		N/A	N/A	N/A		-
7e3c	4.20 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-02-08	34285195	-	-	-	-	N/A	-	-	Light chain of Ab1; Heavy chain of Ab1; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7edf	3.20 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-16	34385690	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7edg	3.20 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-16	34385690	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7edh	3.60 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-16	34385690	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7edi	3.30 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-16	34385690	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7edj	3.30 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-16	34385690	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2 (ACE2) ectodomain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7eh5	4.00 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-28	34385690	-	-	-	-	N/A	-	-	RBD-chAb15, light chain; RBD-chAb45, light chain; RBD-chAb15, heavy chain; Spike glycoprotein; RBD-chAb45, heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7f2b	2.00 Å	2021-09-01	X-ray	PO4	SARS-CoV-2	Nucleocapsid	No functional ligands	15.66%	21.35%	4.60%	PHOSPHATE ION	PHOSPHATE ION	CrysalisPro	100.00%	11.79	ROTATING ANODE ()	PHENIX	2021-06-10	34665939	-	-	-	-	N/A	-	-	Nucleoprotein	74.1	-		No	-		71.1	91.4	63.0		-
7l7d	2.50 Å	2021-09-01	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	18.46%	23.10%	4.60%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	19.2	APS (21-ID-F)	PHENIX	2020-12-28	34548634	-	-	-	-	N/A	-	-	light chain of human monoclonal antibody Fab AZD8895; heavy chain of human monoclonal antibody Fab AZD8895; Spike protein S1 - receptor binding domain (UNP residues 330-529)	48.6	-		No	-		53.9	42.4	76.0		-
7l7e	3.00 Å	2021-09-01	X-ray	NAG, PO4	SARS-CoV-2	Spike	Pathogen-host interaction	21.54%	27.29%	23.10%	PHOSPHATE ION	2-acetamido-2-deoxy-beta-D-glucopyranose; PHOSPHATE ION	XDS	99.90%	6.4	APS (21-ID-G)	PHENIX	2020-12-28	34548634	-	-	-	-	N/A	-	-	light chain of human monoclonal antibody Fab AZD8895; Spike protein S1 - receptor binding domain (UNP residues 330-529); light chain of human monoclonal antibody Fab AZD1061; heavy chain of human monoclonal antibody Fab AZD1061; heavy chain of human monoclonal antibody AZD8895	45.1	-		No	-		18.0	88.1	59.5		-
7r7h	2.15 Å	2021-09-01	X-ray	4IT	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.31%	25.92%	N/A	N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-({(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	XDS	96.64%	9.23	SSRL (BL12-1)	PHENIX	2021-06-24	34778773	-	-	-	-	N/A	-	-	3C-like proteinase	20.8	-		No	-		27.2	48.9	40.1		-
7rw2	3.50 Å	2021-09-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-19	34706271	-	-	-	-	N/A	-	-	5-7 heavy chain; 5-7 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7e5o	2.80 Å	2021-09-08	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	22.62%	25.62%	20.54%		-	XDS	99.88%	5.75	Photon Factory (BL-17A)	PHENIX	2021-02-19	34508662	-	-	-	-	N/A	-	-	NT-193 Heavy chain; Spike protein S1; NT-193 Light chain	45.8	-		No	-		29.7	69.4	68.0		-
7ey0	3.20 Å	2021-09-08	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-05-29	34433900	-	-	-	-	N/A	-	-	BD-813L; BD-813H; BD-744H; Spike glycoprotein; BD-744L	N/A	-		No	-		N/A	N/A	N/A		-
7ey4	3.69 Å	2021-09-08	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-05-29	34433900	-	-	-	-	N/A	-	-	BD-667 L; Spike glycoprotein; Spike glycoprotein; BD-667 H	N/A	-		No	-		N/A	N/A	N/A		-
7ey5	3.40 Å	2021-09-08	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-05-29	34433900	-	-	-	-	N/A	-	-	BD-821L; BD-771H; BD-771L; Spike glycoprotein; BD-821H	N/A	-		No	-		N/A	N/A	N/A		-
7eya	3.77 Å	2021-09-08	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-05-30	34433900	-	-	-	-	N/A	-	-	BD-804H; Spike glycoprotein; BD-804L; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ezv	3.30 Å	2021-09-08	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-06-02	34433900	-	-	-	-	N/A	-	-	836H; Spike glycoprotein; 812 H; 812L; 836L	N/A	-		No	-		N/A	N/A	N/A		-
7n7r	2.01 Å	2021-09-08	X-ray	S6V	SARS-CoV-2	NSP15	Functional ligand	21.70%	23.97%	N/A	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea	1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea	XDS	100.00%	7.1	Diamond (I04-1)	PHENIX	2021-06-11	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	53.2	-		No	-		45.2	60.5	75.5		-
7n7u	2.06 Å	2021-09-08	X-ray	0MI	SARS-CoV-2	NSP15	Functional ligand	22.16%	25.43%	18.80%		1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione	XDS	94.30%	8.5	Diamond (I04-1)	PHENIX	2021-06-11	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	44.4	-		No	-		31.4	83.2	49.9		-
7n7w	2.42 Å	2021-09-08	X-ray	0OI	SARS-CoV-2	NSP15	Functional ligand	19.38%	22.81%	75.10%	N-(2-fluorophenyl)-N'-methylurea	N-(2-fluorophenyl)-N'-methylurea	XDS	100.00%	4.0	Diamond (I04-1)	PHENIX	2021-06-11	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	68.9	-		No	-		56.9	90.0	66.4		-
7n7y	2.09 Å	2021-09-08	X-ray	RZG	SARS-CoV-2	NSP15	Functional ligand	21.70%	24.08%	25.60%	methyl 4-sulfamoylbenzoate	methyl 4-sulfamoylbenzoate	XDS	100.00%	6.7	Diamond (I04-1)	PHENIX	2021-06-11	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	54.6	-		No	-		44.2	58.6	81.0		-
7n83	1.91 Å	2021-09-08	X-ray	WNM	SARS-CoV-2	NSP15	Functional ligand	20.84%	23.17%	15.20%	(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine	(3S)-1-(phenylsulfonyl)pyrrolidin-3-amine	XDS	100.00%	9.5	Diamond (I04-1)	BUSTER	2021-06-12	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	66.4	-		No	-		53.4	70.3	84.2		-
7rn1	2.30 Å	2021-09-08	X-ray	5ZF	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.80%	22.25%	8.80%	N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide	N-([1,1'-biphenyl]-4-yl)-2-chloro-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]acetamide	iMOSFLM	76.70%	7.2	APS (22-ID)	REFMAC	2021-07-28	34860011	-	-	-	-	N/A	-	-	3C-like proteinase	66.7	-		No	-		62.7	83.7	62.1		-
7rzc	2.04 Å	2021-09-08	X-ray	JWX	SARS-CoV-2	NSP3: PLpro	Functional ligand	17.76%	21.17%	10.90%	(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine	(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine	HKL-3000	100.00%	6.3	APS (19-ID)	REFMAC	2021-08-27	-	ZN	-	-	-	N/A	-	-	Non-structural protein 3	63.0	-		No	-	-	72.7	53.2	74.8		-
7cyv	3.13 Å	2021-09-15	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	25.18%	27.62%	27.24%		-	XDS	98.89%	5.65	SSRF (BL18U1)	PHENIX	2020-09-04	34672091	-	-	-	-	N/A	-	-	Spike protein S1 - receptor-binding domain (RBD); The heavy chain variable region of the scFv FD20,The light chain variable region of the scFv FD20	22.7	-		No	-		16.0	77.3	27.1		-
7e3k	3.90 Å	2021-09-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-02-09	34728625	-	-	-	-	N/A	-	-	13G9 heavy chain; Spike glycoprotein; 13G9 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7e3l	3.60 Å	2021-09-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-02-09	34728625	-	-	-	-	N/A	-	-	58G6 heavy chain; Spike glycoprotein; 58G6 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7e3o	2.51 Å	2021-09-15	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	20.40%	25.89%	N/A		-	HKL-3000	94.20%	-0.6	SSRF (BL19U1)	PHENIX	2021-02-09	34643438	-	-	-	-	N/A	-	-	nCoV617 Heigh Chain; nCoV617 Light Chain; Spike protein S1 - UNP residues 337-527	36.7	-		No	-		27.6	73.8	48.2		-
7lq7	3.40 Å	2021-09-15	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.74%	23.34%	10.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.80%	5.7	SSRL (BL12-1)	REFMAC	2021-02-13	34519517	-	-	-	-	N/A	-	-	Spike protein S1; COVA1-16 light chain; COVA1-16 heavy chain; CV503 light chain; CV503 heavy chain	53.7	-		No	-		51.6	87.3	43.2		-
7mtc	2.60 Å	2021-09-15	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-13	34461095	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mtd	3.50 Å	2021-09-15	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-13	34461095	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mte	3.20 Å	2021-09-15	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-13	34461095	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7s3k	1.90 Å	2021-09-15	X-ray	Z26	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.51%	20.39%	7.80%	2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide	2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide	CrysalisPro	99.90%	13.39	ROTATING ANODE ()	PHENIX	2021-09-07	35434531	-	-	-	-	N/A	-	-	3C-like proteinase	71.4	-		No	-		79.0	42.8	97.1		-
7s3s	2.00 Å	2021-09-15	X-ray	860	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.32%	22.20%	5.90%	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide	CrysalisPro	98.60%	18.4	ROTATING ANODE ()	PHENIX	2021-09-08	35434531	-	-	-	-	N/A	-	-	3C-like proteinase	68.8	-		No	-		63.1	52.3	97.6		-
7s4b	2.00 Å	2021-09-15	X-ray	87H	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.17%	20.98%	7.80%	(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide	(2R)-2-(3-fluorophenyl)-N-(isoquinolin-4-yl)propanamide	CrysalisPro	97.50%	12.51	ROTATING ANODE ()	PHENIX	2021-09-08	35434531	-	-	-	-	N/A	-	-	3C-like proteinase	75.3	-		No	-		74.3	56.1	98.2		-
7eiz	3.35 Å	2021-09-22	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP9/NSP10/NSP12/NSP13/NSP14	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-04-01	34143953	ZN; MG	-	-	-	N/A	-	-	Helicase - UNP residues 5325-5925; Non-structural protein 8 - UNP residues 3943-4140; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 7 - UNP residues 3860-3942; Non-structural protein 10 - UNP residues 4254-4392; primer; Proofreading exoribonuclease - UNP residues 5926-6452; template; Non-structural protein 9	N/A	-		No	-		N/A	N/A	N/A		-
7kn3	2.25 Å	2021-09-22	X-ray	NAG, PGE	SARS-CoV-2	Spike	Pathogen-host interaction	18.63%	22.19%	9.80%	2-acetamido-2-deoxy-beta-D-glucopyranose; TRIETHYLENE GLYCOL	2-acetamido-2-deoxy-beta-D-glucopyranose; TRIETHYLENE GLYCOL	HKL-2000	97.40%	6.0	APS (23-ID-B)	PHENIX	2020-11-04	34716683	-	-	-	-	N/A	-	-	S-B8 Fab light chain; Spike protein S1; S-B8 Fab heavy chain	72.1	-		No	-		63.4	69.8	87.4		-
7kn4	2.70 Å	2021-09-22	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	24.08%	29.10%	9.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	93.30%	7.7	APS (23-ID-B)	PHENIX	2020-11-04	34716683	-	-	-	-	N/A	-	-	S-E6 Fab heavy chain; Spike protein S1; S-E6 Fab light chain	17.1	-		No	-		9.6	45.9	52.3		-
7l8i	2.10 Å	2021-09-22	X-ray	AG7	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.63%	26.31%	8.65%	4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER	4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER	HKL-3000	92.20%	9.05	ROTATING ANODE ()	PHENIX	2020-12-31	34506130	-	-	-	-	N/A	-	-	3C-like proteinase	22.7	-		No	-		24.3	26.5	69.7		-
7l8j	2.45 Å	2021-09-22	X-ray	AG7	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.33%	28.11%	12.47%	4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER	4-{2-(4-FLUORO-BENZYL)-6-METHYL-5-[(5-METHYL-ISOXAZOLE-3-CARBONYL)-AMINO]-4-OXO-HEPTANOYLAMINO}-5-(2-OXO-PYRROLIDIN-3-YL)-PENTANOIC ACID ETHYL ESTER		99.72%	10.04	NSLS-II (17-ID-1)	PHENIX	2020-12-31	34506130	-	-	-	-	N/A	-	-	3C-like proteinase	11.3	-		No	-		13.5	15.6	63.5		-
7rks	2.70 Å	2021-09-22	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	19.46%	24.67%	6.22%		-	XDS	95.70%	13.14	SSRL (BL12-2)	PHENIX	2021-07-22	34534459	-	-	-	-	N/A	-	-	Spike protein S1; C118 Antibody Fab Light Chain; C118 Antibody Fab Heavy Chain	36.8	-		No	-		38.5	65.9	45.2		-
7rku	3.20 Å	2021-09-22	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	18.76%	23.11%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.50%	12.87	SSRL (BL12-2)	PHENIX	2021-07-22	34534459	-	-	-	-	N/A	-	-	C022 Antibody Fab Heavy Chain; C022 Antibody Fab Light Chain; Spike protein S1 - Receptor Binding Domain	37.8	-		No	-		53.9	60.5	37.3		-
7rkv	3.45 Å	2021-09-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-22	34534459	-	-	-	-	N/A	-	-	Spike glycoprotein; C118 Fab Light Chain; C118 Fab Heavy Chain	N/A	-		No	-		N/A	N/A	N/A		-
7s4s	2.05 Å	2021-09-22	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	16.57%	19.79%	14.10%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	98.00%	11.6	SSRL (BL12-2)	REFMAC; PHENIX	2021-09-09	37334379	-	-	-	-	N/A	-	-	Spike protein S1; CoV11 heavy chain; CoV11 light chain	53.1	-		No	-		83.2	26.0	71.9		-
7d64	2.45 Å	2021-09-29	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.63%	26.54%	7.80%		-	XDS	99.00%	10.3	CLSI (08ID-1)	REFMAC	2020-09-29	35255411	ZN	-	-	-	N/A	-	-	3C-like proteinase	31.7	-		No	-		22.7	73.2	43.4		-
7dhx	2.30 Å	2021-09-29	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	19.44%	23.49%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.20%	51.4	SSRF (BL17U)	PHENIX	2020-11-17	-	ZN	-	-	-	N/A	-	-	Spike glycoprotein - Receptor binding domain (RBD); pangolin ACE2	44.1	-		No	-	-	50.2	56.4	57.2		-
7dqz	1.99 Å	2021-09-29	X-ray	-	SARS-CoV	NSP5 (3CLpro)	No functional ligands	22.83%	25.75%	3.20%		-	AUTOMAR	94.10%	2.0	SSRF (BL17U1)	PHENIX	2020-12-24	34586857	-	-	-	-	N/A	-	-	3C-like proteinase	18.0	-		No	-		28.7	19.8	61.5		-
7fg2	4.40 Å	2021-09-29	Cryo-EM	-	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		-		-	-	()		2021-07-25	34648602	-	-	-	-	N/A	-	-	K-874A VHH; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7fg3	3.90 Å	2021-09-29	Cryo-EM	-	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		-		-	-	()		2021-07-25	34648602	-	-	-	-	N/A	-	-	K-874A VHH; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7fg7	6.90 Å	2021-09-29	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-07-26	34648602	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7k9h	3.20 Å	2021-09-29	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2020-09-29	34655519	-	-	-	-	N/A	-	-	Spike glycoprotein; 2B04 heavy chain; 2B04 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7k9i	3.30 Å	2021-09-29	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-09-29	34655519	-	-	-	-	N/A	-	-	2B04 heavy chain; Spike protein S1 - receptor binding domain (UNP residues 333-527); 2B04 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7k9j	3.00 Å	2021-09-29	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2020-09-29	34655519	-	-	-	-	N/A	-	-	Spike glycoprotein; 2H04 heavy chain; 2H04 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7k9k	3.14 Å	2021-09-29	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	phenix.real_space_refine; PHENIX	2020-09-29	34655519	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain (UNP residues 333-527); 2H04 heavy chain; 2H04 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7rbr	1.88 Å	2021-09-29	X-ray	-	SARS-CoV-2	NSP3: PLpro	Protein-protein complex	18.67%	22.84%	10.60%		-	HKL-3000	96.10%	6.5	APS (19-ID)	REFMAC	2021-07-06	37185902	ZN	-	-	-	N/A	-	-	Papain-like protease; Ubiquitin	54.9	-		No	-		56.6	44.0	83.8		-
7rbs	2.98 Å	2021-09-29	X-ray	-	SARS-CoV-2	NSP3: PLpro	Protein-protein complex	19.51%	23.58%	21.40%		-	HKL-3000	99.90%	5.3	APS (19-ID)	REFMAC	2021-07-06	37185902	ZN	-	-	-	N/A	-	-	Papain-like protease; Ubiquitin-like protein ISG15	70.7	-		No	-		49.2	83.0	85.1		-
7rbz	1.65 Å	2021-09-29	X-ray	4IJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.72%	18.92%	7.79%	5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate	5-chloropyridin-3-yl 2,3-dihydro-1H-indole-4-carboxylate	HKL-2000	99.79%	16.18	APS (21-ID-F)	REFMAC; PHENIX	2021-07-06	34528437	-	-	-	-	N/A	-	-	3C-like proteinase	52.0	-		No	-		88.2	29.4	61.3		-
7rc0	1.65 Å	2021-09-29	X-ray	4I9, NA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	12.59%	17.41%	7.27%	5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate; SODIUM ION	5-chloro-4-methylpyridin-3-yl 1H-indole-4-carboxylate; SODIUM ION	HKL-2000	99.53%	17.86	APS (21-ID-F)	PHENIX	2021-07-06	34528437	-	-	-	-	N/A	-	-	3C-like proteinase	69.6	-		No	-		94.1	52.2	68.6		-
7rc1	1.63 Å	2021-09-29	X-ray	4IO	SARS-CoV	NSP5 (3CLpro)	Functional ligand	19.05%	22.17%	5.83%	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate	5-chloropyridin-3-yl 1-(3-nitrobenzene-1-sulfonyl)-1H-indole-5-carboxylate	HKL-2000	97.67%	23.62	APS (21-ID-G)	PHENIX; PHENIX	2021-07-07	34528437	-	-	-	-	N/A	-	-	3C-like proteinase	31.8	-		No	-		63.5	17.7	58.3		-
7e6l	1.78 Å	2021-10-06	X-ray	-	HCoV-NL63	NSP5 (3CLpro)	No functional ligands	18.10%	20.16%	4.60%		-	HKL-2000	99.70%	19.9	SSRF (BL17U1)	PHENIX	2021-02-22	34605439	-	-	-	-	N/A	-	-	3C-like proteinase	60.3	-		No	-		80.6	53.3	61.1		-
7e6m	1.83 Å	2021-10-06	X-ray	-	HCoV-NL63	NSP5 (3CLpro)	No functional ligands	19.13%	22.53%	6.00%		-	HKL-2000	99.90%	18.5	SSRF (BL17U1)	PHENIX	2021-02-22	34605439	-	-	-	-	N/A	-	-	3C-like proteinase	47.1	-		No	-		59.9	53.3	56.3		-
7e6n	1.84 Å	2021-10-06	X-ray	-	HCoV-NL63	NSP5 (3CLpro)	No functional ligands	18.40%	21.74%	4.60%		-	HKL-2000	99.20%	20.2	SSRF (BL17U1)	PHENIX	2021-02-22	34605439	-	-	-	-	N/A	-	-	3C-like proteinase	54.7	-		No	-		67.6	59.3	57.3		-
7e6r	1.90 Å	2021-10-06	X-ray	-	HCoV-NL63	NSP5 (3CLpro)	No functional ligands	18.70%	22.24%	7.50%		-	HKL-2000	99.60%	16.5	SSRF (BL17U1)	PHENIX	2021-02-23	34605439	-	-	-	-	N/A	-	-	3C-like proteinase	51.1	-		No	-		62.8	51.5	63.0		-
7mzf	2.49 Å	2021-10-06	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	18.51%	22.72%	17.10%		-	XDS	99.50%	11.33	Australian Synchrotron (MX2)	PHENIX	2021-05-24	34610292	-	-	-	-	N/A	-	-	PDI 37 light chain; PDI 37 heavy chain; Spike protein S1 - Receptor Binding Domain (RBD)	58.2	-		No	-		57.9	88.9	44.2		-
7mzg	2.00 Å	2021-10-06	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	20.03%	23.64%	10.10%		-	XDS	99.70%	11.82	Australian Synchrotron (MX2)	PHENIX	2021-05-24	34610292	-	-	-	-	N/A	-	-	PDI 42 heavy chain; PDI 42 light chain; Spike protein S1 - Receptor Binding Domain (RBD)	39.1	-		No	-		48.5	25.3	80.4		-
7mzh	2.10 Å	2021-10-06	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	21.99%	26.53%	7.30%		-	XDS	99.90%	11.8	Australian Synchrotron (MX2)	PHENIX	2021-05-24	34610292	-	-	-	-	N/A	-	-	WCSL 119 light chain; Spike protein S1 - Receptor Binding Domain (RBD); WCSL 119 heavy chain	34.8	-		No	-		22.7	58.9	64.0		-
7mzi	1.85 Å	2021-10-06	X-ray	PG4	SARS-CoV-2	Spike	Pathogen-host interaction	17.40%	20.75%	7.90%		TETRAETHYLENE GLYCOL	XDS	99.30%	9.6	Australian Synchrotron (MX2)	PHENIX	2021-05-24	34610292	-	-	-	-	N/A	-	-	WCSL 129 heavy chain; Spike protein S1 - Receptor Binding Domain (RBD); WCSL 129 light chain	38.9	-		No	-		76.2	27.3	50.3		-
7mzj	2.40 Å	2021-10-06	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	22.21%	26.82%	9.60%		-	XDS	98.40%	9.28	Australian Synchrotron (MX2)	PHENIX	2021-05-24	34610292	-	-	-	-	N/A	-	-	WCSL 129 light chain; PDI 93 heavy chain; PDI 93 light chain; Spike protein S1 - Receptor Binding Domain (RBD); WCSL 129 heavy chain	25.9	-		No	-		20.7	69.3	37.3		-
7mzk	2.25 Å	2021-10-06	X-ray	MPD	SARS-CoV-2	Spike	Pathogen-host interaction	19.72%	23.51%	10.80%	(4S)-2-METHYL-2,4-PENTANEDIOL	(4S)-2-METHYL-2,4-PENTANEDIOL	XDS	98.20%	8.13	Australian Synchrotron (MX2)	PHENIX	2021-05-24	34610292	-	-	-	-	N/A	-	-	PDI 96 heavy chain; WCSL 129 light chain; Spike protein S1 - Receptor Binding Domain (RBD); WCSL 129 heavy chain; PDI 96 light chain	31.9	-		No	-		49.8	49.6	40.3		-
7mzl	3.70 Å	2021-10-06	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	22.15%	25.62%	34.40%		-	XDS	99.90%	7.5	Australian Synchrotron (MX2)	PHENIX	2021-05-24	34610292	-	-	-	-	N/A	-	-	PDI 210 heavy chain; Spike protein S1 - Receptor Binding Domain (RBD); PDI 210 light chain	60.8	-		No	-		29.7	91.2	75.1		-
7mzm	2.30 Å	2021-10-06	X-ray	IPA	SARS-CoV-2	Spike	Pathogen-host interaction	21.60%	25.73%	16.40%	ISOPROPYL ALCOHOL	ISOPROPYL ALCOHOL	XDS	99.80%	11.58	Australian Synchrotron (MX2)	PHENIX	2021-05-24	34610292	-	-	-	-	N/A	-	-	PDI 215 light chain; PDI 215 heavy chain; Spike protein S1 - Receptor Binding Domain (RBD)	23.0	-		No	-		28.8	47.2	45.2		-
7mzn	3.10 Å	2021-10-06	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	22.33%	25.85%	27.90%		-	XDS	99.90%	6.5	Australian Synchrotron (MX2)	PHENIX	2021-05-24	34610292	-	-	-	-	N/A	-	-	PDI 231 light chain; PDI 231 heavy chain; Spike protein S1 - Receptor Binding Domain (RBD)	61.7	-		No	-		27.8	89.1	81.1		-
7n4i	2.28 Å	2021-10-06	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	19.99%	23.78%	N/A		-	HKL-2000	99.30%	19.0	APS (24-ID-C)	PHENIX	2021-06-04	34716452	-	-	-	-	N/A	-	-	WRAIR-2057 Antibody Fab Light Chain; Spike protein S1 - receptor binding domain (RBD); WRAIR-2057 Antibody Fab Heavy Chain	21.4	-		No	-		47.2	15.2	55.3		-
7n4j	2.21 Å	2021-10-06	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	17.20%	20.69%	N/A		-	HKL-2000	99.20%	10.6	APS (19-ID)	PHENIX	2021-06-04	34716452	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor Binding Domain (RBD); WRAIR-2173 antibody Fab light chain; WRAIR-2173 antibody Fab heavy chain	45.4	-		No	-		76.7	24.1	65.4		-
7nts	1.48 Å	2021-10-06	X-ray	FMT	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.57%	20.72%	N/A	FORMIC ACID	FORMIC ACID	Aimless	97.10%	11.7	SOLEIL (PROXIMA 1)	REFMAC	2021-03-10	34570415	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	76.9	-		No	-		76.3	73.6	83.0		-
7p51	1.47 Å	2021-10-06	X-ray	5P9, NA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.14%	21.57%	N/A	SODIUM ION; N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide	N-(5-chloropyridin-2-yl)-3-oxo-2,3-dihydro-1H-indene-1-carboxamide; SODIUM ION	XDS	99.40%	13.68	SOLEIL (PROXIMA 2)	REFMAC	2021-07-13	34570415	-	-	-	-	N/A	-	-	3C-like proteinase	62.6	-		No	-		69.2	55.9	74.8		-
7rr0	3.12 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-08-08	34610292	-	-	-	-	N/A	-	-	PDI 222 Fab Heavy Chain; Spike protein S1 - RBD domain; PDI 222 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7rxd	3.60 Å	2021-10-06	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-08-22	34620716	-	-	-	-	N/A	-	-	Fab_8D3_2 light chain; Spike protein S1 - Receptor Binding Domain (RBD); Maltodextrin-binding protein,Immunoglobulin G-binding protein A,Immunoglobulin G-binding protein G; Fab_8D3_2 heavy chain; Nb_RBD	N/A	-		No	-		N/A	N/A	N/A		-
7s0b	2.90 Å	2021-10-06	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	21.46%	25.97%	18.70%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.80%	6.4	SSRL (BL12-2)	PHENIX	2021-08-30	35114110	-	-	-	-	N/A	-	-	N-612-056 Light Chain; Spike protein S1; N-612-056 Fab Heavy Chain	7.2	-		No	-		26.9	22.7	29.4		-
7s0c	3.25 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-30	35114110	-	-	-	-	N/A	-	-	Spike glycoprotein; N-612-017 Fab Heavy Chain; N-612-017 Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7s0d	3.50 Å	2021-10-06	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-08-30	35114110	-	-	-	-	N/A	-	-	N-612-014 Light Chain; Spike glycoprotein; N-612-014 Fab Heavy Chain	N/A	-		No	-		N/A	N/A	N/A		-
7s0e	4.90 Å	2021-10-06	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-08-30	35114110	-	-	-	-	N/A	-	-	N-612-004 Fab heavy chain; Spike glycoprotein; N-612-004 Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7sdr	2.72 Å	2021-10-06	X-ray	JW9	SARS-CoV-2	NSP3: PLpro	Functional ligand	17.29%	21.22%	14.00%	4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol	4-({methyl[(1R)-1-(naphthalen-1-yl)ethyl]amino}methyl)phenol	HKL-3000	99.80%	5.8	APS (19-ID)	REFMAC	2021-09-29	-	ZN	-	-	-	N/A	-	-	Non-structural protein 3	77.5	-		No	-	-	72.2	77.6	84.9		-
7v76	3.20 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v77	3.30 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v78	3.40 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v79	3.30 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7a	3.40 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7d	3.00 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7e	2.90 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7f	2.90 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7g	3.10 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7h	3.20 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7i	3.30 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7j	3.40 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7n	2.90 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7o	2.90 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7p	2.90 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7q	2.80 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7r	2.90 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7s	3.00 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7t	3.00 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7u	3.00 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7v	3.10 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v7z	3.10 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2,Green fluorescent protein; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v80	3.90 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2,Green fluorescent protein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v81	3.20 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2,Green fluorescent protein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v82	2.80 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2,Green fluorescent protein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v83	2.80 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2,Green fluorescent protein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v84	3.00 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2,Green fluorescent protein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v85	3.30 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2,Green fluorescent protein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v86	2.80 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-22	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2,Green fluorescent protein; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v87	3.30 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-22	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v88	3.30 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v89	2.80 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-22	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v8a	2.70 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-08-22	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v8b	3.20 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2,Angiotensin-converting enzyme 2 (ACE2) ectodomain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v8c	3.40 Å	2021-10-06	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-08-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7d6i	3.41 Å	2021-10-13	X-ray	-	SARS-CoV	Spike	Pathogen-host interaction	22.55%	25.51%	N/A		-	HKL-2000	100.00%	12.6	SSRF (BL17U1)	PHENIX	2020-09-30	-	-	-	-	-	N/A	-	-	Heavy chain of GH12-Fab; SARS-CoV-2 receptor binding domain; Light chain of GH12-Fab	27.4	-		No	-	-	30.6	65.2	34.5		-
7e5r	3.60 Å	2021-10-13	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-02-20	33782529	-	-	-	-	N/A	-	-	FC05 heavy chain; H014 light chain; H014 heavy chain; FC05 light chain; P17 light chain; P17 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7jp0	1.65 Å	2021-10-13	X-ray	VJA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.83%	22.60%	N/A	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2R)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	MOSFLM	96.60%	8.9	ALS (5.0.2)	PHENIX	2020-08-07	-	-	-	-	-	N/A	-	-	3C-like proteinase	31.5	-		No	-	-	59.1	29.3	50.5		-
7p40	3.50 Å	2021-10-13	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()		2021-07-09	34599871	-	-	-	-	N/A	-	-	Spike glycoprotein; Variable Light Chain P5C3 (VL); Variable Heavy Chain P5C3 (VH)	N/A	-		No	-		N/A	N/A	N/A		-
7phg	4.30 Å	2021-10-13	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-08-17	34599871	-	-	-	-	N/A	-	-	Heavy ChaIn variable; Surface glycoprotein; Light ChaIn	N/A	-		No	-		N/A	N/A	N/A		-
7dte	3.00 Å	2021-10-20	Cryo-EM	-	SARS-CoV-2	NSP7/NSP8/NSP12	Protein-protein complex	N/A	N/A	N/A	RNA (57-MER); RNA (33-MER)	-		-	-	()	PHENIX	2021-01-04	34653416	ZN	-	-	-	N/A	-	-	Non-structural protein 8; RNA (57-MER); RNA (33-MER); RNA-directed RNA polymerase; Non-structural protein 7	N/A	-		No	-		N/A	N/A	N/A	RNA (57-MER); RNA (33-MER)	-
7eo7	2.25 Å	2021-10-20	X-ray	FNO	HCoV-NL63	NSP5 (3CLpro)	Functional ligand	17.65%	23.21%	6.70%	2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione	2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione	HKL-2000	99.40%	16.1	SSRF (BL17U1)	PHENIX; PHENIX	2021-04-21	34586857	-	-	-	-	N/A	-	-	3C-like proteinase	52.2	-		No	-		52.9	68.2	58.3		-
7eo8	2.28 Å	2021-10-20	X-ray	FNO	SARS-CoV	NSP5 (3CLpro)	Functional ligand	22.72%	27.20%	4.60%	2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione	2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione	HKL-2000	95.00%	14.4	SSRF (BL17U1)	PHENIX; PHENIX	2021-04-21	34586857	-	-	-	-	N/A	-	-	3C-like proteinase	6.4	-		No	-		18.5	17.3	40.0		-
7f2e	3.10 Å	2021-10-20	X-ray	PO4	SARS-CoV-2	Nucleocapsid	No functional ligands	26.76%	29.75%	12.40%	PHOSPHATE ION	PHOSPHATE ION	HKL-3000	99.90%	5.4	SSRF (BL18U1)	PHENIX	2021-06-10	34665939	-	-	-	-	N/A	-	-	Nucleoprotein	36.6	-		No	-		7.9	86.3	55.1		-
7orr	1.79 Å	2021-10-20	X-ray	PIM	SARS-CoV-2	NSP10	Functional ligand	17.15%	18.44%	4.70%	4-PHENYL-1H-IMIDAZOLE	4-PHENYL-1H-IMIDAZOLE	XDS	99.30%	24.3	MAX IV (BioMAX)	REFMAC	2021-06-06	35128408	ZN	-	-	-	N/A	-	-	Non-structural protein 10	66.1	-		No	-		90.5	18.5	98.2		-
7oru	1.67 Å	2021-10-20	X-ray	2AQ	SARS-CoV-2	NSP10	Functional ligand	16.05%	17.17%	7.10%	QUINOLIN-2-AMINE	QUINOLIN-2-AMINE	XDS	100.00%	27.3	MAX IV (BioMAX)	REFMAC	2021-06-06	35128408	ZN	-	-	-	N/A	-	-	Non-structural protein 10	71.5	-		No	-		94.7	25.0	99.3		-
7orv	1.95 Å	2021-10-20	X-ray	X4V	SARS-CoV-2	NSP10	Functional ligand	17.03%	20.20%	7.20%	N~4~,N~4~-dimethylpyridine-2,4-diamine	N~4~,N~4~-dimethylpyridine-2,4-diamine	XDS	99.80%	14.8	MAX IV (BioMAX)	REFMAC	2021-06-06	35128408	ZN	-	-	-	N/A	-	-	Non-structural protein 10	56.4	-		No	-		80.3	16.1	91.0		-
7orw	1.95 Å	2021-10-20	X-ray	7WA	SARS-CoV-2	NSP10	Functional ligand	17.45%	20.86%	7.50%	1H-benzimidazol-4-amine	1H-benzimidazol-4-amine	XDS	100.00%	13.5	MAX IV (BioMAX)	REFMAC	2021-06-06	35128408	ZN	-	-	-	N/A	-	-	Non-structural protein 10	71.5	-		No	-		75.2	44.7	99.3		-
7r95	-	2021-10-20	NMR	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-06-28	34623907	-	-	-	-	N/A	-	-	Spike protein S2 - Heptad repeat 1 domain, residues 919-965	N/A	-		No	-		N/A	N/A	N/A		-
7sgu	1.79 Å	2021-10-20	X-ray	9EI, FMT	SARS-CoV-2	NSP3: PLpro	Functional ligand	16.71%	18.77%	11.10%	5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide; FORMIC ACID	5-amino-N-(naphthalen-1-yl)pyridine-3-carboxamide; FORMIC ACID	HKL-3000	100.00%	6.9	APS (19-ID)	REFMAC	2021-10-07	-	ZN	-	-	-	N/A	-	-	Papain-like protease	79.6	-		No	-	-	89.0	56.8	95.8		-
7sgv	2.00 Å	2021-10-20	X-ray	L30	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.06%	20.74%	18.90%	N-(naphthalen-1-yl)pyridine-3-carboxamide	N-(naphthalen-1-yl)pyridine-3-carboxamide	HKL-3000	99.00%	7.0	APS (19-ID)	REFMAC	2021-10-07	-	ZN	-	-	-	N/A	-	-	Papain-like protease	54.6	-		No	-	-	76.2	21.3	86.4		-
7sgw	1.95 Å	2021-10-20	X-ray	L30	SARS-CoV-2	NSP3: PLpro	Functional ligand	17.64%	20.68%	12.60%	N-(naphthalen-1-yl)pyridine-3-carboxamide	N-(naphthalen-1-yl)pyridine-3-carboxamide	HKL-3000	99.80%	10.0	APS (19-BM)	REFMAC	2021-10-07	-	ZN	-	-	-	N/A	-	-	Non-structural protein 3	60.5	-		No	-	-	76.8	28.7	90.1		-
7si9	2.00 Å	2021-10-20	X-ray	9I7	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.16%	20.67%	8.70%	(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	CrysalisPro	97.70%	14.5	ROTATING ANODE ()	PHENIX	2021-10-12	35477935	-	-	-	-	N/A	-	-	3C-like proteinase	60.5	-		No	-		76.8	25.3	93.4		-
7v26	3.85 Å	2021-10-20	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-07	34554412	-	-	-	-	N/A	-	-	Spike glycoprotein; XG005 Heavy chain; XG005 Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7v2a	3.40 Å	2021-10-20	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-07	34554412	-	-	-	-	N/A	-	-	The heavy chain of XG014; Spike glycoprotein; The light chain of XG014 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7n3k	3.00 Å	2021-10-27	X-ray	ODN	SARS-CoV-2	NSP9	Functional ligand	22.63%	28.55%	N/A	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one	MOSFLM	99.10%	10.5	Australian Synchrotron (MX2)	PHENIX	2021-06-01	34756886	-	-	-	-	N/A	-	-	Non-structural protein 9	25.2	-		No	-		11.7	87.9	26.2		-
7vnu	1.95 Å	2021-10-27	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	18.84%	22.59%	5.00%		-	XDS	99.80%	19.8	SSRF (BL19U1)	REFMAC	2021-10-12	36806252	-	-	-	-	N/A	-	-	Nucleoprotein - N-terminal domain	47.7	-		No	-		59.4	28.1	83.1		-
7d3c	2.20 Å	2021-11-03	X-ray	-	MERS-CoV	NSP5 (3CLpro)	No functional ligands	22.16%	27.80%	N/A	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	-		100.00%	6.0	SSRF (BL17U)	PHENIX	2020-09-18	23549610	-	-	-	-	N/A	-	-	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE; 3C-like proteinase	13.8	-		No	-		15.0	68.7	15.7		-
7dat	2.75 Å	2021-11-03	X-ray	AU	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	19.41%	22.83%	9.40%		GOLD ION	XDS	96.40%	14.0	SSRF (BL17U1)	PHENIX; REFMAC	2020-10-18	-	AU	-	-	-	N/A	-	-	COVID-19 MAIN PROTEASE	64.3	-		No	-	-	56.7	68.5	78.3		-
7dau	1.72 Å	2021-11-03	X-ray	AU	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	19.92%	23.75%	8.90%		GOLD ION	HKL-3000	99.80%	33.8	SSRF (BL18U1)	REFMAC; PHENIX	2020-10-18	-	AU	-	-	-	N/A	-	-	COVID-19 MAIN PROTEASE	33.1	-		No	-	-	47.4	20.8	74.0		-
7dav	1.77 Å	2021-11-03	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.65%	24.75%	7.00%		-	HKL-3000	99.30%	24.3	SSRF (BL19U1)	PHENIX; REFMAC	2020-10-18	-	-	-	-	-	N/A	-	-	COVID-19 MAIN PROTEASE	40.0	-		No	-	-	37.7	51.8	66.4		-
7ekc	2.80 Å	2021-11-03	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	21.41%	22.52%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		99.90%	17.884	SSRF (BL17U1)	PHENIX	2021-04-05	34671049	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	27.5	-		No	-		60.0	21.5	49.1		-
7eke	2.70 Å	2021-11-03	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	21.19%	24.07%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		100.00%	20.354	SSRF (BL17U1)	PHENIX	2021-04-05	34671049	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1	27.7	-		No	-		44.3	22.7	64.1		-
7ekf	2.85 Å	2021-11-03	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	20.81%	22.38%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		99.90%	16.5	SSRF (BL17U1)	PHENIX	2021-04-05	34671049	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	39.5	-		No	-		61.5	41.3	52.2		-
7ekg	2.63 Å	2021-11-03	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	21.38%	24.84%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		99.00%	21.9	SSRF (BL17U1)	PHENIX	2021-04-05	34671049	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1	24.0	-		No	-		36.7	27.3	59.4		-
7ekh	2.40 Å	2021-11-03	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	20.98%	22.80%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		99.80%	19.826	SSRF (BL17U1)	PHENIX	2021-04-05	34671049	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1	41.5	-		No	-		57.0	28.4	73.6		-
7n5h	3.24 Å	2021-11-03	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-06-05	34836485	-	-	-	-	N/A	-	-	2-36 Fab light chain; Spike glycoprotein; 2-36 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7sbk	3.44 Å	2021-11-03	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	42.23%	42.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-25	34698504	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sbo	3.44 Å	2021-11-03	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	42.23%	42.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-25	34698504	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sbp	3.44 Å	2021-11-03	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	42.23%	42.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-25	34698504	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sbq	3.50 Å	2021-11-03	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	43.51%	43.66%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-25	34698504	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sbr	3.50 Å	2021-11-03	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	43.51%	43.66%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-25	34698504	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sbs	3.50 Å	2021-11-03	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	43.51%	43.66%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-25	34698504	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7vh8	1.59 Å	2021-11-03	X-ray	H2S, 7DI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.44%	20.45%	8.20%	HYDROSULFURIC ACID; PF-07321332, bound form	HYDROSULFURIC ACID; PF-07321332,bound form	XDS	99.90%	16.66	SSRF (BL19U1)	PHENIX	2021-09-21	34687004	-	-	-	-	N/A	-	-	3C-like proteinase	54.0	-		No	-		78.0	37.5	67.3		-
7vmu	2.89 Å	2021-11-03	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	24.10%	27.29%	15.00%		-	HKL-3000	95.20%	5.4	SSRF (BL17U1)	PHENIX	2021-10-09	35581593	-	-	-	-	N/A	-	-	Spike protein S1; scFv E4	20.8	-		No	-		18.0	71.8	26.5		-
7ddc	2.17 Å	2021-11-10	X-ray	H3F	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.12%	23.38%	4.70%	Tafenoquine	Tafenoquine	HKL-2000	99.62%	27.382	NSRRC (BL15A1)	REFMAC	2020-10-28	35101449	-	-	-	-	N/A	-	-	3C-like proteinase	56.0	-		No	-		51.3	68.5	66.9		-
7lfu	2.29 Å	2021-11-10	X-ray	-	SARS-CoV	NSP3: PLpro	Functional ligand	22.44%	26.47%	7.40%	Papain-like protease peptide inhibitor VIR250	-	XDS	100.00%	16.0	APS (24-ID-E)	PHENIX	2021-01-18	34547223	-	-	-	-	N/A	-	-	papain-like protease; Papain-like protease peptide inhibitor VIR250	34.9	-		No	-		23.3	64.6	58.1		-
7lfv	2.23 Å	2021-11-10	X-ray	NH4	SARS-CoV	NSP3: PLpro	Functional ligand	19.72%	23.46%	9.90%	AMMONIUM ION; Papain-like protease peptide inhibitor VIR251	AMMONIUM ION	XDS	99.90%	30.9	APS (24-ID-E)	PHENIX	2021-01-18	34547223	ZN	-	-	-	N/A	-	-	papain-like protease; Papain-like protease peptide inhibitor VIR251	41.5	-		No	-		50.4	56.9	51.4		-
7ltn	1.79 Å	2021-11-10	X-ray	YCV	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.82%	24.49%	12.60%	2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide	2-[4-(1~{H}-indazol-4-yl)-2-methanoyl-6-methoxy-phenoxy]-~{N},~{N}-dimethyl-ethanamide	iMOSFLM	99.43%	6.0	ALS (8.2.1)	PHENIX; PHENIX	2021-02-19	34426525	-	-	-	-	N/A	-	-	3C-like proteinase	28.4	-		No	-		40.4	35.2	57.0		-
7n4l	3.60 Å	2021-11-10	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	26.23%	32.94%	N/A		-	HKL-2000	78.00%	4.3	APS (21-ID-E)	PHENIX	2021-06-04	34716452	-	-	-	-	N/A	-	-	WRAIR-2125 antibody Fab heavy chain; Spike protein S1 - receptor binding domain (RBD); WRAIR-2125 antibody Fab light chain	24.5	-		No	-		4.4	95.1	24.9		-
7n4m	3.79 Å	2021-11-10	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	25.75%	31.68%	N/A		-	HKL-2000	99.70%	13.0	APS (21-ID-E)	PHENIX	2021-06-04	34716452	-	-	-	-	N/A	-	-	WRAIR-2151 antibody Fab heavy chain; Spike protein S1 - Receptor Binding Domain (RBD); WRAIR-2151 antibody Fab light chain	3.7	-		No	-		5.3	13.6	45.0		-
7opl	4.12 Å	2021-11-10	Cryo-EM	SF4	SARS-CoV	NSP1	Protein-protein complex	N/A	N/A	N/A	IRON/SULFUR CLUSTER	IRON/SULFUR CLUSTER		-	-	()	PHENIX	2021-06-01	34719824	ZN	-	-	-	N/A	-	-	DNA primase small subunit; DNA polymerase alpha subunit B; Non-structural protein 1; DNA primase large subunit; DNA polymerase alpha catalytic subunit	N/A	-		No	-		N/A	N/A	N/A		-
7rfr	1.63 Å	2021-11-10	X-ray	4W8	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.37%	22.81%	N/A	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-(4-methoxy-1H-indole-2-carbonyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	65.80%	12.5	APS (17-ID)	BUSTER	2021-07-14	34726479	-	-	-	-	N/A	-	-	3C-like proteinase	48.1	-		No	-		56.9	50.3	64.3		-
7rfs	1.91 Å	2021-11-10	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.52%	26.04%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	66.10%	10.7	APS (17-ID)	BUSTER	2021-07-14	34726479	-	-	-	-	N/A	-	-	3C-like proteinase	28.9	-		No	-		26.2	35.2	72.2		-
7rfu	2.50 Å	2021-11-10	X-ray	4YG	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.67%	27.61%	N/A	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(methanesulfonyl)-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	66.20%	9.7	APS (17-ID)	BUSTER	2021-07-14	34726479	-	-	-	-	N/A	-	-	3C-like proteinase	14.7	-		No	-		16.0	39.2	46.6		-
7rfw	1.73 Å	2021-11-10	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.47%	22.74%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	69.80%	10.5	APS (17-ID)	BUSTER	2021-07-14	34726479	-	-	-	-	N/A	-	-	3C-like proteinase	54.9	-		No	-		57.7	45.7	81.1		-
7rls	2.00 Å	2021-11-10	X-ray	5YN	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.24%	20.10%	7.70%	6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	6-[4-(3,4,5-trichlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	CrysalisPro	99.90%	14.26	ROTATING ANODE ()	PHENIX	2021-07-26	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	45.8	-		No	-		81.0	23.0	63.0		-
7rm2	2.00 Å	2021-11-10	X-ray	5YJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.64%	19.01%	8.60%	6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	6-[4-(3,5-dichloro-4-methylphenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	CrysalisPro	99.90%	15.34	ROTATING ANODE ()	PHENIX	2021-07-26	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	68.4	-		No	-		87.7	25.3	99.2		-
7rmb	2.00 Å	2021-11-10	X-ray	5Z7	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.89%	19.37%	7.60%	6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	6-[4-(4-bromo-3-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	CrysalisPro	98.40%	14.72	ROTATING ANODE ()	PHENIX	2021-07-27	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	62.5	-		No	-		85.8	21.1	92.8		-
7rme	2.00 Å	2021-11-10	X-ray	5Z3	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.29%	20.35%	4.90%	6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione	6-{4-[4-chloro-3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione	CrysalisPro	99.90%	21.78	ROTATING ANODE ()	PHENIX	2021-07-27	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	55.1	-		No	-		79.3	31.3	74.3		-
7rmt	2.00 Å	2021-11-10	X-ray	5ZN	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.33%	19.57%	6.00%	2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde	2-chloro-4-[4-(2,6-dioxo-1,2,5,6-tetrahydropyrimidine-4-carbonyl)piperazin-1-yl]benzaldehyde	CrysalisPro	99.90%	17.6	ROTATING ANODE ()	PHENIX	2021-07-28	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	64.3	-		No	-		84.6	28.0	90.9		-
7rmz	2.10 Å	2021-11-10	X-ray	5ZJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.22%	18.93%	9.00%	6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione	6-{4-[3-chloro-4-(trifluoromethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(1H,3H)-dione	CrysalisPro	99.80%	11.01	ROTATING ANODE ()	PHENIX	2021-07-28	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	65.0	-		No	-		88.1	23.0	93.8		-
7rn4	1.85 Å	2021-11-10	X-ray	H69	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.56%	18.97%	4.70%	6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	6-[4-(3,4-dichlorophenyl)piperidine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	CrysalisPro	98.20%	24.07	ROTATING ANODE ()	PHENIX	2021-07-29	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	53.5	-		No	-		88.0	21.1	72.7		-
7rnh	2.00 Å	2021-11-10	X-ray	5ZW	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.14%	20.05%	5.90%	6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	6-[4-(4-chlorophenyl)piperazine-1-carbonyl]pyrimidine-2,4(1H,3H)-dione	CrysalisPro	99.60%	21.2	ROTATING ANODE ()	PHENIX	2021-07-29	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	55.3	-		No	-		81.4	23.0	80.9		-
7rnk	2.10 Å	2021-11-10	X-ray	5ZT	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.56%	20.64%	9.90%	6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione	6-{4-[3-chloro-4-(hydroxymethyl)phenyl]piperazine-1-carbonyl}pyrimidine-2,4(3H,5H)-dione	CrysalisPro	99.90%	11.47	ROTATING ANODE ()	PHENIX	2021-07-29	34705466	-	-	-	-	N/A	-	-	3C-like proteinase	54.0	-		No	-		77.0	16.8	88.9		-
7sbl	3.44 Å	2021-11-10	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	42.23%	42.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-25	34698504	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sbt	3.50 Å	2021-11-10	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	43.51%	43.66%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-25	34698504	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sg4	3.43 Å	2021-11-10	Cryo-EM	NAG	SARS-CoV	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-10-04	34726473	-	-	-	-	N/A	-	-	Spike glycoprotein; DH1047 Heavy chain; DH1047 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7bnv	2.35 Å	2021-11-17	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	22.36%	26.46%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.08%	16.34	ESRF (MASSIF-1)	REFMAC; PHENIX	2021-01-22	34211469	-	-	-	-	N/A	-	-	Light Chain; Heavy Chain; Surface glycoprotein	15.8	-		No	-		23.3	14.8	66.6		-
7dfg	2.70 Å	2021-11-17	Cryo-EM	1RP, POP	SARS-CoV-2	NSP7/NSP8/NSP12	Functional ligand	N/A	N/A	N/A	6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide; RNA (5'-R(PAPGPAPUPUPAPAPGPUPUPAPU)-3'); RNA (5'-R(PCPCPCPUPAPUPAPAPCPUPUPAPAPUPCPU)-3'); PYROPHOSPHATE 2-	6-fluoro-3-oxo-4-(5-O-phosphono-beta-D-ribofuranosyl)-3,4-dihydropyrazine-2-carboxamide; PYROPHOSPHATE 2-		-	-	()	PHENIX	2020-11-08	-	ZN; MG	-	-	-	N/A	-	-	RNA (5'-R(PAPGPAPUPUPAPAPGPUPUPAPU)-3'); RNA (5'-R(PCPCPCPUPAPUPAPAPCPUPUPAPAPUPCPU)-3'); RNA-directed RNA polymerase; Non-structural protein 8; Non-structural protein 7	N/A	-		No	-	-	N/A	N/A	N/A	RNA (5'-R(PAPGPAPUPUPAPAPGPUPUPAPU)-3'); RNA (5'-R(PCPCPCPUPAPUPAPAPCPUPUPAPAPUPCPU)-3')	-
7dfh	2.97 Å	2021-11-17	Cryo-EM	POP, RVP	SARS-CoV-2	NSP7/NSP8/NSP12	Functional ligand	N/A	N/A	N/A	PYROPHOSPHATE 2-; RNA (5'-R(PCPCPCPCPCPAPCPAPUPAPGPC)-3'); RNA (5'-R(PGPCPUPAPUPGPUPG*(LIG))-3'); RIBAVIRIN MONOPHOSPHATE	PYROPHOSPHATE 2-; RIBAVIRIN MONOPHOSPHATE		-	-	()		2020-11-08	-	ZN; MG	-	-	-	N/A	-	-	RNA (5'-R(PCPCPCPCPCPAPCPAPUPAPGPC)-3'); RNA-directed RNA polymeras; Non-structural protein 8; Non-structural protein 7; RNA (5'-R(PGPCPUPAPUPGPUPG*(LIG))-3')	N/A	-		No	-	-	N/A	N/A	N/A	RNA (5'-R(PGPCPUPAPUPGPUPG(LIG))-3'); RNA (5'-R(PCPCPCPCPCPAPCPAPUPAPGP*C)-3')	-
7e5s	3.60 Å	2021-11-17	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-02-20	33782529	-	-	-	-	N/A	-	-	P17 light chain; FC05 light chain; FC05 heavy chain; HB27 heavy chain; HB27 light chain; Spike glycoprotein; H014 light chain; H014 heavy chain; P17 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7e9t	10.90 Å	2021-11-17	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-05	34782481	-	-	-	-	N/A	-	-	Spike protein S2	N/A	-		No	-		N/A	N/A	N/A		-
7np1	2.80 Å	2021-11-17	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	23.21%	28.10%	6.29%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.75%	5.79	ESRF (MASSIF-1)	PDB-REDO; PHENIX	2021-02-26	34211469	-	-	-	-	N/A	-	-	Immunoblobulin light chain; Immunoglobulin gamma-1 heavy chain; Spike protein S1	10.7	-		No	-		13.5	42.2	34.7		-
7so9	2.40 Å	2021-11-17	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-10-29	34751595	-	-	-	-	N/A	-	-	Spike glycoprotein; S2M11 Fab heavy chain; S2L20 Fab light chain; S2L20 Fab heavy chain; S2M11 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7soa	3.10 Å	2021-11-17	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-10-29	34751595	-	-	-	-	N/A	-	-	S2L20 Fab heavy chain; Spike glycoprotein; S2L20 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7sob	2.40 Å	2021-11-17	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-10-29	34751595	-	-	-	-	N/A	-	-	S2L20 Fab heavy chain; Spike glycoprotein; S309 Fab heavy chain; S2L20 Fab light chain; S309 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7soc	3.30 Å	2021-11-17	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-10-29	34751595	-	-	-	-	N/A	-	-	S309 Fab light chain; S309 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sod	3.20 Å	2021-11-17	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-10-29	34751595	-	-	-	-	N/A	-	-	S2L20 Fab heavy chain; Spike glycoprotein; S2L20 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7soe	2.80 Å	2021-11-17	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-10-29	34751595	-	-	-	-	N/A	-	-	Spike glycoprotein; S2X303 Fab heavy chain; S2X303 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7sof	3.60 Å	2021-11-17	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-10-29	34751595	-	-	-	-	N/A	-	-	Spike glycoprotein; S2X303 Fab heavy chain; S2X303 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7sqe	2.00 Å	2021-11-17	X-ray	JWX	SARS-CoV-2	NSP3: PLpro	Functional ligand	17.39%	20.47%	9.10%	(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine	(1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine	HKL-3000	98.40%	8.0	APS (19-ID)	REFMAC	2021-11-05	-	ZN	-	-	-	N/A	-	-	Papain-like protease	74.6	-		No	-	-	78.4	55.7	92.7		-
6x45	2.20 Å	2021-11-24	X-ray	-	SARS-CoV-2	Spike	Functional ligand	24.29%	27.84%	N/A	Spike protein S2'; Spike protein S2'	-	XDS	99.50%	9.0	NSLS-II (17-ID-1)	PHENIX	2020-05-22	-	-	-	-	-	N/A	-	-	Spike protein S2'; Spike protein S2'	20.5	-		No	-	-	14.9	12.8	87.9		-
7dgb	1.68 Å	2021-11-24	X-ray	EOF	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.35%	23.89%	11.80%	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide	(2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pentanamide	HKL-3000	98.10%	17.11	SSRF (BL19U1)	PHENIX	2020-11-11	35635946	-	-	-	-	N/A	-	-	3C-like proteinase	32.5	-		No	-		46.1	26.3	68.7		-
7dgf	1.64 Å	2021-11-24	X-ray	H60	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.98%	21.82%	4.20%	(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide	(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide	HKL-3000	96.60%	41.33	ROTATING ANODE ()	PHENIX	2020-11-11	35635946	-	-	-	-	N/A	-	-	3C-like proteinase	38.9	-		No	-		66.8	25.0	62.0		-
7dgg	2.00 Å	2021-11-24	X-ray	H63	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.61%	21.69%	4.70%	(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide	(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide	HKL-3000	92.50%	34.28	SSRF (BL19U1)	PHENIX	2020-11-11	35635946	-	-	-	-	N/A	-	-	3C-like proteinase	63.1	-		No	-		68.2	71.0	61.7		-
7dgh	1.97 Å	2021-11-24	X-ray	H6F	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.58%	23.52%	11.50%	~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide	~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide	HKL-3000	98.60%	11.4	SSRF (BL19U1)	PHENIX	2020-11-11	35635946	-	-	-	-	N/A	-	-	3C-like proteinase	21.1	-		No	-		49.7	22.0	45.3		-
7dgi	1.90 Å	2021-11-24	X-ray	H6L	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.27%	21.29%	17.90%	~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide	~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide	HKL-3000	100.00%	9.52	SSRF (BL19U1)	PHENIX	2020-11-11	35635946	-	-	-	-	N/A	-	-	3C-like proteinase	50.9	-		No	-		71.7	42.8	62.4		-
7dhj	1.96 Å	2021-11-24	X-ray	H6R	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.90%	23.09%	7.90%	(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide	(2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide	HKL-3000	96.70%	21.43	SSRF (BL19U1)	PHENIX	2020-11-15	35635946	-	-	-	-	N/A	-	-	3C-like proteinase	37.8	-		No	-		54.3	29.2	68.1		-
7efp	2.70 Å	2021-11-24	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	18.38%	22.42%	15.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	19.6	SSRF (BL18U1)	PHENIX	2021-03-22	34531369	-	-	-	-	N/A	-	-	Spike glycoprotein - UNP 320-537; Processed angiotensin-converting enzyme 2	46.6	-		No	-		61.0	75.5	32.1		-
7efr	2.49 Å	2021-11-24	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	19.01%	22.89%	12.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	26.0	SSRF (BL18U1)	PHENIX	2021-03-23	34531369	-	-	-	-	N/A	-	-	Spike glycoprotein - UNP residues 321-537; Processed angiotensin-converting enzyme 2	36.6	-		No	-		56.3	52.1	41.0		-
7rdx	3.10 Å	2021-11-24	Cryo-EM	1N7, ADP, AF3	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13	Protein-protein complex	N/A	N/A	N/A	ADENOSINE-5'-DIPHOSPHATE; CHAPSO; ALUMINUM FLUORIDE; Product RNA; Template RNA	CHAPSO; ADENOSINE-5'-DIPHOSPHATE; ALUMINUM FLUORIDE		-	-	()	PHENIX	2021-07-12	35260847	ZN; MG	-	-	-	N/A	-	-	Non-structural protein 7 - UNP residues 3860-3942; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Helicase - UNP residues 5325-5925; Product RNA; Template RNA	N/A	-		No	-		N/A	N/A	N/A	Product RNA; Template RNA	-
7rdz	3.60 Å	2021-11-24	Cryo-EM	ADP	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13	Protein-protein complex	N/A	N/A	N/A	Template RNA; ADENOSINE-5'-DIPHOSPHATE; Product RNA	ADENOSINE-5'-DIPHOSPHATE		-	-	()	PHENIX	2021-07-12	35260847	ZN; MG	-	-	-	N/A	-	-	RNA-directed RNA polymerase - UNP residues 4393-5324; Template RNA; Product RNA; Helicase - UNP residues 5325-5925; Non-structural protein 7 - UNP residues 3860-3942; Non-structural protein 8 - UNP residues 3943-4140	N/A	-		No	-		N/A	N/A	N/A	Product RNA; Template RNA	-
7re3	3.33 Å	2021-11-24	Cryo-EM	ADP, 1N7, AF3	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13	Protein-protein complex	N/A	N/A	N/A	ADENOSINE-5'-DIPHOSPHATE; Template RNA; Product RNA; CHAPSO; ALUMINUM FLUORIDE	ADENOSINE-5'-DIPHOSPHATE; CHAPSO; ALUMINUM FLUORIDE		-	-	()	PHENIX	2021-07-12	35260847	ZN; MG	-	-	-	N/A	-	-	Product RNA; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Non-structural protein 7 - UNP residues 3860-3942; Helicase - UNP residues 5325-5925; Template RNA	N/A	-		No	-		N/A	N/A	N/A	Product RNA; Template RNA	-
7vnb	2.27 Å	2021-11-24	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	17.67%	20.33%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	11.1	SSRF (BL17U1)	PHENIX	2021-10-10	34732694	-	-	-	-	N/A	-	-	Spike protein S1; n3113	66.3	-		No	-		79.4	66.7	61.6		-
7vnc	3.70 Å	2021-11-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-10-10	34732694	-	-	-	-	N/A	-	-	Spike glycoprotein; n3113	N/A	-		No	-		N/A	N/A	N/A		-
7vnd	3.60 Å	2021-11-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-10-10	34732694	-	-	-	-	N/A	-	-	n3113; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7vne	3.50 Å	2021-11-24	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-10-10	34732694	-	-	-	-	N/A	-	-	n3113.1; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7vx1	3.50 Å	2021-11-24	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7vx9	4.00 Å	2021-11-24	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7vxa	3.90 Å	2021-11-24	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7b0b	2.98 Å	2021-12-01	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	20.90%	24.62%	N/A		-	HKL-3000	77.27%	4.1	ROTATING ANODE ()	PHENIX	2020-11-19	-	-	-	-	-	N/A	-	-	Surface glycoprotein; IGK@ protein; Fab heavy chain	30.3	-		No	-	-	38.9	81.7	16.0		-
7dg6	2.40 Å	2021-12-01	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.54%	23.26%	N/A		-	XDS	99.47%	10.54	ROTATING ANODE ()	PHENIX	2020-11-11	-	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab - UNP residues 3264-3565	58.1	-		No	-	-	52.5	48.5	89.8		-
7rdy	3.10 Å	2021-12-01	Cryo-EM	ADP, AF3, 1N7	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13	Protein-protein complex	N/A	N/A	N/A	Template RNA; CHAPSO; ALUMINUM FLUORIDE; Product RNA; ADENOSINE-5'-DIPHOSPHATE	ADENOSINE-5'-DIPHOSPHATE; ALUMINUM FLUORIDE; CHAPSO		-	-	()	PHENIX	2021-07-12	35260847	ZN; MG	-	-	-	N/A	-	-	Template RNA; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Non-structural protein 7 - UNP residues 3860-3942; Helicase; Product RNA	N/A	-		No	-		N/A	N/A	N/A	Product RNA; Template RNA	-
7re0	3.50 Å	2021-12-01	Cryo-EM	AF3, ADP	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13	Protein-protein complex	N/A	N/A	N/A	ALUMINUM FLUORIDE; ADENOSINE-5'-DIPHOSPHATE; Template RNA; Product RNA	ALUMINUM FLUORIDE; ADENOSINE-5'-DIPHOSPHATE		-	-	()	PHENIX	2021-07-12	35260847	MG; ZN	-	-	-	N/A	-	-	Product RNA; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Non-structural protein 7 - UNP residues 3860-3942; Helicase - UNP residues 5325-5925; Template RNA	N/A	-		No	-		N/A	N/A	N/A	Template RNA; Product RNA	-
7re1	2.91 Å	2021-12-01	Cryo-EM	AF3, 1N7, ADP	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13	Protein-protein complex	N/A	N/A	N/A	ADENOSINE-5'-DIPHOSPHATE; Template RNA; Product RNA; ALUMINUM FLUORIDE; CHAPSO	ALUMINUM FLUORIDE; CHAPSO; ADENOSINE-5'-DIPHOSPHATE		-	-	()	PHENIX	2021-07-12	35260847	MG; ZN	-	-	-	N/A	-	-	Product RNA; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Non-structural protein 7 - UNP residues 3860-3942; Helicase; Template RNA	N/A	-		No	-		N/A	N/A	N/A	Template RNA; Product RNA	-
7re2	3.17 Å	2021-12-01	Cryo-EM	1N7, ADP, AF3	SARS-CoV-2	NSP7/NSP8/NSP12/NSP13	Protein-protein complex	N/A	N/A	N/A	ALUMINUM FLUORIDE; CHAPSO; Template RNA; Product RNA; ADENOSINE-5'-DIPHOSPHATE	CHAPSO; ADENOSINE-5'-DIPHOSPHATE; ALUMINUM FLUORIDE		-	-	()	PHENIX	2021-07-12	35260847	ZN; MG	-	-	-	N/A	-	-	Helicase - UNP residues 5325-5925; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Template RNA; Product RNA; Non-structural protein 7 - UNP residues 3860-3942	N/A	-		No	-		N/A	N/A	N/A	Product RNA; Template RNA	-
7vx4	3.90 Å	2021-12-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-12	34930910	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7vx5	3.80 Å	2021-12-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-12	34930910	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7vxd	4.00 Å	2021-12-01	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7vxe	3.20 Å	2021-12-01	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7vxf	3.60 Å	2021-12-01	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7dk2	3.00 Å	2021-12-08	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	25.77%	30.39%	19.90%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.50%	4.0	SSRF (BL19U1)	PHENIX	2020-11-22	-	-	-	-	-	N/A	-	-	MW07 heavy chain; MW07 light chain; Spike protein S1 - Receptor Binding Domain	28.0	-		No	-	-	6.7	74.8	50.1		-
7sn0	3.08 Å	2021-12-08	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	23.47%	28.60%	24.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.90%	5.29	APS (24-ID-C)	BUSTER	2021-10-27	34855508	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Surface glycoprotein	22.1	-		No	-		11.4	75.5	32.3		-
7sn2	4.30 Å	2021-12-08	Cryo-EM	-	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-10-27	34855508	-	-	-	-	N/A	-	-	neutralizing antibody C1C-A3 Fab light chain; neutralizing antibody C1C-A3 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sn3	3.10 Å	2021-12-08	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-10-27	34855508	-	-	-	-	N/A	-	-	neutralizing antibody C1C-A3 heavy chain variable region; neutralizing antibody C1C-A3 light chain variable region; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7doi	2.60 Å	2021-12-15	Cryo-EM	POP, HCU	SARS-CoV-2	NSP7/NSP8/NSP12	Functional ligand	N/A	N/A	N/A	RNA (5'-R(PAPGPAPUPUPAPAPGPUPUPAPU)-3'); [(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate; PYROPHOSPHATE 2-; RNA (5'-R(PCPCPUPAPUPAPAPCPUPUPAPAPUPCP*U)-3')	PYROPHOSPHATE 2-; [(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate		-	-	()	PHENIX	2020-12-14	-	ZN; MG	-	-	-	N/A	-	-	RNA (5'-R(PAPGPAPUPUPAPAPGPUPUPAPU)-3'); RNA (5'-R(PCPCPUPAPUPAPAPCPUPUPAPAPUPCP*U)-3'); Non-structural protein 7; Non-structural protein 8; RNA-directed RNA polymerase	N/A	-		No	-	-	N/A	N/A	N/A	RNA (5'-R(PAPGPAPUPUPAPAPGPUPUPAPU)-3'); RNA (5'-R(PCPCPUPAPUPAPAPCPUPUPAPAPUPCP*U)-3')	-
7dok	2.73 Å	2021-12-15	Cryo-EM	HCU, POP	SARS-CoV-2	NSP7/NSP8/NSP12	Functional ligand	N/A	N/A	N/A	[(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate; RNA (5'-R(PCPCPCPUPAPUPAPAPCPUPUPAPAPUPCPUPCPAPCPAPUPAPGPC)-3'); RNA (5'-R(PGPCPUPAPUPGPUPGPAPGPAPUPUPAPAPGPUPUPAPU)-3'); PYROPHOSPHATE 2-	[(2R)-4-(2-azanyl-6-oxidanylidene-3H-purin-9-yl)-2-(hydroxymethyl)butyl] dihydrogen phosphate; PYROPHOSPHATE 2-		-	-	()	PHENIX	2020-12-14	-	MG; ZN	-	-	-	N/A	-	-	RNA (5'-R(PGPCPUPAPUPGPUPGPAPGPAPUPUPAPAPGPUPUPAPU)-3'); Non-structural protein 7; Non-structural protein 8; RNA-directed RNA polymerase; RNA (5'-R(PCPCPCPUPAPUPAPAPCPUPUPAPAPUPCPUPCPAPCPAPUPAPGPC)-3')	N/A	-		No	-	-	N/A	N/A	N/A	RNA (5'-R(PGPCPUPAPUPGPUPGPAPGPAPUPUPAPAPGPUPUPAPU)-3'); RNA (5'-R(PCPCPCPUPAPUPAPAPCPUPUPAPAPUPCPUPCPAPCPAPUPAPGPC)-3')	-
7fem	4.10 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-07-21	34750362	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7fet	3.70 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-07-21	34750362	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7pry	3.10 Å	2021-12-15	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	24.45%	29.09%	24.60%		-	xia2	100.00%	6.6	Diamond (I03)	PHENIX	2021-09-22	34921776	-	-	-	-	N/A	-	-	COVOX-45 Fab light chain; COVOX-45 Fab heavy chain; Spike protein S1; Beta-6 Fab light chain; Beta-6 Fab heavy chain	14.4	-		No	-		9.7	33.6	57.9		-
7prz	3.20 Å	2021-12-15	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	19.04%	22.29%	47.30%		-	xia2	99.80%	9.4	Diamond (I03)	PHENIX	2021-09-22	34921776	-	-	-	-	N/A	-	-	Beta-22 Fab light chain; Beta-22 Fab heavy chain; Spike protein S1	32.3	-		No	-		62.4	19.1	59.0		-
7ps0	2.92 Å	2021-12-15	X-ray	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	22.21%	27.05%	48.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.70%	4.8	Diamond (I03)	PHENIX	2021-09-22	34921776	-	-	-	-	N/A	-	-	Spike protein S1; Beta-24 light chain; Beta-24 heavy chain	27.7	-		No	-		19.2	47.1	64.7		-
7ps1	2.40 Å	2021-12-15	X-ray	IOD, NAG	SARS-CoV-2	Spike	Pathogen-host interaction	18.39%	21.51%	18.10%	IODIDE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	IODIDE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	96.70%	8.6	Diamond (I03)	PHENIX	2021-09-22	34921776	-	-	-	-	N/A	-	-	Spike protein S1; Beta-27 Fab light chain; Beta-27 Fab heavy chain	64.6	-		No	-		69.6	43.3	91.0		-
7ps2	2.99 Å	2021-12-15	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	23.31%	26.61%	29.30%		-	xia2	99.90%	8.5	Diamond (I03)	PHENIX	2021-09-22	34921776	-	-	-	-	N/A	-	-	Beta-29 Fab light chain; Beta-53 Fab light chain; Beta-53 heavy chain; Beta-29 Fab heavy chain; Spike protein S1	7.7	-		No	-		22.1	12.1	46.6		-
7ps4	1.94 Å	2021-12-15	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	20.35%	23.12%	6.50%	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	-	xia2	98.00%	17.1	Diamond (I03)	PHENIX	2021-09-22	34921776	-	-	-	-	N/A	-	-	Beta-38 Fab heavy chain; Beta-38 Fab light chain; Spike protein S1	-	-		No	-		53.8	-	80.5		-
7ps5	3.14 Å	2021-12-15	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	22.55%	27.38%	22.90%		-	xia2	100.00%	7.8	Diamond (I03)	PHENIX	2021-09-22	34921776	-	-	-	-	N/A	-	-	Beta-47 Fab light chain; Spike protein S1; Beta-47 Fab heavy chain	30.3	-		No	-		17.4	55.3	63.8		-
7ps6	2.26 Å	2021-12-15	X-ray	PG0	SARS-CoV-2	Spike	Pathogen-host interaction	21.53%	24.01%	9.60%	2-(2-METHOXYETHOXY)ETHANOL	2-(2-METHOXYETHOXY)ETHANOL	xia2	99.50%	14.2	Diamond (I03)	PHENIX	2021-09-22	34921776	-	-	-	-	N/A	-	-	Spike protein S1; Beta-44 Fab light chain; Beta-44 Fab heavy chain; Beta-54 Fab heavy chain; Beta-54 Fab light chain	57.5	-		No	-		44.7	63.4	81.5		-
7ps7	3.90 Å	2021-12-15	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	23.33%	28.40%	38.90%		-	xia2	99.40%	4.9	Diamond (I03)	PHENIX	2021-09-22	34921776	-	-	-	-	N/A	-	-	Beta-40 Fab light chain; Beta-40 heavy chain; Spike protein S1	5.7	-		No	-		12.3	29.8	31.0		-
7q6e	2.70 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-11-07	34921776	-	-	-	-	N/A	-	-	Spike glycoprotein; Beta-49 light chain; Beta-49 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7q9f	3.60 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-12	34921776	-	-	-	-	N/A	-	-	Spike glycoprotein; Beta-50 light chain; Beta-50 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7q9g	3.30 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-12	34921776	-	-	-	-	N/A	-	-	Spike glycoprotein; COVOX-222 heavy chain; COVOX-222 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7q9i	4.90 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-12	34921776	-	-	-	-	N/A	-	-	Spike glycoprotein; Beta-43 heavy chain; Beta-43 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7q9j	4.00 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-12	34921776	-	-	-	-	N/A	-	-	Spike glycoprotein; Beta-26 heavy chain; Beta-26 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7q9k	4.50 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-11-12	34921776	-	-	-	-	N/A	-	-	Beta-32 light chain; Spike glycoprotein; Beta-32 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7q9m	3.70 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-12	34921776	-	-	-	-	N/A	-	-	Spike glycoprotein; Beta-53 fab heavy chain; Beta-53 fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7q9p	4.50 Å	2021-12-15	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-11-12	34921776	-	-	-	-	N/A	-	-	Spike glycoprotein; Beta-06 light chain; Beta-06 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7qg7	1.72 Å	2021-12-15	X-ray	U08	SARS-CoV-2	NSP3: Macro	Functional ligand	18.31%	22.58%	N/A	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile	(2~{R},3~{R},4~{S},5~{R})-2-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolane-2-carbonitrile	XDS	99.90%	12.09	BESSY (14.2)	PHENIX; PHENIX	2021-12-07	35839840	-	-	-	-	N/A	-	-	ORF1a polyprotein	63.1	-		No	-		59.5	63.4	78.0		-
7rpv	3.54 Å	2021-12-15	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	24.35%	29.18%	22.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	97.70%	3.5	SSRL (BL9-2)	PHENIX	2021-08-04	34845451	ZN	-	-	-	N/A	-	-	Spike protein S1; Processed angiotensin-converting enzyme 2	34.7	-		No	-		9.4	93.4	42.7		-
7fae	3.65 Å	2021-12-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-07-06	34966387	-	-	-	-	N/A	-	-	P36-5D2 heavy chain; Spike glycoprotein; P36-5D2 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7faf	3.69 Å	2021-12-22	Cryo-EM	-	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		-		-	-	()		2021-07-06	34966387	-	-	-	-	N/A	-	-	P36-5D2 light chain; Spike glycoprotein; P36-5D2 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7mlf	2.60 Å	2021-12-22	X-ray	C7A	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.04%	27.85%	N/A	N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide	N-(4-tert-butylphenyl)-2-chloro-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]acetamide	DIALS	93.18%	6.0	CLSI (08B1-1)	REFMAC	2021-04-28	34995923	-	-	-	-	N/A	-	-	3C-like proteinase - UNP residues 3264-3567	57.0	-		No	-		14.8	78.5	95.3		-
7mlg	2.50 Å	2021-12-22	X-ray	ZJ1	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.40%	26.80%	N/A	(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide	(2R)-2-[(4-tert-butylphenyl)(ethanesulfonyl)amino]-N-cyclohexyl-2-(pyridin-3-yl)acetamide	DIALS	97.90%	12.52	APS (24-ID-C)	REFMAC	2021-04-28	34995923	-	-	-	-	N/A	-	-	3C-like proteinase - UNP residues 3264-3569	34.1	-		No	-		20.8	45.4	78.1		-
7q0g	1.82 Å	2021-12-22	X-ray	K, TAR	SARS-CoV-2	Spike	Pathogen-host interaction	19.17%	22.41%	9.50%	POTASSIUM ION; D(-)-TARTARIC ACID	POTASSIUM ION; D(-)-TARTARIC ACID	xia2	94.90%	18.3	Diamond (I03)	PHENIX	2021-10-14	34921776	K	-	-	-	N/A	-	-	FI-3A Fab heavy chain; Beta-49 Fab light chain; Beta-49 Fab heavy chain; Spike protein S1; FI-3A Fab light chain	67.1	-		No	-		61.0	66.2	82.1		-
7q0h	3.65 Å	2021-12-22	X-ray	-	SARS-CoV-2	Spike	Pathogen-host interaction	25.47%	30.28%	55.00%		-	xia2	100.00%	3.7	Diamond (I03)	PHENIX	2021-10-14	34921776	-	-	-	-	N/A	-	-	Beta-50 Fab light chain; Beta-54 Fab light chain; Beta-54 Fab heavy chain; Spike protein S1; Beta-50 Fab heavy chain	12.1	-		No	-		6.9	28.8	59.2		-
7q0i	2.39 Å	2021-12-22	X-ray	PO4, NAG, PG4	SARS-CoV-2	Spike	Pathogen-host interaction	20.19%	24.20%	14.40%	2-acetamido-2-deoxy-beta-D-glucopyranose; PHOSPHATE ION	PHOSPHATE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose; TETRAETHYLENE GLYCOL	xia2	93.60%	9.8	Diamond (I03)	PHENIX	2021-10-14	34921776	-	-	-	-	N/A	-	-	Spike protein S1; Beta-43 Fab light chain; Beta-43 heavy chain	27.8	-		No	-		42.9	20.0	68.3		-
7t3y	1.90 Å	2021-12-22	X-ray	F8C, F5L	MERS-CoV	NSP5 (3CLpro)	Functional ligand	20.50%	25.80%	6.00%	(1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	99.90%	14.8	APS (17-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	21.2	-		No	-		28.1	27.7	61.3		-
7t3z	1.95 Å	2021-12-22	X-ray	FEY, FHS	MERS-CoV	NSP5 (3CLpro)	Functional ligand	15.70%	20.60%	11.30%	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid	(1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid	XDS	97.70%	10.2	APS (17-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	81.7	-		No	-		77.3	93.3	78.5		-
7t40	1.70 Å	2021-12-22	X-ray	FVE, FV5, PG4	MERS-CoV	NSP5 (3CLpro)	Functional ligand	15.60%	19.50%	6.50%	(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	99.50%	10.5	APS (17-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	82.4	-		No	-		84.9	83.5	83.3		-
7t41	2.10 Å	2021-12-22	X-ray	FWI, FZI	MERS-CoV	NSP5 (3CLpro)	Functional ligand	16.50%	23.70%	12.20%	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid; (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid	XDS	97.60%	7.9	NSLS-II (19-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	71.8	-		No	-		47.7	88.6	83.6		-
7t42	1.60 Å	2021-12-22	X-ray	FIK, PG4, FIW	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.00%	21.20%	8.80%	(1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-[(N-{[(2-acetyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL; (1R,2S)-1-hydroxy-2-{[N-({[2-(2-methylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	99.70%	9.7	NSLS-II (19-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase	71.3	-		No	-		72.3	57.3	88.9		-
7t43	1.70 Å	2021-12-22	X-ray	FN2, FP8, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.70%	21.30%	4.90%	(1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-[(N-{[(2-methyl-2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	97.60%	9.9	NSLS-II (19-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase	79.9	-		No	-		71.4	80.8	90.3		-
7t44	1.45 Å	2021-12-22	X-ray	ET6, ESS, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.50%	22.60%	6.50%	(1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-1-hydroxy-2-{[N-({[2-(methanesulfonyl)-2-azaspiro[3.3]heptan-6-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-2-[(N-{[(2-azaspiro[3.3]heptan-6-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	98.70%	10.0	NSLS-II (19-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase	61.4	-		No	-		59.1	49.6	88.7		-
7t45	1.65 Å	2021-12-22	X-ray	EW9, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.45%	22.05%	5.30%	(1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-{[N-({[7-(tert-butoxycarbonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	99.60%	11.1	APS (17-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase	61.2	-		No	-		64.6	51.3	81.0		-
7t46	1.45 Å	2021-12-22	X-ray	F8C, F5L	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.90%	19.30%	4.70%	(1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	99.60%	10.6	APS (17-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	77.1	-		No	-		86.1	68.2	79.4		-
7t48	1.90 Å	2021-12-22	X-ray	FHS, FEY	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.20%	24.20%	9.60%	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[7-(phenylacetyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid; (1R,2S)-2-{[N-({[(2r,4R)-7-acetyl-7-azaspiro[3.5]non-5-en-2-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	99.00%	8.4	APS (17-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	69.7	-		No	-		42.9	93.3	79.0		-
7t49	1.75 Å	2021-12-22	X-ray	FV5, FVE	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.00%	24.10%	5.90%	(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1R,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-1-hydroxy-2-{[N-({[7-(methanesulfonyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	98.90%	10.1	APS (17-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	64.5	-		No	-		43.8	80.8	79.3		-
7t4a	1.80 Å	2021-12-22	X-ray	PO4, EQS, EO6, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.40%	22.50%	5.00%	PHOSPHATE ION; (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	PHOSPHATE ION; (1S,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-2-[(N-{[(7-cyano-7-azaspiro[3.5]nonan-2-yl)oxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	99.40%	12.7	APS (17-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase	76.8	-		No	-		60.1	82.9	89.7		-
7t4b	1.60 Å	2021-12-22	X-ray	FZI, FWI, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.50%	21.60%	5.80%	(1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid	(1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid; (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)azetidin-3-yl]methoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	99.20%	11.5	NSLS-II (19-ID)	PHENIX	2021-12-09	35638577	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	69.9	-		No	-		68.8	63.6	82.9		-
7vxb	3.90 Å	2021-12-22	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7vxc	3.90 Å	2021-12-22	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7vxi	3.40 Å	2021-12-22	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7vxk	3.70 Å	2021-12-22	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-12	34930910	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7dqa	2.80 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2020-12-22	-	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7dr8	2.34 Å	2021-12-29	X-ray	-	MERS-CoV	NSP5 (3CLpro)	No functional ligands	21.36%	26.70%	N/A		-	DENZO	100.00%	13.7	SSRF (BL17U1)	PHENIX	2020-12-26	-	-	-	-	-	N/A	-	-	3C-like proteinase	16.4	-		No	-	-	21.7	27.8	56.6		-
7dr9	2.78 Å	2021-12-29	X-ray	-	MERS-CoV	NSP5 (3CLpro)	No functional ligands	22.33%	27.18%	N/A		-	AUTOMAR	96.80%	13.4	SSRF (BL17U1)	PHENIX	2020-12-27	-	-	-	-	-	N/A	-	-	3C-like proteinase	19.0	-		No	-	-	18.6	46.0	47.7		-
7dra	2.78 Å	2021-12-29	X-ray	-	MERS-CoV	NSP5 (3CLpro)	No functional ligands	21.87%	26.15%	N/A		-	CrysalisPro	96.70%	12.9	SSRF (BL17U1)	PHENIX	2020-12-27	-	-	-	-	-	N/A	-	-	3C-like proteinase	27.5	-		No	-	-	25.5	57.4	47.6		-
7sxr	3.00 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sxs	2.64 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sxt	2.31 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sxu	3.00 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sxv	2.79 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sxw	2.85 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sxx	2.66 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7sxy	2.79 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sxz	2.61 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7sy0	3.00 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7sy1	2.83 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sy2	3.11 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-11-24	34914928	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sy3	2.95 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7sy4	3.35 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7sy5	2.59 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7sy6	2.81 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7sy7	2.81 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7sy8	3.14 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-11-24	34914928	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7t9j	2.79 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-12-19	35050643	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7t9k	2.45 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-12-19	35050643	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7t9l	2.66 Å	2021-12-29	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-12-19	35050643	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7t9w	2.20 Å	2021-12-29	X-ray	-	SARS-CoV-2	NSP3(C-term)	No functional ligands	26.16%	31.62%	10.40%		-	HKL-3000	100.00%	17.4	ROTATING ANODE ()	PHENIX	2021-12-20	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - BSM (Betacoronavirus-Specific Marker) domain	25.2	-		No	-	-	5.3	72.0	48.5		-
7spo	1.92 Å	2022-01-05	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	19.04%	22.63%	4.60%		-	XDS	99.90%	19.6	APS (24-ID-C)	PHENIX	2021-11-02	34916516	-	-	-	-	N/A	-	-	VNAR 3B4; Spike protein S1	50.2	-		No	-		58.8	35.9	80.8		-
7spp	1.96 Å	2022-01-05	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	18.80%	22.43%	5.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.70%	11.4	APS (24-ID-C)	PHENIX	2021-11-02	34916516	-	-	-	-	N/A	-	-	VNAR 2C02; Spike protein S1	42.2	-		No	-		60.9	15.0	84.3		-
7sjs	1.61 Å	2022-01-05	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	17.39%	20.63%	7.90%	stem helix peptide of Spike protein S2'	-	HKL-2000	97.00%	8.9	SSRL (BL12-1)	PHENIX	2021-11-02	35133175	-	-	-	-	N/A	-	-	CC40.8 Fab light chain; CC40.8 Fab heavy chain; stem helix peptide of Spike protein S2'	76.2	-		No	-		77.1	67.8	86.3		-
7tas	3.20 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	34990214	-	-	-	-	N/A	-	-	S2K146 Fab light chain; S2K146 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tat	3.20 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-11-02	34990214	-	-	-	-	N/A	-	-	S2K146 Fab heavy chain; Spike glycoprotein; S2K146 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7tb4	3.29 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	33655252	-	-	-	-	N/A	-	-	Surface glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7te0	2.00 Å	2022-01-05	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.91%	24.76%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	PROTEUM PLUS	94.60%	15.9	ROTATING ANODE ()	PHENIX	2021-11-02	35731933	-	-	-	-	N/A	-	-	3C-like proteinase	28.9	-		No	-		37.6	28.0	68.0		-
7vxm	3.60 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-02	34930910	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7w92	3.10 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	35169135	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7w94	3.40 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	35169135	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7w98	3.60 Å	2022-01-05	Cryo-EM	-	SARS-CoV	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	35169135	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7w99	3.40 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	35169135	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7w9b	3.40 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	35169135	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7w9c	3.20 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	35169135	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7w9e	3.10 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	35169135	-	-	-	-	N/A	-	-	Anti-H5N1 hemagglutinin monoclonal anitbody H5M9 heavy chain; Spike glycoprotein; The light chain of 8D3 fab	N/A	-		No	-		N/A	N/A	N/A		-
7w9f	3.60 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	35169135	-	-	-	-	N/A	-	-	The heavy chain of 8D3; Spike protein S1; The light chain of 8D3	N/A	-		No	-		N/A	N/A	N/A		-
7w9i	3.40 Å	2022-01-05	Cryo-EM	-	SARS-CoV	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	35169135	-	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7dvp	1.69 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.90%	21.87%	5.10%	nsp4/5 peptidyl substrate	-	XDS	87.20%	13.71	SSRF (BL19U1)	PHENIX	2021-11-02	35380892	-	-	-	-	N/A	-	-	3C-like proteinase; nsp4/5 peptidyl substrate	61.3	-		No	-		66.4	44.0	86.8		-
7dvw	1.49 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	13.95%	17.26%	4.90%	nsp5/6 peptidyl substrate	-	XDS	97.80%	19.72	SSRF (BL19U1)	PHENIX	2021-11-02	35380892	-	-	-	-	N/A	-	-	nsp5/6 peptidyl substrate; 3C-like proteinase	60.3	-		No	-		94.5	15.6	85.0		-
7dvx	1.80 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.94%	24.72%	5.60%	nsp6/7 peptidyl substrate	-	XDS	98.30%	13.78	SSRF (BL19U1)	PHENIX	2021-11-02	35380892	-	-	-	-	N/A	-	-	3C-like proteinase; nsp6/7 peptidyl substrate	36.4	-		No	-		37.9	38.7	72.4		-
7dvy	1.80 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.51%	21.63%	6.80%	nsp9/10 peptidyl substrate	-	XDS	95.30%	10.91	SSRF (BL19U1)	PHENIX	2021-11-02	35380892	-	-	-	-	N/A	-	-	3C-like proteinase; nsp9/10 peptidyl substrate	70.5	-		No	-		68.6	69.6	78.7		-
7dw0	1.81 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.45%	20.77%	5.80%	nsp15/16 peptidyl substrate	-	xia2	99.70%	15.4	SSRF (BL19U1)	PHENIX	2021-11-02	35380892	-	-	-	-	N/A	-	-	3C-like proteinase; nsp15/16 peptidyl substrate	49.0	-		No	-		76.0	31.6	65.5		-
7dw6	1.70 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.62%	22.09%	4.00%	nsp14/15 peptidyl substrate	-	XDS	95.80%	16.15	SSRF (BL19U1)	PHENIX	2021-11-02	35380892	-	-	-	-	N/A	-	-	3C-like proteinase; nsp14/15 peptidyl substrate	43.0	-		No	-		64.4	19.4	78.0		-
7f5f	1.62 Å	2022-01-05	X-ray	CA	SARS-CoV-2	ORF8	No functional ligands	17.43%	20.50%	N/A		CALCIUM ION	HKL-3000	100.00%	58.9	SSRF (BL19U1)	PHENIX	2021-11-02	34975921	CA	-	-	-	N/A	-	-	ORF8 protein	63.3	-		No	-		78.0	23.5	99.7		-
7f8l	1.76 Å	2022-01-05	X-ray	CA	Bat-CoV-RaTG13	ORF8	No functional ligands	18.14%	22.60%	N/A	CALCIUM ION	CALCIUM ION		95.89%	17.2	SSRF (BL19U1)	PHENIX	2021-11-02	34975921	CA	-	-	-	N/A	-	-	Nonstructural protein NS8	40.6	-		No	-		59.1	46.4	51.5		-
7msq	2.29 Å	2022-01-05	X-ray	SCN	SARS-CoV-2	Spike	Protein-protein complex	19.42%	24.47%	7.50%	THIOCYANATE ION	THIOCYANATE ION	XDS	99.80%	22.5	Australian Synchrotron (MX2)	REFMAC	2021-11-02	34788600	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain; AB-3467 Fab Light Chain; AB-3467 Fab Heavy Chain	28.0	-		No	-		40.5	35.0	56.2		-
7pki	2.94 Å	2022-01-05	X-ray	NAG, TRS	cave bat sarbecovirus	Spike	Protein-protein complex	21.44%	22.72%	5.00%	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	XDS	86.98%	11.42	SOLEIL (PROXIMA 1)	PHENIX	2021-11-02	35172323	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; BANAL 236 coronavirus spike receptor-binding domain	70.8	-		No	-		57.9	85.2	74.2		-
7pku	-	2022-01-05	NMR	-	SARS-CoV-2	NSP3(Ubl1)/Nucleocapsid	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	35044811	-	-	-	-	N/A	-	-	Nucleoprotein; 3C-like proteinase	N/A	-		No	-		N/A	N/A	N/A		-
7qnw	2.40 Å	2022-01-05	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	20.56%	24.74%	33.90%		-	xia2	100.00%	8.5	Diamond (I03)	PHENIX	2021-11-02	35081335	-	-	-	-	N/A	-	-	EY6A light chain; Surface glycoprotein; Beta-55 heavy chain; Beta-55 light chain; EY6A heavy chain	37.2	-		No	-		37.7	45.2	67.5		-
7qnx	2.92 Å	2022-01-05	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	22.86%	26.63%	55.40%		-	xia2	99.90%	3.8	Diamond (I03)	PHENIX	2021-11-02	35081335	-	-	-	-	N/A	-	-	EY6A light chain; EY6A heavy chain; Beta-55 heavy chain; Beta-55 light chain; Surface glycoprotein	28.2	-		No	-		22.0	32.4	77.8		-
7qny	2.84 Å	2022-01-05	X-ray	NAG, NA	SARS-CoV-2	Spike	Protein-protein complex	22.64%	27.83%	29.00%	2-acetamido-2-deoxy-beta-D-glucopyranose; SODIUM ION	2-acetamido-2-deoxy-beta-D-glucopyranose; SODIUM ION	xia2	100.00%	5.0	Diamond (I03)	PHENIX	2021-11-02	35081335	-	-	-	-	N/A	-	-	COVOX-158 light chain; Surface glycoprotein; COVOX-158 heavy chain; COVOX-58 heavy chain; COVOX-58 light chain	20.6	-		No	-		14.9	26.6	74.3		-
7qo7	3.02 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	Surface glycoprotein,Fibritin,SARS-CoV-2 S Omicron Spike B.1.1.529	N/A	-		No	-	-	N/A	N/A	N/A		-
7thh	1.32 Å	2022-01-05	X-ray	IOD, P6G	SARS-CoV-2	NSP3(Cleavage_domain, PLpro)	No functional ligands	14.46%	19.09%	13.60%	HEXAETHYLENE GLYCOL; IODIDE ION	IODIDE ION; HEXAETHYLENE GLYCOL	HKL-3000	99.30%	6.3	APS (19-ID)	REFMAC	2021-11-02	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - SUD-C and Ubl2 domains, residues 1496-1623	80.5	-		No	-	-	87.3	71.4	85.8		-
7vph	2.80 Å	2022-01-05	X-ray	-	SARS-CoV-2	ORF6	Protein-protein complex	19.24%	24.42%	N/A	ORF6 protein	-	HKL-2000	99.32%	1.0	SSRF (BL17U1)	PHENIX	2021-11-02	35096974	-	-	-	-	N/A	-	-	mRNA export factor; ORF6 protein; Isoform 3 of Nuclear pore complex protein Nup98-Nup96	32.0	-		No	-		40.8	75.5	23.6		-
7wbl	3.40 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35093192	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7wbp	3.00 Å	2022-01-05	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	18.09%	20.37%	19.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.90%	10.6	SSRF (BL02U1)	PHENIX	2021-11-02	35093192	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	77.0	-		No	-		79.1	75.5	78.7		-
7wbq	3.34 Å	2022-01-05	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	19.74%	22.64%	16.20%	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; beta-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	9.4	SSRF (BL02U1)	PHENIX	2021-11-02	35093192	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1	46.8	-		No	-		58.7	46.9	63.3		-
7dyd	2.39 Å	2022-01-05	X-ray	EY3	MERS-CoV	Nucleocapsid	Functional ligand	25.78%	29.52%	9.10%	5-propan-2-yloxy-1H-indole	5-propan-2-yloxy-1H-indole	HKL-2000	98.80%	7.8	NSRRC (TPS 05A)	PHENIX	2021-11-02	35517857	-	-	-	-	N/A	-	-	Nucleoprotein	-	-		No	-		8.4	-	25.5		-
7fcd	3.90 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-11-02	35017654	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7fce	3.10 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-11-02	35017654	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7nwx	1.80 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.41%	24.45%	12.00%		-	XDS	99.70%	13.4	SEALED TUBE ()	PHENIX	2021-11-02	34278402	ZN	-	-	-	N/A	-	-	Replicase polyprotein 1a	42.3	-		No	-		40.6	56.1	63.7		-
7nxh	2.10 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	21.65%	26.80%	17.00%		-	XDS	95.40%	8.48	SEALED TUBE ()	PHENIX	2021-11-02	34278402	-	-	-	-	N/A	-	-	3C-like proteinase	16.7	-		No	-		20.8	20.3	65.8		-
7od3	2.80 Å	2022-01-05	Cryo-EM	EIC, NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35017512	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7odl	3.03 Å	2022-01-05	Cryo-EM	EIC, NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35017512	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7qgi	1.65 Å	2022-01-05	X-ray	PO4	SARS-CoV-2	NSP14	No functional ligands	19.71%	21.99%	12.50%	PHOSPHATE ION	PHOSPHATE ION	XDS	89.20%	9.2	Diamond (I04-1)	PHENIX; PHENIX	2021-11-02	36546776	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	44.7	-		No	-		64.5	22.2	78.1		-
7qo9	3.88 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	Spike glycoprotein,SARS-CoV-2 S Omicron Spike B.1.1.529	N/A	-		No	-	-	N/A	N/A	N/A		-
7ti9	2.73 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP3: Ubl1	No functional ligands	22.21%	24.86%	6.30%		-	HKL-3000	98.00%	29.2	ROTATING ANODE ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - ubiquitin-like domain 1 (Ubl1)	37.0	-		No	-	-	36.6	71.4	42.0		-
7tll	1.63 Å	2022-01-05	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	21.11%	24.98%	5.60%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	78.00%	11.5	APS (17-ID)	BUSTER	2021-11-02	35461811	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	42.7	-		No	-		35.5	38.3	87.2		-
7vjw	2.20 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	22.41%	28.15%	N/A		-	CrystFEL	100.00%	4.5	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	20.7	-		No	-	-	13.4	57.3	45.4		-
7vjx	2.20 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	25.57%	28.68%	N/A		-	CrystFEL	100.00%	9.8	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	20.4	-		No	-	-	11.2	31.6	72.7		-
7vjy	1.90 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	23.29%	27.84%	N/A		-	CrystFEL	100.00%	6.0	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	3.2	-		No	-	-	14.9	11.7	34.4		-
7vjz	1.90 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	21.73%	25.00%	N/A		-	CrystFEL	100.00%	7.4	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	26.4	-		No	-	-	35.1	11.3	81.9		-
7vk0	2.10 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	23.67%	24.20%	N/A		-	CrystFEL	100.00%	7.5	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	24.0	-		No	-	-	42.9	28.1	52.2		-
7vk1	1.93 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	21.69%	26.49%	N/A		-	CrystFEL	94.40%	4.4	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	15.0	-		No	-	-	23.2	18.3	61.2		-
7vk2	2.00 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	22.94%	27.47%	N/A		-	CrystFEL	100.00%	7.6	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	9.1	-		No	-	-	16.9	11.4	57.3		-
7vk3	2.10 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	23.78%	27.80%	N/A		-	CrystFEL	100.00%	5.6	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	13.5	-		No	-	-	15.0	29.7	54.1		-
7vk4	2.10 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	22.52%	26.63%	N/A		-	CrystFEL	100.00%	10.8	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	23.2	-		No	-	-	22.0	33.4	66.1		-
7vk5	2.17 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	24.07%	26.97%	N/A		-	CrystFEL	100.00%	7.9	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	15.7	-		No	-	-	19.8	28.1	56.5		-
7vk6	2.25 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	23.29%	26.57%	N/A		-	CrystFEL	100.00%	8.6	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	27.0	-		No	-	-	22.6	63.6	43.3		-
7vk7	2.40 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.89%	23.95%	N/A		-	CrystFEL	100.00%	8.6	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	45.4	-	49.9		-
7vk8	2.40 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	27.16%	32.94%	N/A		-	CrystFEL	99.40%	1.9	FREE ELECTRON LASER ()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	1.0	-		No	-	-	4.4	11.5	29.3		-
7wev	3.60 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	34930910	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wk2	3.10 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-02	35228716	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wk3	3.40 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wk8	3.61 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-02	35228716	-	-	-	-	N/A	-	-	Heavy chain of S3H3 Fab; Light chain of S3H3 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wka	3.64 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-02	35228716	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of S3H3 Fab; Light chain of S3H3 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7f7e	2.49 Å	2022-01-05	X-ray	NAG	SARS-CoV-2	Spike	Protein-protein complex	21.44%	25.62%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	96.03%	14.22	APS (24-ID-E)	PHENIX	2021-11-02	35060840	-	-	-	-	N/A	-	-	Spike protein S1 - RBD domain; Heavy chain of A5-10 Fab; Light chain of A5-10 Fab	4.5	-		No	-		29.7	12.4	25.5		-
7nll	2.89 Å	2022-01-05	Cryo-EM	RTV	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol	2-(acetylamino)-1,5-anhydro-2-deoxy-D-mannitol		-	-	()	PHENIX	2021-11-02	35013189	-	-	-	-	N/A	-	-	Surface glycoprotein; Nanobody Fu2	N/A	-		No	-		N/A	N/A	N/A		-
7ns6	3.18 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35013189	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin; Fu2 nanobody	N/A	-		No	-		N/A	N/A	N/A		-
7nt4	2.68 Å	2022-01-05	X-ray	PRL	SARS-CoV-2	NSP3: PLpro	Functional ligand	19.32%	26.41%	N/A	PROFLAVIN	PROFLAVIN	XDS	95.70%	13.2	SLS (X06DA)	REFMAC	2021-11-02	35021060	ZN	-	-	-	N/A	-	-	Non-structural protein 3	10.8	-		No	-		23.6	52.9	14.6		-
7pqy	3.00 Å	2022-01-05	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	22.79%	24.46%	18.10%		-	xia2	99.40%	7.2	Diamond (I03)	PHENIX	2021-11-02	34987630	-	-	-	-	N/A	-	-	FI-3A Fab light chain; Spike protein S1; FI-3A Fab heavy chain	25.0	-		No	-		40.5	18.7	66.2		-
7pqz	3.20 Å	2022-01-05	X-ray	PO4	SARS-CoV-2	Spike	Protein-protein complex	20.06%	24.01%	26.30%	PHOSPHATE ION	PHOSPHATE ION	xia2	100.00%	13.6	Diamond (I03)	PHENIX	2021-11-02	34987630	-	-	-	-	N/A	-	-	FD-11A Fab heavy chain; FD-11A Fab light chain; Spike protein S1; FI-3A Fab heavy chain; FI-3A Fab light chain	24.9	-		No	-		44.7	13.2	67.3		-
7pr0	2.92 Å	2022-01-05	X-ray	NO3, NAG	SARS-CoV-2	Spike	Protein-protein complex	21.36%	25.06%	28.40%	NITRATE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	NITRATE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.80%	5.7	Diamond (I03)	PHENIX	2021-11-02	34987630	-	-	-	-	N/A	-	-	Spike protein S1; FD-5D Fab heavy chain; FD-5D Fab light chain	25.1	-		No	-		34.7	20.3	70.7		-
7qif	2.53 Å	2022-01-05	X-ray	GTG, PO4	SARS-CoV-2	NSP14	Functional ligand	20.44%	24.17%	58.50%	7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE; PHOSPHATE ION	7-METHYL-GUANOSINE-5'-TRIPHOSPHATE-5'-GUANOSINE; PHOSPHATE ION	DIALS	91.70%	6.0	Diamond (I03)	PHENIX	2021-11-02	36546776	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	-	-		No	-		38.7	-	83.8		-
7sc1	3.20 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	34973165	-	-	-	-	N/A	-	-	R40-1G8 Fab light chain; Spike glycoprotein; R40-1G8 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7tla	3.13 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tlb	3.06 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tlc	2.83 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tld	2.89 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tly	3.00 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	35076256	-	-	-	-	N/A	-	-	S309 Fab heavy chain; Spike glycoprotein; S309 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7tlz	3.30 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-11-02	35076256	-	-	-	-	N/A	-	-	Spike glycoprotein; S2L20 Fab light chain; S2L20 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7tm0	3.10 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35076256	-	-	-	-	N/A	-	-	S309 Fab light chain; S2L20 Fab heavy chain; S2L20 Fab light chain; Spike glycoprotein; S309 Fab Heavy Chain	N/A	-		No	-		N/A	N/A	N/A		-
7tn0	2.85 Å	2022-01-05	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	23.03%	26.79%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	96.70%	5.6	ALS (4.2.2)	PHENIX; PHENIX	2021-11-02	35076256	ZN	-	-	-	N/A	-	-	Spike protein S1 - Receptor-binding domain; S304 Fab heavy chain; S304 Fab light chain; Angiotensin-converting enzyme 2; S309 heavy chain; S309 light chain	47.7	-		No	-		21.1	74.0	75.8		-
7tob	2.05 Å	2022-01-05	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	17.16%	21.35%	7.70%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid		99.20%	9.4	ROTATING ANODE ()	REFMAC	2021-11-02	35292745	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	56.2	-		No	-		71.1	48.9	67.0		-
7wcr	3.50 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	34964428	-	-	-	-	N/A	-	-	Light chain of S5D2 Fab; Heavy chain of S5D2 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wcz	3.50 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	34964428	-	-	-	-	N/A	-	-	Heavy chain of S5D2 Fab; Light chain of S5D2 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wd0	3.30 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	34964428	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of S5D2 Fab; Light chain of S5D2 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7wd7	3.50 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	34964428	-	-	-	-	N/A	-	-	Light chain of S5D2 Fab; Spike glycoprotein; Heavy chain of S5D2 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7wd8	4.30 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	34964428	-	-	-	-	N/A	-	-	Heavy chain of S3H3 Fab; Light chain of S3H3 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wd9	3.70 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	34964428	-	-	-	-	N/A	-	-	Heavy chain of S3H3 Fab; Spike glycoprotein; Light chain of S3H3 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7wdf	3.90 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	34964428	-	-	-	-	N/A	-	-	Heavy chain of S3H3 Fab; Light chain of S3H3 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wk4	3.69 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wk5	3.66 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()		2021-11-02	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wk6	3.67 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-02	-	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wk9	3.48 Å	2022-01-05	Cryo-EM	-	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-02	35228716	-	-	-	-	N/A	-	-	Heavy chain of S3H3 Fab; Spike glycoprotein; Light chain of S3H3 Fab	N/A	-		No	-		N/A	N/A	N/A		-
5sbf	1.64 Å	2022-01-05	X-ray	-	SARS-CoV-2	NSP15	PanDDA fragment screening	18.75%	21.11%	9.00%		-	XDS	99.90%	12.2	Diamond (I04)	REFMAC	2021-11-02	37115000	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease	-	-		No	-		73.1	-	-		-
7lhq	-	2022-01-05	NMR	-	SARS-CoV-2	NSP7	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-11-02	-	-	-	-	-	N/A	-	-	Non-structural protein 7	N/A	-		No	-	-	N/A	N/A	N/A		-
7tou	3.24 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tov	3.16 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tox	3.62 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7toy	3.53 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7toz	4.07 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tp0	3.57 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tp1	3.81 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tp2	3.72 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tp7	3.48 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tp8	3.40 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tp9	3.48 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tpa	3.60 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tpc	3.91 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tpe	4.00 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tpf	3.40 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tph	3.58 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tpl	3.87 Å	2022-01-05	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-02	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tq5	1.65 Å	2022-01-05	X-ray	IRW, ITX, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.90%	21.70%	5.40%	(1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-1-hydroxy-2-{[N-({[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	99.90%	11.2	APS (17-ID)	PHENIX	2021-11-02	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	71.3	-		No	-		67.9	65.9	84.8		-
7tq6	1.55 Å	2022-01-05	X-ray	IT3, ITG, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.50%	21.60%	4.20%	(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid; (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid	(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid; (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid; TETRAETHYLENE GLYCOL	XDS	99.90%	13.2	APS (17-ID)	PHENIX	2021-11-02	36654747	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	64.2	-		No	-		68.8	46.4	87.9		-
7tq7	1.70 Å	2022-01-05	X-ray	PG4, IRR	MERS-CoV	NSP5 (3CLpro)	Functional ligand	15.93%	19.02%	6.00%	N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide	TETRAETHYLENE GLYCOL; N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucinamide	XDS	99.60%	11.3	APS (17-ID)	PHENIX	2021-11-02	36654747	-	-	-	-	N/A	-	-	Orf1a protein	85.5	-		No	-		87.6	88.6	92.2		-
7ed5	2.98 Å	2022-02-16	Cryo-EM	AT9	SARS-CoV-2	NSP7/NSP8/NSP12	Functional ligand	N/A	N/A	N/A	RNA (5'-R(PGPCPUPAPUPGPUPGPAPGPAPUPUPAPAPGPUPUPAPU(AT9))-3'); RNA (5'-R(PCPCPCPCPAPUPAPAPCPUPUPAPAPUPCPUPCPAPCPAPUPAPGP*C)-3'); [[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate	[[(2R,3R,4R,5R)-5-(2-azanyl-6-oxidanylidene-1H-purin-9-yl)-4-fluoranyl-4-methyl-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate		-	-	()	PHENIX	2021-03-15	35110538	MG; ZN	-	-	-	N/A	-	-	Non-structural protein 8; RNA-directed RNA polymerase; Non-structural protein 7; RNA (5'-R(PCPCPCPCPAPUPAPAPCPUPUPAPAPUPCPUPCPAPCPAPUPAPGPC)-3'); RNA (5'-R(PGPCPUPAPUPGPUPGPAPGPAPUPUPAPAPGPUPUPAPU*(AT9))-3')	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(PCPCPCPCPAPUPAPAPCPUPUPAPAPUPCPUPCPAPCPAPUPAPGPC)-3'); RNA (5'-R(PGPCPUPAPUPGPUPGPAPGPAPUPUPAPAPGPUPUPAPU*(AT9))-3')	-
7tei	3.40 Å	2022-02-16	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-05	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tf8	3.36 Å	2022-02-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-06	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7the	3.79 Å	2022-02-16	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-01-10	35447081	-	-	-	-	N/A	-	-	DH1042 Fab Light Chain; DH1042 Fab Heavy Chain; Spike protein S1 - receptor binding domain	N/A	-		No	-		N/A	N/A	N/A		-
7tht	3.42 Å	2022-02-16	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-12	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein; DH1042 light chain; DH1042 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7tnw	3.10 Å	2022-02-16	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-21	35452593	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7to4	3.40 Å	2022-02-16	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-22	35452593	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tow	2.15 Å	2022-02-16	X-ray	PO4, CA	SARS-CoV-2	Spike	Protein-protein complex	16.68%	23.37%	N/A	Spike protein S2; PHOSPHATE ION; CALCIUM ION	PHOSPHATE ION; CALCIUM ION	HKL-2000	92.90%	22.5	APS (22-ID)	PHENIX	2022-01-24	35447081	CA	-	-	-	N/A	-	-	Spike protein S2; DH1058 Fab Light chain; DH1058 Fab heavy chain	46.2	-		No	-		51.4	71.2	45.1		-
7tvs	1.89 Å	2022-02-16	X-ray	XNJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.93%	22.49%	9.80%	N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide	N-(4-methyl-3-{[4-(pyridin-3-yl)-1,3-thiazol-2-yl]amino}phenyl)-4-[(piperazin-1-yl)methyl]benzamide	HKL-3000	98.30%	17.6	APS (19-ID)	PHENIX	2022-02-05	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	58.9	-		No	-	-	60.4	55.5	76.4		-
7tvx	2.09 Å	2022-02-16	X-ray	G65	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.83%	21.18%	8.50%		Masitinib	HKL-3000	95.80%	15.6	APS (19-ID)	PHENIX	2022-02-06	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	73.7	-		No	-	-	72.7	55.4	96.4		-
7au4	1.82 Å	2022-02-23	X-ray	RY5	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.49%	21.39%	5.60%	(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione	(3~{S})-6-chloranyl-3'-(1,2-oxazol-3-ylmethyl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione	XDS	99.80%	8.4	MAX IV (BioMAX)	PHENIX	2020-11-02	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	73.5	-		No	-		70.8	78.7	74.5		-
7b2j	1.55 Å	2022-02-23	X-ray	SQ2	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.15%	20.26%	6.70%	2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one	2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one	XDS	97.80%	13.2	MAX IV (BioMAX)	PHENIX; REFMAC	2020-11-27	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	81.3	-		No	-		79.9	78.7	88.7		-
7b2u	1.55 Å	2022-02-23	X-ray	SQ5	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.83%	24.63%	6.00%	(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione	(5S)-5-(cyclohexylmethyl)-3-(5-fluoropyridin-3-yl)imidazolidine-2,4-dione	XDS	96.50%	10.1	MAX IV (BioMAX)	PHENIX; REFMAC	2020-11-27	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	50.8	-		No	-		38.8	54.1	83.7		-
7b5z	1.65 Å	2022-02-23	X-ray	SYH	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.54%	19.61%	5.80%	2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one	2-(1H-benzo[d][1,2,3]triazol-1-yl)-1-(4-methylenepiperidin-1-yl)ethan-1-one	XDS	98.60%	18.6	MAX IV (BioMAX)	PHENIX; REFMAC	2020-12-07	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	78.2	-		No	-		84.2	68.7	83.9		-
7b77	1.60 Å	2022-02-23	X-ray	T0W	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.86%	21.38%	5.50%	2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide	2-(benzotriazol-1-yl)-~{N}-ethyl-~{N}-(furan-3-ylmethyl)ethanamide	XDS	99.30%	15.0	MAX IV (BioMAX)	PHENIX; REFMAC	2020-12-09	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	75.5	-		No	-		70.9	64.3	93.9		-
7bij	1.47 Å	2022-02-23	X-ray	TU8	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.54%	21.25%	5.80%	(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione	(3~{S})-3'-(5-fluoranylpyridin-3-yl)spiro[1,2-dihydroindene-3,5'-imidazolidine]-2',4'-dione	XDS	98.50%	13.7	MAX IV (BioMAX)	REFMAC; REFMAC	2021-01-12	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	66.8	-		No	-		72.0	52.2	84.4		-
7e6k	1.60 Å	2022-02-23	X-ray	HYR	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.04%	20.18%	5.20%	N-(2-phenoxyethyl)methanethioamide	N-(2-phenoxyethyl)methanethioamide		99.70%	18.1	SSRF (BL17U1)	PHENIX	2021-02-22	-	-	-	-	-	N/A	-	-	3C-like proteinase	49.8	-		No	-	-	80.5	29.4	64.7		-
7nbt	1.63 Å	2022-02-23	X-ray	U7W	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.04%	23.02%	6.00%	2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone	2-(benzotriazol-1-yl)-1-[(4~{S})-4-methyl-6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl]ethanone	XDS	98.10%	11.1	MAX IV (BioMAX)	REFMAC	2021-01-27	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	65.0	-		No	-		54.8	64.3	85.8		-
7neo	1.64 Å	2022-02-23	X-ray	U9H	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.12%	23.87%	6.50%	2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione	2-cyclobutyl-7-(5-fluoropyridin-3-yl)-5,7-diazaspiro[3.4]octane-6,8-dione	XDS	99.90%	11.3	MAX IV (BioMAX)	REFMAC	2021-02-04	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	56.9	-		No	-		46.2	60.1	82.0		-
7o46	2.23 Å	2022-02-23	X-ray	V18	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.58%	24.87%	5.50%	2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione	2-cyclobutyl-7-isoquinolin-4-yl-5,7-diazaspiro[3.4]octane-6,8-dione	XDS	99.70%	14.6	MAX IV (BioMAX)	REFMAC	2021-04-05	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	47.1	-		No	-		36.5	51.8	81.2		-
7q0a	4.80 Å	2022-02-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-10-14	34987630	-	-	-	-	N/A	-	-	Spike glycoprotein,Spike ectodomain,Spike protein S2'; FI3A fab heavy chain; FI3A fab Light chain	N/A	-		No	-		N/A	N/A	N/A		-
7qbb	2.00 Å	2022-02-23	X-ray	V1B	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.70%	25.80%	7.00%	7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione	7-isoquinolin-4-yl-2-phenyl-5,7-diazaspiro[3.4]octane-6,8-dione	XDS	99.70%	11.9	MAX IV (BioMAX)	REFMAC	2021-11-18	35142215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	36.0	-		No	-		28.1	48.6	71.4		-
7tl1	3.50 Å	2022-02-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-18	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tl9	3.50 Å	2022-02-23	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-18	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tp3	2.33 Å	2022-02-23	X-ray	CAC	SARS-CoV-2	Spike	Protein-protein complex	18.52%	23.06%	14.30%	CACODYLATE ION	CACODYLATE ION	HKL-2000	97.70%	7.6	SSRL (BL12-1)	PHENIX	2022-01-24	35947674	-	-	-	-	N/A	-	-	K288.2 heavy chain; K288.2 light chain; Spike protein S1	35.8	-		No	-		54.5	37.9	55.4		-
7tp4	1.95 Å	2022-02-23	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	20.46%	23.06%	9.00%		-	autoPROC	99.80%	12.1	APS (23-ID-D)	PHENIX	2022-01-24	35947674	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor binding domain, UNP residues 333-530; K398.22 light chain; K398.22 heavy chain	31.1	-		No	-		54.5	28.6	55.1		-
7twf	1.10 Å	2022-02-23	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	11.31%	13.46%	6.39%		-	XDS	99.86%	11.83	SSRL (BL12-1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain (UNP residues 1025-1191)	86.3	-		No	-		99.4	80.5	95.7		-
7twg	1.10 Å	2022-02-23	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	10.54%	12.63%	5.29%		-	Adxv	99.70%	14.17	SSRL (BL12-1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain (UNP residues 1025-1191)	86.8	-		No	-		99.7	84.9	97.8		-
7twh	1.10 Å	2022-02-23	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	9.94%	11.47%	3.40%		-	XDS	99.77%	21.87	SSRL (BL12-1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain (UNP residues 1025-1191)	86.5	-		No	-		99.9	80.5	97.1		-
7twi	1.10 Å	2022-02-23	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	9.56%	11.34%	3.10%		-	XDS	99.45%	25.61	SSRL (BL12-1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain (UNP residues 1025-1191)	85.1	-		No	-		99.9	71.4	94.7		-
7twj	0.90 Å	2022-02-23	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	9.69%	10.92%	2.48%		-	XDS	99.90%	33.33	ALS (8.3.1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3	84.8	-		No	-		99.9	80.5	83.8		-
7twn	0.90 Å	2022-02-23	X-ray	NHE	SARS-CoV-2	NSP3: Macro	No functional ligands	9.93%	11.35%	2.68%	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	XDS	99.95%	32.28	ALS (8.3.1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3	86.0	-		No	-		99.9	89.6	83.3		-
7two	0.90 Å	2022-02-23	X-ray	NHE	SARS-CoV-2	NSP3: Macro	No functional ligands	10.46%	11.87%	2.73%	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	XDS	99.78%	28.5	ALS (8.3.1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3	81.9	-		No	-		99.8	67.2	82.7		-
7twp	0.90 Å	2022-02-23	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	10.83%	12.40%	3.02%		-	XDS	99.87%	25.98	ALS (8.3.1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3	85.6	-		No	-		99.7	75.9	93.9		-
7twq	0.90 Å	2022-02-23	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	10.96%	12.58%	2.70%		-	XDS	99.89%	28.95	ALS (8.3.1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3	85.2	-		No	-		99.7	71.6	95.4		-
7twr	0.90 Å	2022-02-23	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	10.60%	12.12%	2.99%		-	XDS	99.73%	26.06	ALS (8.3.1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3	85.5	-		No	-		99.8	76.0	93.1		-
7tws	0.90 Å	2022-02-23	X-ray	-	SARS-CoV-2	NSP3: Macro	No functional ligands	11.12%	12.65%	2.52%		-	XDS	99.91%	30.16	ALS (8.3.1)	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3	84.3	-		No	-		99.7	67.2	94.7		-
7twt	0.90 Å	2022-02-23	X-ray	AR6	SARS-CoV-2	NSP3: Macro	Functional ligand	10.63%	12.02%	4.75%	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	XDS	99.84%	17.44	ALS (8.3.1)	PHENIX	2022-02-07	-	-	-	-	-	N/A	-	-	Non-structural protein 3	86.4	-		No	-	-	99.8	80.5	96.3		-
7twv	0.90 Å	2022-02-23	X-ray	AR6	SARS-CoV-2	NSP3: Macro	Functional ligand	9.50%	10.66%	2.33%	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	XDS	99.88%	40.56	ALS (8.3.1)	PHENIX	2022-02-07	-	-	-	-	-	N/A	-	-	Non-structural protein 3	85.9	-		No	-	-	99.9	85.1	86.7		-
7tww	0.90 Å	2022-02-23	X-ray	AR6	SARS-CoV-2	NSP3: Macro	Functional ligand	9.44%	10.68%	2.50%	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	XDS	99.85%	36.47	ALS (8.3.1)	PHENIX	2022-02-07	-	-	-	-	-	N/A	-	-	Non-structural protein 3	84.4	-		No	-	-	99.9	76.2	85.6		-
7twx	0.90 Å	2022-02-23	X-ray	AR6	SARS-CoV-2	NSP3: Macro	Functional ligand	9.54%	10.86%	2.63%	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	XDS	99.89%	36.03	ALS (8.3.1)	PHENIX	2022-02-07	-	-	-	-	-	N/A	-	-	Non-structural protein 3	83.6	-		No	-	-	99.9	76.0	81.3		-
7twy	0.90 Å	2022-02-23	X-ray	AR6	SARS-CoV-2	NSP3: Macro	Functional ligand	9.30%	10.67%	2.18%	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	XDS	99.89%	40.54	ALS (8.3.1)	PHENIX	2022-02-07	-	-	-	-	-	N/A	-	-	Non-structural protein 3	86.3	-		No	-	-	99.9	89.7	85.4		-
7tx0	0.84 Å	2022-02-23	X-ray	AR6	SARS-CoV-2	NSP3: Macro	Functional ligand	10.00%	11.10%	2.84%	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	XDS	99.90%	41.39	ALS (8.3.1)	PHENIX	2022-02-07	-	-	-	-	-	N/A	-	-	Non-structural protein 3	86.1	-		No	-	-	99.9	80.4	92.8		-
7tx1	0.90 Å	2022-02-23	X-ray	AR6	SARS-CoV-2	NSP3: Macro	Functional ligand	9.59%	10.77%	2.43%	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	[(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE	XDS	99.90%	35.99	ALS (8.3.1)	PHENIX	2022-02-07	-	-	-	-	-	N/A	-	-	Non-structural protein 3	85.3	-		No	-	-	99.9	80.5	86.8		-
7tx3	1.60 Å	2022-02-23	NEUTRONDIFFRACTION/X-RAY/HYBRID	NHE	SARS-CoV-2	NSP3: Macro	Functional ligand	12.39%	15.76%	8.70%	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	Mantid	99.60%	15.6	ROTATING ANODE, SPALLATION SOURCE ()	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	N/A	-		No	-		N/A	N/A	N/A		-
7tx4	1.90 Å	2022-02-23	NEUTRONDIFFRACTION/X-RAY/HYBRID	-	SARS-CoV-2	NSP3: Macro	No functional ligands	16.62%	22.40%	9.70%		-	Mantid	96.60%	16.9	SPALLATION SOURCE, ROTATING ANODE ()	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - macrodomain	N/A	-		No	-		N/A	N/A	N/A		-
7tx5	1.95 Å	2022-02-23	NEUTRONDIFFRACTION/X-RAY/HYBRID	APR	SARS-CoV-2	NSP3: Macro	Functional ligand	13.22%	17.19%	7.00%	ADENOSINE-5-DIPHOSPHORIBOSE	ADENOSINE-5-DIPHOSPHORIBOSE		92.90%	19.2	SPALLATION SOURCE, ROTATING ANODE ()	PHENIX	2022-02-07	35622909	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - macrodomain	N/A	-		No	-		N/A	N/A	N/A		-
7e5x	2.19 Å	2022-03-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.47%	26.61%	3.70%		-	HKL-2000	97.10%	16.94	SSRF (BL19U1)	REFMAC	2021-02-21	35380892	-	-	-	-	N/A	-	-	3C-like proteinase	9.7	-		No	-		22.1	14.9	50.5		-
7nij	1.58 Å	2022-03-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.71%	20.31%	7.00%		-	XDS	99.40%	9.2	ESRF (ID23-2)	PHENIX	2021-02-12	35234150	-	-	-	-	N/A	-	-	2'-O-methyltransferase	66.7	-		No	-		79.5	39.3	89.7		-
7ntq	1.50 Å	2022-03-02	X-ray	NA, 35J, FMT	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.06%	21.32%	N/A	FORMIC ACID; SODIUM ION; N-(pyridin-3-ylmethyl)thioformamide	SODIUM ION; N-(pyridin-3-ylmethyl)thioformamide; FORMIC ACID	Aimless	98.70%	9.77	SOLEIL (PROXIMA 1)	REFMAC	2021-03-10	36796300	-	-	-	-	N/A	-	-	3C-like proteinase	75.1	-		No	-		71.3	73.6	83.2		-
7ntt	1.74 Å	2022-03-02	X-ray	NA, FMT	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.73%	25.47%	N/A	SODIUM ION; FORMIC ACID	SODIUM ION; FORMIC ACID	Aimless	95.00%	7.72	SOLEIL (PROXIMA 1)	REFMAC	2021-03-10	-	-	-	-	-	N/A	-	-	3C-like proteinase	42.9	-		No	-	-	31.1	58.1	72.4		-
7ntw	1.81 Å	2022-03-02	X-ray	NA, FMT	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	19.66%	25.70%	N/A	SODIUM ION; FORMIC ACID	SODIUM ION; FORMIC ACID	Aimless	99.00%	12.8	SOLEIL (PROXIMA 1)	REFMAC	2021-03-11	-	NA; ZN	-	-	-	N/A	-	-	3C-like proteinase	40.8	-		No	-	-	29.0	64.3	64.2		-
7r10	4.00 Å	2022-03-02	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r15	4.10 Å	2022-03-02	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r1a	3.90 Å	2022-03-02	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7skq	3.16 Å	2022-03-02	X-ray	TTT	BtSCoV-Rf1.2004	NSP3: PLpro	Functional ligand	23.02%	25.91%	N/A	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide	5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide		100.00%	11.6	NSLS-II (17-ID-1)	PHENIX	2021-10-21	35199517	ZN	-	-	-	N/A	-	-	3C-like proteinase	48.4	-		No	-		27.2	86.3	58.5		-
7skr	2.89 Å	2022-03-02	X-ray	9OZ	BtSCoV-Rf1.2004	NSP3: PLpro	Functional ligand	20.09%	23.99%	N/A	N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide	N-[(2-methoxypyridin-4-yl)methyl]-2-[(1R)-1-(naphthalen-1-yl)ethyl]-2-azaspiro[3.3]heptane-6-carboxamide	HKL-2000	99.50%	15.5	APS (22-ID)	PHENIX	2021-10-21	35199517	ZN	-	-	-	N/A	-	-	3C-like proteinase	71.1	-		No	-		45.1	88.9	84.3		-
7tdu	1.85 Å	2022-03-02	NEUTRONDIFFRACTION/X-RAY/HYBRID	I1W, DOD	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.70%	21.00%	7.60%		(1R,2S,5S)-N-{(1S,2S)-1-(1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxo(1-~2~H)pyrrolidin-3-yl]propan-2-yl}-3-{N-[tert-butyl(~2~H)carbamoyl]-3-methyl-L-(N-~2~H)valyl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-(~2~H)carboxamide; water	CrysalisPro; LAUEGEN	96.60%	13.6	ROTATING ANODE, NUCLEAR REACTOR ()	nCNS	2022-01-03	35477935	-	-	-	-	N/A	-	-	3C-like proteinase	N/A	-		No	-		N/A	N/A	N/A		-
7teh	1.80 Å	2022-03-02	X-ray	I1Z	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.51%	18.56%	3.70%	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	CrysalisPro	93.60%	33.35	ROTATING ANODE ()	PHENIX	2022-01-05	35477935	-	-	-	-	N/A	-	-	3C-like proteinase	59.0	-		No	-		89.9	42.8	59.8		-
7tfr	1.80 Å	2022-03-02	X-ray	NB2	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	15.79%	18.11%	4.60%	(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	CrysalisPro	99.90%	25.92	ROTATING ANODE ()	PHENIX	2022-01-07	35477935	-	-	-	-	N/A	-	-	3C-like proteinase	57.8	-		No	-		91.7	20.3	78.2		-
7thk	3.11 Å	2022-03-02	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-11	35172173	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tq8	1.65 Å	2022-03-02	X-ray	PG4, IUB, IRK	MERS-CoV	NSP5 (3CLpro)	Functional ligand	15.90%	19.10%	8.50%	(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid; (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid; (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[(1R,2S)-2-propylcyclopropyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid	XDS	98.20%	10.1	APS (17-ID)	PHENIX	2022-01-26	36654747	-	-	-	-	N/A	-	-	Orf1a protein	84.6	-		No	-		87.2	83.5	92.4		-
7tzj	2.66 Å	2022-03-02	X-ray	S88	SARS-CoV-2	NSP3: PLpro	Functional ligand	20.06%	25.74%	6.17%	N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide	N-[(3-fluorophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide	XDS	99.80%	7.01	Australian Synchrotron (MX2)	PHENIX	2022-02-15	35494659	ZN	-	-	-	N/A	-	-	Papain-like protease	38.6	-		No	-		28.8	91.0	33.4		-
7vvt	2.51 Å	2022-03-02	X-ray	80X	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.39%	25.27%	32.70%	N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide	N-(3-chlorophenyl)-2-[(2R)-1-ethanoyl-3-oxidanylidene-piperazin-2-yl]ethanamide	HKL-3000	99.20%	1.6	SSRF (BL18U1)	PHENIX	2021-11-08	35114541	-	-	-	-	N/A	-	-	3C-like proteinase	45.7	-		No	-		32.9	36.0	98.1		-
7vyr	2.20 Å	2022-03-02	X-ray	-	SARS-CoV-2	Spike	NLF	19.20%	23.53%	8.70%		-	HKL-2000	95.40%	1.36	PAL/PLS (11C)	PHENIX	2021-11-15	35030983	-	-	-	-	N/A	-	-	Spike protein S1; D27 light chain; D27 heavy chain	37.6	-		No	-		49.6	33.6	68.0		-
7wvn	3.40 Å	2022-03-02	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-02-10	35228716	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wvo	3.41 Å	2022-03-02	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-02-10	35228716	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ywr	-	2022-03-02	NMR	-	SARS-CoV-2	NSP8	No functional ligands	N/A	N/A	N/A		-		-	-	()		2022-02-14	-	-	-	-	-	N/A	-	-	ORF1a polyprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7e9o	3.41 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-04	-	-	-	-	-	N/A	-	-	Light chain of 35B5 Fab; Heavy chain of 35B5 Fab; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7e9q	3.65 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-04	-	-	-	-	-	N/A	-	-	Light chain of 35B5 Fab; Spike glycoprotein; Heavy chain of 35B5 Fab	N/A	-		No	-	-	N/A	N/A	N/A		-
7q1z	3.40 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-10-22	35233549	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r0z	3.50 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7r11	3.50 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r12	3.30 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r13	3.60 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r14	3.40 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r16	3.50 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r17	3.70 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r18	3.00 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r19	3.30 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r1b	2.80 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-02	35246509	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7r2v	2.53 Å	2022-03-09	X-ray	SAH, TRS	SARS-CoV-2	NSP14	No functional ligands	19.63%	25.43%	16.00%	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; S-ADENOSYL-L-HOMOCYSTEINE	S-ADENOSYL-L-HOMOCYSTEINE; 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	XDS	87.80%	6.8	NSLS (X6A)	REFMAC	2022-02-06	35609600	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	27.8	-		No	-		31.4	50.8	49.0		-
7s5p	2.86 Å	2022-03-09	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	20.83%	24.71%	25.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	2.3	ALS (5.0.1)	PHENIX	2021-09-11	35076281	-	-	-	-	N/A	-	-	Spike protein S1; CS23 Light chain; CS23 Heavy chain	22.4	-		No	-		38.0	41.6	40.2		-
7s5q	2.88 Å	2022-03-09	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	21.61%	25.73%	16.90%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.90%	4.6	SSRL (BL12-1)	PHENIX	2021-09-11	35076281	-	-	-	-	N/A	-	-	CS44 Light chain; COVA1-16 Heavy chain; COVA1-16 Light chain; CS44 Heavy chain; Spike protein S1	16.7	-		No	-		28.8	34.0	44.1		-
7s5r	2.45 Å	2022-03-09	X-ray	NAG	SARS-CoV-2	Spike	No functional ligands	20.71%	23.75%	11.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.90%	5.2	SSRL (BL12-1)	PHENIX	2021-09-11	35076281	-	-	-	-	N/A	-	-	CV07-287 Heavy chain; CV07-287 Light chain; COVA1-16 Light chain; COVA1-16 Heavy chain; Spike protein S1	30.8	-		No	-		47.4	40.7	49.6		-
7tge	3.68 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-07	35447081	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tgw	3.00 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-09	35241675	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tgx	3.20 Å	2022-03-09	Cryo-EM	MAN, NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	alpha-D-mannopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	alpha-D-mannopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-09	35241675	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tgy	3.00 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-09	35241675	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7u28	1.68 Å	2022-03-09	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.80%	24.76%	6.40%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	74.20%	10.5	APS (17-ID)	BUSTER	2022-02-23	35461811	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	54.4	-		No	-		37.6	55.7	90.2		-
7u29	2.09 Å	2022-03-09	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.41%	26.55%	11.70%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	85.70%	7.9	APS (17-ID)	BUSTER	2022-02-23	35461811	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	52.2	-		No	-		22.6	78.7	77.9		-
7wp9	2.56 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-23	35133176	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wpa	2.77 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-23	35133176	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7wpb	2.79 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-23	35133176	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7wpc	2.57 Å	2022-03-09	Cryo-EM	NAG	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-23	35133176	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7x08	2.70 Å	2022-03-09	Cryo-EM	NAG, EIC	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID		-	-	()		2022-02-21	35169121	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain of 2G1; light chain of 2G1	N/A	-		No	-		N/A	N/A	N/A		-
5skw	2.09 Å	2022-03-16	X-ray	PO4, LF6	SARS-CoV-2	NSP14	PanDDA fragment screening	19.70%	26.71%	N/A	{(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol; PHOSPHATE ION	PHOSPHATE ION; {(1R,2R)-2-[(Z)-(3-methyl-1,2,4-thiadiazol-5(2H)-ylidene)amino]cyclopentyl}methanol	XDS	91.70%	7.0	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	25.9	-		No	-	-	21.4	43.7	62.1		-
5skx	2.34 Å	2022-03-16	X-ray	PO4, T6J	SARS-CoV-2	NSP14	PanDDA fragment screening	18.29%	27.51%	N/A	PHOSPHATE ION; 2-[(methylsulfonyl)methyl]-1H-benzimidazole	PHOSPHATE ION; 2-[(methylsulfonyl)methyl]-1H-benzimidazole	XDS	92.60%	7.2	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	17.2	-		No	-	-	16.6	47.8	43.7		-
5sky	2.25 Å	2022-03-16	X-ray	PO4, O2M	SARS-CoV-2	NSP14	PanDDA fragment screening	21.33%	24.83%	23.70%	PHOSPHATE ION; N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide	PHOSPHATE ION; N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1H-pyrazole-5-carboxamide	XDS	100.00%	6.4	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	33.7	-		No	-	-	36.8	40.0	66.7		-
5skz	1.96 Å	2022-03-16	X-ray	PO4, NVD	SARS-CoV-2	NSP14	PanDDA fragment screening	21.49%	24.40%	12.70%	PHOSPHATE ION; N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine	PHOSPHATE ION; N-{[4-(dimethylamino)phenyl]methyl}-4H-1,2,4-triazol-4-amine	XDS	98.60%	9.3	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	32.2	-		No	-	-	41.0	28.0	71.4		-
5sl0	2.00 Å	2022-03-16	X-ray	PO4, B0V	SARS-CoV-2	NSP14	PanDDA fragment screening	22.38%	25.97%	11.90%	PHOSPHATE ION; 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide	PHOSPHATE ION; 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide	XDS	97.70%	10.4	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	27.2	-		No	-	-	26.9	31.2	72.0		-
5sl1	2.38 Å	2022-03-16	X-ray	PO4, O2A	SARS-CoV-2	NSP14	PanDDA fragment screening	20.49%	26.66%	23.00%	PHOSPHATE ION; N-methyl-1H-indole-7-carboxamide	PHOSPHATE ION; N-methyl-1H-indole-7-carboxamide	XDS	99.20%	8.0	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	15.1	-		No	-	-	21.9	23.1	57.9		-
5sl2	1.74 Å	2022-03-16	X-ray	PO4, LFO	SARS-CoV-2	NSP14	PanDDA fragment screening	22.59%	25.63%	17.80%	N,1-dimethyl-1H-indole-3-carboxamide; PHOSPHATE ION	PHOSPHATE ION; N,1-dimethyl-1H-indole-3-carboxamide	XDS	99.80%	7.6	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	30.1	-		No	-	-	29.6	24.6	81.9		-
5sl3	1.99 Å	2022-03-16	X-ray	LGR, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	24.04%	26.88%	31.00%	PHOSPHATE ION; 2-[acetyl(methyl)amino]benzoic acid	2-[acetyl(methyl)amino]benzoic acid; PHOSPHATE ION	XDS	99.90%	5.9	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	20.6	-		No	-	-	20.4	25.3	70.2		-
5sl4	1.94 Å	2022-03-16	X-ray	PO4, LHR	SARS-CoV-2	NSP14	PanDDA fragment screening	24.29%	28.09%	21.90%	N-(1H-indazol-6-yl)acetamide; PHOSPHATE ION	PHOSPHATE ION; N-(1H-indazol-6-yl)acetamide	XDS	99.50%	6.6	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	15.8	-		No	-	-	13.7	25.3	65.7		-
5sl5	2.36 Å	2022-03-16	X-ray	PO4, WNV	SARS-CoV-2	NSP14	PanDDA fragment screening	22.23%	28.06%	34.90%	N,N,2,3-tetramethylbenzamide; PHOSPHATE ION	PHOSPHATE ION; N,N,2,3-tetramethylbenzamide	XDS	99.70%	4.9	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	26.9	-		No	-	-	13.8	45.7	69.8		-
5sl6	2.29 Å	2022-03-16	X-ray	PO4, 60P	SARS-CoV-2	NSP14	PanDDA fragment screening	23.49%	29.29%	31.80%	3-methylthiophene-2-carboxylic acid; PHOSPHATE ION	PHOSPHATE ION; 3-methylthiophene-2-carboxylic acid	XDS	99.90%	2.8	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	10.1	-		No	-	-	9.1	37.9	41.5		-
5sl7	1.84 Å	2022-03-16	X-ray	PO4, W0G	SARS-CoV-2	NSP14	PanDDA fragment screening	22.62%	25.07%	18.70%	(3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one; PHOSPHATE ION	PHOSPHATE ION; (3R)-1-(2-fluorophenyl)-3-(methylamino)pyrrolidin-2-one	XDS	100.00%	7.7	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	31.7	-		No	-	-	34.6	24.5	80.3		-
5sl8	2.07 Å	2022-03-16	X-ray	PO4, JGD	SARS-CoV-2	NSP14	PanDDA fragment screening	22.70%	26.11%	34.60%	N,N-dimethylpyridin-4-amine; PHOSPHATE ION	PHOSPHATE ION; N,N-dimethylpyridin-4-amine	XDS	99.70%	6.4	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	20.5	-		No	-	-	25.7	15.2	74.6		-
5sl9	1.75 Å	2022-03-16	X-ray	O0S, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	27.13%	29.47%	18.30%	N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide; PHOSPHATE ION	N-{4-[(pyrimidin-2-yl)oxy]phenyl}acetamide; PHOSPHATE ION	XDS	99.90%	6.5	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	16.1	-		No	-	-	8.6	20.1	76.8		-
5sla	1.70 Å	2022-03-16	X-ray	LJR, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	25.11%	27.14%	13.30%	1-cyclohexyl-N-methylmethanesulfonamide; PHOSPHATE ION	1-cyclohexyl-N-methylmethanesulfonamide; PHOSPHATE ION	XDS	99.90%	8.1	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	16.9	-		No	-	-	18.7	21.7	66.8		-
5slb	1.80 Å	2022-03-16	X-ray	PO4, LJK	SARS-CoV-2	NSP14	PanDDA fragment screening	22.52%	24.19%	14.30%	3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide; PHOSPHATE ION	PHOSPHATE ION; 3-methyl-N-(2-methylbutan-2-yl)-1H-pyrazole-5-carboxamide	XDS	99.90%	9.3	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	37.5	-		No	-	-	43.2	24.5	83.3		-
5slc	1.67 Å	2022-03-16	X-ray	U1V, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	24.19%	25.96%	12.30%	PHOSPHATE ION; 1-(4-fluoro-2-methylphenyl)methanesulfonamide	1-(4-fluoro-2-methylphenyl)methanesulfonamide; PHOSPHATE ION	XDS	99.50%	9.5	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	26.6	-		No	-	-	26.9	21.7	80.0		-
5sld	1.58 Å	2022-03-16	X-ray	LJ6, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	24.53%	25.83%	10.40%	PHOSPHATE ION; (2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide	(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-N,N,2-trimethylpropanamide; PHOSPHATE ION	XDS	99.40%	10.7	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	24.7	-		No	-	-	28.0	20.1	76.8		-
5sle	2.01 Å	2022-03-16	X-ray	JGA, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	22.64%	26.12%	20.70%	N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea; PHOSPHATE ION	N-ethyl-N'-(5-methyl-1,2-oxazol-3-yl)urea; PHOSPHATE ION	XDS	99.20%	7.1	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	24.0	-		No	-	-	25.7	33.8	63.8		-
5slf	2.01 Å	2022-03-16	X-ray	LJA, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	20.17%	24.51%	23.60%	PHOSPHATE ION; N-[3-(carbamoylamino)phenyl]acetamide	N-[3-(carbamoylamino)phenyl]acetamide; PHOSPHATE ION	XDS	99.90%	6.6	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	22.5	-		No	-	-	39.9	36.9	43.2		-
5slg	1.97 Å	2022-03-16	X-ray	NZJ, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	27.44%	32.34%	29.30%	PHOSPHATE ION; 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide	1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide; PHOSPHATE ION	XDS	98.80%	4.2	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	4.9	-		No	-	-	4.8	26.2	38.6		-
5slh	1.82 Å	2022-03-16	X-ray	LLU, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	23.83%	26.40%	19.00%	PHOSPHATE ION; (2S)-2-(2-fluorophenoxy)propanoic acid	(2S)-2-(2-fluorophenoxy)propanoic acid; PHOSPHATE ION	XDS	99.90%	7.3	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	23.4	-		No	-	-	23.6	24.5	74.0		-
5sli	2.30 Å	2022-03-16	X-ray	PO4, LL0	SARS-CoV-2	NSP14	PanDDA fragment screening	20.81%	27.13%	27.00%	PHOSPHATE ION; 2-(difluoromethoxy)benzene-1-sulfonamide	PHOSPHATE ION; 2-(difluoromethoxy)benzene-1-sulfonamide	XDS	100.00%	4.7	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	11.5	-		No	-	-	18.8	37.9	36.5		-
5slj	2.31 Å	2022-03-16	X-ray	LKU, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	18.06%	24.67%	14.80%	PHOSPHATE ION; 3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide	3-fluoro-N-(3-hydroxy-4-methylphenyl)benzamide; PHOSPHATE ION	XDS	100.00%	7.7	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	29.8	-		No	-	-	38.5	52.6	44.3		-
5slk	2.21 Å	2022-03-16	X-ray	PO4, LKL	SARS-CoV-2	NSP14	PanDDA fragment screening	22.03%	28.46%	27.40%	PHOSPHATE ION; 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol	PHOSPHATE ION; 2-[(5-chloro-3-fluoropyridin-2-yl)(methyl)amino]ethan-1-ol	XDS	99.90%	5.2	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	11.3	-		No	-	-	12.1	38.3	42.1		-
5sll	1.81 Å	2022-03-16	X-ray	PO4, LK6	SARS-CoV-2	NSP14	PanDDA fragment screening	22.55%	25.09%	17.40%	PHOSPHATE ION; N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide	PHOSPHATE ION; N-[(3R)-3-methyl-1,1-dioxo-1lambda~6~-thiolan-3-yl]cyclopropanecarboxamide	XDS	99.70%	7.4	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	23.8	-		No	-	-	34.5	24.5	63.8		-
5slm	2.05 Å	2022-03-16	X-ray	WN1, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	25.82%	30.72%	31.10%	PHOSPHATE ION; N-(2-fluorophenyl)-3-methoxybenzamide	N-(2-fluorophenyl)-3-methoxybenzamide; PHOSPHATE ION	XDS	100.00%	5.0	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	12.4	-		No	-	-	6.2	22.4	66.8		-
5sln	2.21 Å	2022-03-16	X-ray	LUY, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	24.00%	29.83%	29.00%	PHOSPHATE ION; ~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine	~{N}-(2-phenylethyl)-1~{H}-benzimidazol-2-amine; PHOSPHATE ION	XDS	99.90%	5.1	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	9.6	-		No	-	-	7.6	14.9	64.6		-
5slo	1.83 Å	2022-03-16	X-ray	JJM, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	24.32%	28.10%	20.40%	PHOSPHATE ION; 1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine	1-methyl-N-(3-methylphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine; PHOSPHATE ION	XDS	99.80%	7.1	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	21.0	-		No	-	-	13.5	26.5	76.6		-
5slp	1.82 Å	2022-03-16	X-ray	PO4, UWY	SARS-CoV-2	NSP14	PanDDA fragment screening	22.98%	26.00%	17.90%	PHOSPHATE ION; N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide	PHOSPHATE ION; N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide	XDS	99.90%	7.3	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	21.9	-		No	-	-	26.5	15.5	76.6		-
5slq	2.11 Å	2022-03-16	X-ray	PO4, ELQ	SARS-CoV-2	NSP14	PanDDA fragment screening	23.64%	27.38%	40.60%	PHOSPHATE ION; [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone	PHOSPHATE ION; [3,4-bis(fluoranyl)phenyl]-(4-methylpiperazin-1-yl)methanone	XDS	99.80%	5.4	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	13.8	-		No	-	-	17.4	16.3	65.8		-
5slr	1.86 Å	2022-03-16	X-ray	LO6, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	23.64%	26.72%	19.50%	PHOSPHATE ION; 2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one	2-(difluoromethoxy)-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethan-1-one; PHOSPHATE ION	XDS	99.90%	7.0	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	16.2	-		No	-	-	21.4	12.6	71.6		-
5sls	2.29 Å	2022-03-16	X-ray	PO4, SZE	SARS-CoV-2	NSP14	PanDDA fragment screening	23.64%	29.25%	21.50%	4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one; PHOSPHATE ION	PHOSPHATE ION; 4-(3-fluoranylpyridin-2-yl)-1-methyl-piperazin-2-one	XDS	100.00%	6.6	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	6.5	-		No	-	-	9.2	17.2	49.8		-
5slt	1.90 Å	2022-03-16	X-ray	PO4, LNS	SARS-CoV-2	NSP14	PanDDA fragment screening	22.65%	25.70%	16.50%	PHOSPHATE ION; 6-(methylcarbamoyl)pyridine-2-carboxylic acid	PHOSPHATE ION; 6-(methylcarbamoyl)pyridine-2-carboxylic acid	XDS	99.90%	8.2	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	27.2	-		No	-	-	29.0	25.3	75.8		-
5slu	2.09 Å	2022-03-16	X-ray	PO4, UX1	SARS-CoV-2	NSP14	PanDDA fragment screening	24.34%	28.34%	31.70%	1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide; PHOSPHATE ION	PHOSPHATE ION; 1-[(2-fluorophenyl)methyl]-N-methylcyclopropane-1-carboxamide	XDS	99.80%	4.2	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	20.3	-		No	-	-	12.6	41.6	60.9		-
5slv	2.05 Å	2022-03-16	X-ray	EJQ, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	24.44%	28.03%	27.90%	PHOSPHATE ION; ~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide	~{N}-(4-fluorophenyl)-2-pyrrolidin-1-yl-ethanamide; PHOSPHATE ION	XDS	99.90%	5.4	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	11.3	-		No	-	-	13.9	12.8	65.7		-
5slw	2.05 Å	2022-03-16	X-ray	PO4, U0V	SARS-CoV-2	NSP14	PanDDA fragment screening	23.76%	27.34%	29.00%	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide; PHOSPHATE ION	PHOSPHATE ION; 2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide	XDS	99.60%	5.8	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	22.3	-		No	-	-	17.6	29.0	73.0		-
5slx	1.76 Å	2022-03-16	X-ray	PO4, LMW	SARS-CoV-2	NSP14	PanDDA fragment screening	23.58%	25.88%	16.50%	2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol; PHOSPHATE ION	PHOSPHATE ION; 2-[(4-aminophenyl)(ethyl)amino]ethan-1-ol	XDS	99.80%	7.8	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	26.1	-		No	-	-	27.7	24.2	75.9		-
5sly	2.02 Å	2022-03-16	X-ray	PO4, LM6	SARS-CoV-2	NSP14	PanDDA fragment screening	25.47%	29.23%	29.00%	PHOSPHATE ION; 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine	PHOSPHATE ION; 1-(1-ethyl-1H-pyrazol-5-yl)-N-methylmethanamine	XDS	99.80%	5.3	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	18.3	-		No	-	-	9.2	32.4	68.9		-
5slz	2.54 Å	2022-03-16	X-ray	PO4, LQP	SARS-CoV-2	NSP14	PanDDA fragment screening	22.23%	29.36%	39.60%	2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one; PHOSPHATE ION	PHOSPHATE ION; 2-(difluoromethoxy)-1-[(3aR,6aS)-hexahydrocyclopenta[c]pyrrol-2(1H)-yl]ethan-1-one	XDS	99.90%	4.6	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	19.7	-		No	-	-	8.9	60.2	44.6		-
5sm0	2.09 Å	2022-03-16	X-ray	PO4, LQI	SARS-CoV-2	NSP14	PanDDA fragment screening	23.58%	27.30%	27.00%	PHOSPHATE ION; (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone	PHOSPHATE ION; (1-benzofuran-2-yl)(4-methylpiperidin-1-yl)methanone	XDS	99.80%	5.6	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	20.0	-		No	-	-	17.8	33.8	62.8		-
5sm1	1.94 Å	2022-03-16	X-ray	PO4, WH1	SARS-CoV-2	NSP14	PanDDA fragment screening	22.92%	26.04%	24.00%	N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide; PHOSPHATE ION	PHOSPHATE ION; N-methyl-N-[2-(pyridin-2-yl)ethyl]benzamide	XDS	99.90%	6.2	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	19.7	-		No	-	-	26.2	13.0	74.4		-
5sm2	1.78 Å	2022-03-16	X-ray	PO4, LQ3	SARS-CoV-2	NSP14	PanDDA fragment screening	25.01%	26.97%	18.90%	PHOSPHATE ION; (5S)-5-(difluoromethoxy)pyridin-2(5H)-one	PHOSPHATE ION; (5S)-5-(difluoromethoxy)pyridin-2(5H)-one	XDS	99.80%	6.6	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	17.6	-		No	-	-	19.8	18.7	70.5		-
5sm3	2.20 Å	2022-03-16	X-ray	PO4, GT4	SARS-CoV-2	NSP14	PanDDA fragment screening	25.66%	30.56%	30.80%	~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide; PHOSPHATE ION	PHOSPHATE ION; ~{N}-(4-hydroxyphenyl)-2-methoxy-ethanamide	XDS	99.80%	4.8	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	8.4	-		No	-	-	6.5	23.7	52.9		-
5sm4	2.16 Å	2022-03-16	X-ray	AWD, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	22.85%	27.05%	27.50%	PHOSPHATE ION; ~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide	~{N}-(4-fluorophenyl)-4-methyl-piperazine-1-carboxamide; PHOSPHATE ION	XDS	100.00%	5.6	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	26.6	-		No	-	-	19.2	48.0	61.5		-
5sm5	1.95 Å	2022-03-16	X-ray	PO4, S5J	SARS-CoV-2	NSP14	PanDDA fragment screening	20.42%	24.92%	23.10%	2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile; PHOSPHATE ION	PHOSPHATE ION; 2-[4-(2-methoxyphenyl)piperazin-1-yl]ethanenitrile	XDS	100.00%	6.3	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	23.4	-		No	-	-	35.9	43.7	42.5		-
5sm6	2.29 Å	2022-03-16	X-ray	K1A, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	22.90%	27.77%	28.50%	PHOSPHATE ION; 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one	3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one; PHOSPHATE ION	XDS	100.00%	4.9	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	20.7	-		No	-	-	15.3	47.8	53.0		-
5sm7	1.95 Å	2022-03-16	X-ray	PO4, LPU	SARS-CoV-2	NSP14	PanDDA fragment screening	23.66%	26.75%	24.80%	1-(methanesulfonyl)piperidin-4-ol; PHOSPHATE ION	PHOSPHATE ION; 1-(methanesulfonyl)piperidin-4-ol	XDS	99.90%	6.2	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	16.7	-		No	-	-	21.2	13.6	72.1		-
5sm8	1.95 Å	2022-03-16	X-ray	WKA, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	22.39%	26.72%	24.40%	PHOSPHATE ION; N-(2,1,3-benzoxadiazol-4-yl)acetamide	N-(2,1,3-benzoxadiazol-4-yl)acetamide; PHOSPHATE ION	XDS	100.00%	5.3	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	16.0	-		No	-	-	21.4	40.0	43.7		-
5sm9	2.01 Å	2022-03-16	X-ray	PO4, VZS	SARS-CoV-2	NSP14	PanDDA fragment screening	23.52%	27.05%	27.30%	PHOSPHATE ION; N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea	PHOSPHATE ION; N-(2-methoxy-5-methylphenyl)-N'-4H-1,2,4-triazol-4-ylurea	XDS	99.90%	6.0	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	23.4	-		No	-	-	19.2	32.7	70.2		-
5sma	2.01 Å	2022-03-16	X-ray	NZD, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	22.67%	25.91%	24.70%	4-methyl-N-phenylpiperazine-1-carboxamide; PHOSPHATE ION	4-methyl-N-phenylpiperazine-1-carboxamide; PHOSPHATE ION	XDS	100.00%	6.0	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	27.0	-		No	-	-	27.2	34.1	68.2		-
5smb	2.18 Å	2022-03-16	X-ray	LRR, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	23.38%	28.02%	30.50%	PHOSPHATE ION; 1-(morpholin-4-yl)-4-phenylbutan-1-one	1-(morpholin-4-yl)-4-phenylbutan-1-one; PHOSPHATE ION	XDS	99.90%	5.4	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	16.4	-		No	-	-	13.9	31.3	61.0		-
5smc	2.19 Å	2022-03-16	X-ray	PO4, LRF	SARS-CoV-2	NSP14	PanDDA fragment screening	20.85%	26.31%	26.10%	PHOSPHATE ION; N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide	PHOSPHATE ION; N~2~-(4-cyano-3-methyl-1,2-thiazol-5-yl)-N~2~-methylglycinamide	XDS	99.50%	6.4	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	23.8	-		No	-	-	24.3	48.0	50.6		-
5smd	1.83 Å	2022-03-16	X-ray	PO4, WKS	SARS-CoV-2	NSP14	PanDDA fragment screening	23.62%	26.29%	20.40%	PHOSPHATE ION; 2,4-dimethyl-6-(piperazin-1-yl)pyrimidine	PHOSPHATE ION; 2,4-dimethyl-6-(piperazin-1-yl)pyrimidine	XDS	99.60%	7.7	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	26.0	-		No	-	-	24.6	24.5	78.3		-
5sme	1.91 Å	2022-03-16	X-ray	I8D, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	21.26%	25.53%	22.20%	(4-chlorophenyl)(thiomorpholin-4-yl)methanone; PHOSPHATE ION	(4-chlorophenyl)(thiomorpholin-4-yl)methanone; PHOSPHATE ION	XDS	99.90%	6.6	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	23.7	-		No	-	-	30.5	36.9	55.2		-
5smf	2.01 Å	2022-03-16	X-ray	K1S, PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	26.99%	31.85%	25.10%	N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; PHOSPHATE ION	N,N-diethyl-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-amine; PHOSPHATE ION	XDS	100.00%	6.1	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	8.2	-		No	-	-	5.1	16.3	60.9		-
5smg	1.87 Å	2022-03-16	X-ray	PO4, LR9	SARS-CoV-2	NSP14	PanDDA fragment screening	23.13%	25.31%	19.00%	3-amino-N-ethyl-N-methylbenzamide; PHOSPHATE ION	PHOSPHATE ION; 3-amino-N-ethyl-N-methylbenzamide	XDS	99.90%	7.1	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	25.1	-		No	-	-	32.4	23.0	70.3		-
5smh	2.64 Å	2022-03-16	X-ray	PO4, 7ZC	SARS-CoV-2	NSP14	PanDDA fragment screening	21.06%	28.04%	52.20%	PHOSPHATE ION; 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine	PHOSPHATE ION; 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine	XDS	100.00%	4.6	Diamond (I04-1)	BUSTER	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	35.1	-		No	-	-	13.9	75.4	57.0		-
5smi	2.08 Å	2022-03-16	X-ray	PO4, LQV	SARS-CoV-2	NSP14	PanDDA fragment screening	26.82%	32.90%	32.50%	(2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide; PHOSPHATE ION	PHOSPHATE ION; (2S)-N-(5-methylpyridin-2-yl)oxolane-2-carboxamide	XDS	99.80%	5.4	Diamond (I04-1)	REFMAC	2022-03-03	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	4.3	-		No	-	-	4.5	26.2	36.2		-
7mw2	2.97 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-15	35347138	-	-	-	-	N/A	-	-	Fab of antibody clone 6, light chain; Spike glycoprotein; Fab of antibody clone 6, heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7mw3	3.15 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-15	35347138	-	-	-	-	N/A	-	-	Fab of antibody clone 6, heavy chain; Spike glycoprotein; Fab of antibody clone 6, light chain	N/A	-		No	-		N/A	N/A	N/A		-
7mw4	3.42 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-15	35347138	-	-	-	-	N/A	-	-	Fab of antibody clone 6, light chain; Fab of antibody clone 6, heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7mw5	3.42 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-15	35347138	-	-	-	-	N/A	-	-	Fab of antibody clone 2, light chain; Spike glycoprotein; Fab of antibody clone 2, heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7mw6	3.22 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-15	35347138	-	-	-	-	N/A	-	-	Fab of antibody clone 2, light chain; Fab of antibody clone 2, heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7owx	1.93 Å	2022-03-16	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	17.18%	23.29%	N/A	Spike protein S2	-	XDS	99.30%	11.5	SOLEIL (PROXIMA 1)	PHENIX	2021-06-21	35157347	ZN	-	-	-	N/A	-	-	Spike protein S2	74.4	-		No	-		52.3	84.4	89.8		-
7qch	1.88 Å	2022-03-16	X-ray	PO4, A5I	SARS-CoV-2	NSP3: PLpro	Functional ligand	20.83%	23.54%	N/A	PHOSPHATE ION; N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone	PHOSPHATE ION; N-(3,5-dimetoxy-4-hydroxybenzyliden)thiosemicarbazone	DIALS	99.85%	12.94	PETRA III, DESY (P11)	PHENIX	2021-11-24	35480391	ZN	-	-	-	N/A	-	-	Papain-like protease nsp3	30.7	-		No	-		49.6	14.7	73.1		-
7qci	1.76 Å	2022-03-16	X-ray	PO4, A6Q	SARS-CoV-2	NSP3: PLpro	Functional ligand	19.18%	21.45%	N/A	PHOSPHATE ION; N-(3,4-dihydroxybenzylidene)-thiosemicarbazone	PHOSPHATE ION; N-(3,4-dihydroxybenzylidene)-thiosemicarbazone	DIALS	99.91%	13.32	PETRA III, DESY (P11)	PHENIX	2021-11-24	35480391	ZN	-	-	-	N/A	-	-	Papain-like protease nsp3	48.7	-		No	-		70.2	16.7	85.7		-
7qcj	1.84 Å	2022-03-16	X-ray	PO4, A4O	SARS-CoV-2	NSP3: PLpro	Functional ligand	17.60%	19.76%	N/A	N-(2,4-dihydroxybenzylidene)-thiosemicarbazone; PHOSPHATE ION	PHOSPHATE ION; N-(2,4-dihydroxybenzylidene)-thiosemicarbazone	DIALS	99.95%	10.95	PETRA III, DESY (P11)	PHENIX	2021-11-24	35480391	ZN	-	-	-	N/A	-	-	Papain-like protease nsp3	56.3	-		No	-		83.3	17.1	86.7		-
7qck	1.92 Å	2022-03-16	X-ray	A7L, PO4	SARS-CoV-2	NSP3: PLpro	Functional ligand	20.19%	22.40%	N/A	PHOSPHATE ION; N-(2,5-dihydroxybenzylidene)-thiosemicarbazone	N-(2,5-dihydroxybenzylidene)-thiosemicarbazone; PHOSPHATE ION	DIALS	99.88%	9.33	PETRA III, DESY (P11)	PHENIX	2021-11-24	35480391	ZN	-	-	-	N/A	-	-	Papain-like protease nsp3	39.2	-		No	-		61.1	13.7	79.5		-
7qcm	1.77 Å	2022-03-16	X-ray	A3X, PO4	SARS-CoV-2	NSP3: PLpro	Functional ligand	18.14%	20.65%	N/A	N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone; PHOSPHATE ION	N-(3-metoxy-4-hydroxy-acetophenone)thiosemicarbazone; PHOSPHATE ION	DIALS	99.95%	14.0	PETRA III, DESY (P11)	PHENIX	2021-11-24	35480391	ZN	-	-	-	N/A	-	-	Papain-like protease nsp3	54.5	-		No	-		76.9	27.3	79.4		-
7rnw	2.35 Å	2022-03-16	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.07%	23.08%	25.40%	ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-ARG-GLU-SEC	-	XDS	99.90%	6.4	Australian Synchrotron (MX2)	REFMAC	2021-07-30	35432913	-	-	-	-	N/A	-	-	3C-like proteinase; ACE-DTY-LEU-GLN-TYR-ALA-VAL-LEU-ARG-HIS-LYS-ARG-ARG-GLU-SEC	42.6	-		No	-		54.3	94.4	12.2		-
7tew	3.52 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-01-06	35136050	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tey	2.25 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-01-06	35136050	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tez	3.27 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Pathogen-host interaction	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-01-06	35136050	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7thm	3.18 Å	2022-03-16	Cryo-EM	MN, POP	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12		N/A	N/A	N/A	PYROPHOSPHATE 2-; MANGANESE (II) ION	MANGANESE (II) ION; PYROPHOSPHATE 2-		-	-	()	PHENIX	2022-01-11	35194601	MN; ZN	-	-	-	N/A	-	-	Non-structural protein 9; Non-structural protein 7; Non-structural protein 8; RNA-directed RNA polymerase - UNP residues 4393-5324	N/A	-		No	-		N/A	N/A	N/A		-
7wpd	3.18 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-23	35133176	-	-	-	-	N/A	-	-	JMB2002 Fab heavy chain; Anti-Fab nanobody; JMB2002 Fab light chian; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wpf	2.92 Å	2022-03-16	Cryo-EM	NAG	SARS-CoV-2	Spike	Protein-protein complex	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-23	35133176	-	-	-	-	N/A	-	-	Spike glycoprotein; Anti-Fab nanobody; JMB2002 Fab light chain; JMB2002 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7wue	3.20 Å	2022-03-16	X-ray	-	SARS-CoV-2	Spike	Protein-protein complex	22.83%	29.54%	18.20%		-	iMOSFLM	99.30%	5.7	NSRRC (BL15A1)	PHENIX	2022-02-08	35230146	-	-	-	-	N/A	-	-	m31A7 Fab HEAVY CHAIN; m31A7 Fab LIGHT CHAIN; Spike protein S1	11.7	-		No	-		8.4	63.3	22.1		-
5smk	1.65 Å	2022-03-23	X-ray	PO4	SARS-CoV-2	NSP14	PanDDA fragment screening	19.06%	21.73%	N/A	PHOSPHATE ION	PHOSPHATE ION	XDS	91.50%	9.1	Diamond (I04-1)	REFMAC	2022-03-08	-	ZN	-	-	-	N/A	-	-	Proofreading exoribonuclease nsp14	46.8	-		No	-	-	67.7	31.3	69.9		-
7e9p	3.69 Å	2022-03-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-03-04	-	-	-	-	-	N/A	-	-	Heavy chain of 35B5 Fab; Spike glycoprotein; Light chain of 35B5 Fab	N/A	-		No	-	-	N/A	N/A	N/A		-
7f46	4.79 Å	2022-03-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-06-17	-	-	-	-	-	N/A	-	-	Spike glycoprotein - UNP residues 1-1208; Heavy chain of 35B5 Fab; Light chain of 35B5 Fab	N/A	-		No	-	-	N/A	N/A	N/A		-
7qcg	1.75 Å	2022-03-23	X-ray	DZI, PO4	SARS-CoV-2	NSP3: PLpro	No functional ligands	18.96%	19.83%	N/A	PHOSPHATE ION; 3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide	3,4,5-tris(oxidanyl)-N-[(E)-1H-pyrrol-2-ylmethylideneamino]benzamide; PHOSPHATE ION	DIALS	99.96%	12.39	PETRA III, DESY (P11)	PHENIX	2021-11-23	35480391	ZN	-	-	-	N/A	-	-	Papain-like protease nsp3	58.5	-		No	-		82.8	20.9	87.8		-
7rby	2.82 Å	2022-03-23	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	20.06%	28.68%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	iMOSFLM	80.30%	5.6	SSRL (BL9-2)	PHENIX	2021-07-06	35289719	MG	-	-	-	N/A	-	-	Ilama-isolated nanobody NIH-CoV nb-112 specific to SARS-CoV-2 RBD; Spike protein S1	23.9	-		No	-		11.2	89.2	22.7		-
7tj2	3.20 Å	2022-03-23	Cryo-EM	-	SARS-CoV-2	NSP15/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (31-MER); RNA (31-MER)	-		-	-	()	PHENIX; phenix.real_space_refine	2022-01-14	35801916	-	-	-	-	N/A	-	-	RNA (31-MER); RNA (31-MER); Uridylate-specific endoribonuclease nsp15	N/A	-		No	-		N/A	N/A	N/A	RNA (31-MER); RNA (31-MER)	-
7tqv	3.43 Å	2022-03-23	Cryo-EM	-	SARS-CoV-2	NSP15/RNA	Protein-protein complex	N/A	N/A	N/A	RNA (33-MER); RNA (33-MER)	-		-	-	()	PHENIX; phenix.real_space_refine	2022-01-27	35801916	-	-	-	-	N/A	-	-	RNA (33-MER); Uridylate-specific endoribonuclease; RNA (33-MER)	N/A	-		No	-		N/A	N/A	N/A	RNA (33-MER); RNA (33-MER)	-
7wpe	2.69 Å	2022-03-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-23	35133176	-	-	-	-	N/A	-	-	Spike glycoprotein; JMB2002 Fab light chian; Anti-Fab nanobody; JMB2002 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7wrv	2.47 Å	2022-03-23	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-27	35133176	-	-	-	-	N/A	-	-	Spike glycoprotein; JMB2002 Fab light chain; JMB2002 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7wuh	4.70 Å	2022-03-23	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-08	35230146	-	-	-	-	N/A	-	-	m31A7 Fab light chain; m31A7 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7z1a	2.59 Å	2022-03-23	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	20.83%	24.07%	12.50%		2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	14.6	Diamond (I03)	REFMAC	2022-02-24	35858383	-	-	-	-	N/A	-	-	Spike protein S1; F2 Nanobody; H11 Nanobody	19.9	-		No	-		44.3	15.0	55.0		-
7z1b	2.30 Å	2022-03-23	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	19.77%	24.33%	12.90%		2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	12.0	Diamond (I03)	REFMAC	2022-02-24	35858383	-	-	-	-	N/A	-	-	Spike protein S1; Nanobody F2; Nanobody A10	42.3	-		No	-		41.7	48.4	70.3		-
7z1c	1.90 Å	2022-03-23	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	17.49%	19.94%	4.30%		2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	96.40%	10.0	Diamond (I03)	REFMAC	2022-02-24	35858383	-	-	-	-	N/A	-	-	Spike protein S1; Nanobody F2; Nanobody B5	53.3	-		No	-		82.1	14.2	85.2		-
7z1d	1.55 Å	2022-03-23	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	16.67%	18.62%	8.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	98.50%	18.3	Diamond (I03)	REFMAC	2022-02-24	35858383	-	-	-	-	N/A	-	-	Spike protein S1; H11-H6 nanobody	72.3	-		No	-		89.6	39.3	92.1		-
7z1e	1.59 Å	2022-03-23	X-ray	NO3, NAG	SARS-CoV-2	Spike	Functional ligand	16.10%	20.23%	4.60%	2-acetamido-2-deoxy-beta-D-glucopyranose; NITRATE ION	NITRATE ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	24.9	Diamond (I03)	REFMAC	2022-02-24	35858383	-	-	-	-	N/A	-	-	Spike protein S1; H11-H4 Q98R H100E	51.8	-		No	-		80.1	34.7	63.7		-
7s82	3.50 Å	2022-03-30	Cryo-EM	-	SARS-CoV-2	NSP5 (3CLpro)	Protein-protein complex	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-09-17	-	-	-	-	-	N/A	-	-	3C-like proteinase - UNP residues 3259-3569	N/A	-		No	-	-	N/A	N/A	N/A		-
7tb8	2.83 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-21	35324257	-	-	-	-	N/A	-	-	The heavy chain of SARS-CoV-2 antiboddy antibody B1-182.1; The light chain of SARS-COV-2 antibody B1-182.1; Spike glycoprotein; The light chain of SARS-COV-2 antibody A19-61.1; The heavy chain of SARS-CoV-2 antibody A19-61.1	N/A	-		No	-		N/A	N/A	N/A		-
7tbf	3.10 Å	2022-03-30	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-21	35324257	-	-	-	-	N/A	-	-	Heavy chain of SARS-CoV-2 antibody A19-61.1; Light chain of SARS-CoV-2 antibody B1-182.1; Spike glycoprotein; Light chain of SARS-CoV-2 antibody A19-61.1; Heavy chain of SARS-CoV-2 antibody B1-182.1	N/A	-		No	-		N/A	N/A	N/A		-
7tc9	5.08 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-23	35324257	-	-	-	-	N/A	-	-	Light chain of antibody A19-46.1; Spike protein S1; Heavy chain of antibody A19-46.1	N/A	-		No	-		N/A	N/A	N/A		-
7tca	3.85 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-23	35324257	-	-	-	-	N/A	-	-	Heavy chain of antibody A19-46.1; Spike glycoprotein; Light chain of antibody A19-46.1	N/A	-		No	-		N/A	N/A	N/A		-
7tcc	3.86 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-23	35324257	-	-	-	-	N/A	-	-	Heavy chain of antibody A19-46.1; heavy chain of antibody B1-182.1; Light chain of antibody B1-182.1; Light chain of antibody A19-46.1; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7te1	3.50 Å	2022-03-30	X-ray	-	SARS-CoV-2	Spike	PPI	29.65%	34.42%	39.50%		-	XDS	99.98%	10.1	APS (21-ID-E)	PHENIX	2022-01-03	35303475	-	-	-	-	N/A	-	-	Ab17 heavy chain; Spike protein S1; Ab17 light chain	22.0	-		No	-		4.0	83.0	32.0		-
7tex	3.27 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-01-06	35136050	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7tf0	3.02 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-01-06	35136050	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tf1	3.57 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-01-06	35136050	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tf2	3.62 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-01-06	35136050	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tf3	2.25 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-01-06	35136050	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tf4	3.01 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-01-06	35136050	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tf5	3.16 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-01-06	35136050	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tqb	3.10 Å	2022-03-30	X-ray	-	SARS-CoV-2	Spike/RNA	PPI	22.94%	27.19%	N/A	RNA; DNA	-	xia2	98.70%	3.78	APS (22-ID)	PHENIX	2022-01-26	35347133	-	-	-	-	N/A	-	-	FAB S9.6 Heavy Chain; FAB S9.6 Light Chain; RNA; DNA	24.5	-		No	-		18.5	85.1	20.8	RNA	-
7u0d	4.80 Å	2022-03-30	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-17	35324257	-	-	-	-	N/A	-	-	Light chain of SARS-CoV-2 antibody A19-46.1; Light chain of SARS-CoV-2 antibody B1-182.1; Heavy chain of SARS-CoV-2 antibody B1-182.1; Heavy chain of SARS-CoV-2 antibody A19-46.1; Surface glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7u0n	2.61 Å	2022-03-30	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	18.84%	23.50%	5.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	92.60%	9.3	SSRL (BL12-1)	PHENIX	2022-02-18	35343765	MG; ZN	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain; Angiotensin-converting enzyme 2	34.0	-		No	-		49.8	30.7	63.6		-
7vfa	1.75 Å	2022-03-30	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	19.19%	22.54%	N/A		-	HKL-3000	99.74%	2.0	SSRF (BL19U1)	PHENIX	2021-09-11	35324337	-	-	-	-	N/A	-	-	NB1A2; 3C-like proteinase	38.4	-		No	-		59.8	15.9	77.1		-
7vfb	2.00 Å	2022-03-30	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	23.55%	26.36%	N/A		-	HKL-3000	96.45%	2.0	SSRF (BL19U1)	PHENIX	2021-09-11	35324337	-	-	-	-	N/A	-	-	3C-like proteinase; nb2b4	11.6	-		No	-		24.1	19.6	49.7		-
7vic	2.10 Å	2022-03-30	X-ray	ODN	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.59%	24.22%	12.90%	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one	CrysalisPro	99.70%	10.5	SEALED TUBE ()	REFMAC	2021-09-26	35600064	-	-	-	-	N/A	-	-	3C-like proteinase	19.9	-		No	-		42.7	19.3	52.2		-
7vtc	2.54 Å	2022-03-30	X-ray	4WI	MERS-CoV	NSP5 (3CLpro)	Functional ligand	19.18%	24.17%	4.80%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	92.00%	11.6	SSRF (BL02U1)	PHENIX	2021-10-28	35389231	-	-	-	-	N/A	-	-	3C-like proteinase	46.7	-		No	-		43.4	86.0	39.5		-
7wph	2.89 Å	2022-03-30	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	22.86%	26.94%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.81%	8.31	Australian Synchrotron (MX2)	PHENIX	2022-01-23	36138032	-	-	-	-	N/A	-	-	FAB light chain; Spike protein S1 - RBD; Fab heavy chain	11.2	-		No	-		19.9	42.6	29.8		-
7e9n	3.69 Å	2022-04-06	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-03-04	-	-	-	-	-	N/A	-	-	Heavy chain of 35B5 Fab; Light chain of 35B5 Fab; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7enf	2.76 Å	2022-04-06	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-04-16	-	-	-	-	-	N/A	-	-	Heavy chain of Fab30; Spike glycoprotein - UNP residues 1-1208; Light chain of Fab30	N/A	-		No	-	-	N/A	N/A	N/A		-
7eng	3.59 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-04-16	-	-	-	-	-	N/A	-	-	Heavy chain of Fab30; Spike glycoprotein - UNP residues 1-1208; Light chain of Fab30	N/A	-		No	-	-	N/A	N/A	N/A		-
7rzq	2.09 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2021-08-27	35363556	-	-	-	-	N/A	-	-	Spike protein S2'; SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2'	N/A	-		No	-		N/A	N/A	N/A		-
7rzr	2.27 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2021-08-27	35363556	-	-	-	-	N/A	-	-	SARS-CoV-2 HR1 D936Y linked to a scaffold,Spike protein S2'; Spike protein S2'	N/A	-		No	-		N/A	N/A	N/A		-
7rzs	2.52 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2021-08-27	35363556	-	-	-	-	N/A	-	-	SARS-CoV-2 HR1 L938F linked to a scaffold,Spike protein S2'; Spike protein S2'	N/A	-		No	-		N/A	N/A	N/A		-
7rzt	2.35 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2021-08-27	35363556	-	-	-	-	N/A	-	-	Spike protein S2'; SARS-CoV-2 HR1 S940F linked to a scaffold,Spike protein S2'	N/A	-		No	-		N/A	N/A	N/A		-
7rzu	2.30 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2021-08-27	35363556	-	-	-	-	N/A	-	-	SARS-CoV-2 HR1 A942S linked to a scaffold,Spike protein S2'; Spike protein S2'	N/A	-		No	-		N/A	N/A	N/A		-
7rzv	2.11 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2021-08-27	35363556	-	-	-	-	N/A	-	-	Spike protein S2'; SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2'	N/A	-		No	-		N/A	N/A	N/A		-
7smv	1.93 Å	2022-04-06	X-ray	UED	FIPV	NSP5 (3CLpro)	Functional ligand	19.08%	24.49%	N/A	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	99.90%	18.52	CLSI (08B1-1)	PHENIX	2021-10-26	35281564	-	-	-	-	N/A	-	-	3C-like proteinase	15.3	-		No	-		40.4	29.7	33.4		-
7sna	2.05 Å	2022-04-06	X-ray	UED	FIPV	NSP5 (3CLpro)	Functional ligand	17.36%	22.68%	N/A	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	99.74%	15.94	CLSI (08B1-1)	PHENIX	2021-10-27	35281564	-	-	-	-	N/A	-	-	3C-like proteinase	56.0	-		No	-		58.4	70.8	57.5		-
7tik	2.40 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2022-01-13	36940324	-	-	-	-	N/A	-	-	Ferritin, Dps family protein and Spike protein S2' chimera; Spike protein S2'	N/A	-		No	-		N/A	N/A	N/A		-
7vah	1.49 Å	2022-04-06	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	19.32%	21.66%	3.70%		-	XDS	98.80%	21.62	SSRF (BL19U1)	PHENIX	2021-08-29	35380892	-	-	-	-	N/A	-	-	3C-like proteinase	46.3	-		No	-		68.4	18.9	80.8		-
7vlo	2.02 Å	2022-04-06	X-ray	4WI	SARS-CoV	NSP5 (3CLpro)	Functional ligand	20.38%	23.44%	2.60%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	HKL-2000	95.70%	9.8	SSRF (BL17U1)	PHENIX; PHENIX	2021-10-05	35389231	-	-	-	-	N/A	-	-	3C-like proteinase	53.0	-		No	-		50.7	68.2	62.0		-
7vlp	1.50 Å	2022-04-06	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.46%	21.91%	3.50%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	HKL-2000	97.70%	15.0	SSRF (BL17U1)	PHENIX	2021-10-05	35389231	-	-	-	-	N/A	-	-	Replicase polyprotein 1a	57.7	-		No	-		65.8	39.4	84.8		-
7vlq	1.94 Å	2022-04-06	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.99%	22.85%	3.40%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	HKL-2000	95.50%	15.3	SSRF (BL17U1)	PHENIX	2021-10-05	35389231	-	-	-	-	N/A	-	-	3C-like proteinase	68.5	-		No	-		56.6	70.5	85.2		-
7vth	2.00 Å	2022-04-06	X-ray	7XB	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.50%	25.68%	9.00%	2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide	2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide	CrysalisPro	99.50%	8.6	ROTATING ANODE ()	REFMAC	2021-10-29	35352927	-	-	-	-	N/A	-	-	3C-like proteinase	53.0	-		No	-		29.4	91.0	60.4		-
7vu6	1.80 Å	2022-04-06	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.41%	27.90%	6.00%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	CrysalisPro	99.80%	20.5	ROTATING ANODE ()	REFMAC	2021-11-01	35352927	-	-	-	-	N/A	-	-	3C-like proteinase	25.7	-		No	-		14.5	73.1	39.4		-
7wvp	3.70 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2022-02-10	35228716	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7wvq	4.04 Å	2022-04-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-02-10	35228716	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ejy	3.04 Å	2022-04-13	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	21.44%	25.35%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		92.73%	10.61	SSRF (BL17U1)	PHENIX	2021-04-03	34480123	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor binding domain; Light Chain of BD-503; Heavy Chain of BD-503	23.6	-		No	-		32.1	79.0	11.4		-
7ejz	3.63 Å	2022-04-13	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	24.11%	28.41%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		95.96%	7.96	SSRF (BL17U1)	PHENIX	2021-04-03	34480123	-	-	-	-	N/A	-	-	Light Chain of BD-503; Heavy Chain of BD-503; Spike protein S1 - Receptor binding domain	14.7	-		No	-		12.2	81.6	8.1		-
7ek0	2.70 Å	2022-04-13	X-ray	-	SARS-CoV-2	Spike	PPI	21.39%	26.60%	23.20%		-		94.68%	16.64	SSRF (BL17U1)	PHENIX	2021-04-03	34480123	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor binding domain; Light Chain of BD-503; Heavy Chain of BD-503	17.6	-		No	-		22.2	56.6	30.2		-
7fjo	3.34 Å	2022-04-13	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-08-04	35291264	-	-	-	-	N/A	-	-	Spike glycoprotein; T6 light chain; T6 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7o05	1.94 Å	2022-04-13	X-ray	-	SARS-CoV-2	Nucleocapsid	PPI	17.72%	23.30%	16.70%		-	XDS	96.20%	6.2	ALBA (XALOC)	REFMAC	2021-03-25	35842466	-	-	-	-	N/A	-	-	Nucleoprotein	56.1	-		No	-		51.9	81.3	53.6		-
7o35	1.80 Å	2022-04-13	X-ray	GTP	SARS-CoV-2	Nucleocapsid	Functional ligand	15.58%	20.33%	6.60%	GUANOSINE-5'-TRIPHOSPHATE	GUANOSINE-5'-TRIPHOSPHATE	XDS	99.40%	17.8	ALBA (XALOC)	REFMAC	2021-04-01	35842466	-	-	-	-	N/A	-	-	Nucleoprotein	79.7	-		No	-		79.4	91.8	70.6		-
7o36	2.00 Å	2022-04-13	X-ray	GTP	SARS-CoV-2	Nucleocapsid	Functional ligand	18.98%	24.06%	8.20%	GUANOSINE-5'-TRIPHOSPHATE	GUANOSINE-5'-TRIPHOSPHATE	XDS	95.50%	8.9	ALBA (XALOC)	REFMAC	2021-04-01	35842466	-	-	-	-	N/A	-	-	Nucleoprotein	58.8	-		No	-		44.3	91.6	56.2		-
7t01	2.69 Å	2022-04-13	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2021-11-29	34592170	-	-	-	-	N/A	-	-	Spike protein S1; 54042-4 Fab - Heavy Chain; 54042-4 Fab - Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7ult	1.90 Å	2022-04-13	X-ray	FMT, NA	SARS-CoV-2	NSP10/NSP16	Functional ligand	16.44%	18.75%	13.00%	FORMIC ACID; SODIUM ION	FORMIC ACID; SODIUM ION	HKL-3000	99.70%	19.1	APS (21-ID-D)	REFMAC	2022-04-05	-	ZN; NA	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	-	-		No	-	-	89.1	-	-		-
7wed	3.50 Å	2022-04-13	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-23	35090164	-	-	-	-	N/A	-	-	Spike protein S1; The light chain of Fab XGv347; The heavy chain of Fab XGv347	N/A	-		No	-		N/A	N/A	N/A		-
7wlc	4.00 Å	2022-04-13	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-13	35090164	-	-	-	-	N/A	-	-	Heavy chain of XGv282; Light chain of XGv282; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7wo1	2.15 Å	2022-04-13	X-ray	3XI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.74%	22.31%	N/A	N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide	N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]cyclohexanecarboxamide		97.00%	23.6	SSRF (BL19U1)	PHENIX	2022-01-20	35216507	-	-	-	-	N/A	-	-	3C-like proteinase	53.9	-		No	-		62.0	33.2	87.3		-
7wo3	2.01 Å	2022-04-13	X-ray	59S	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.67%	24.30%	N/A	(2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide	(2S)-2-[[(2S)-2-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]-3-methyl-butanoyl]amino]-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]pentanamide	HKL-3000	98.30%	10.4	SSRF (BL19U1)	PHENIX	2022-01-20	35216507	-	-	-	-	N/A	-	-	3C-like proteinase	40.3	-		No	-		41.9	55.8	58.7		-
7wof	1.72 Å	2022-04-13	X-ray	5IZ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.83%	20.36%	N/A	(2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide	(2S,3S)-3-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(E)-3-phenylprop-2-enoyl]amino]pentanamide	HKL-3000	96.50%	44.7	SSRF (BL19U1)	PHENIX	2022-01-21	35216507	-	-	-	-	N/A	-	-	3C-like proteinase	58.6	-		No	-		79.2	21.8	90.7		-
7woh	1.72 Å	2022-04-13	X-ray	5IW	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.94%	21.57%	N/A	(2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide	(2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide		97.00%	40.6	SSRF (BL19U1)	PHENIX	2022-01-21	35216507	-	-	-	-	N/A	-	-	3C-like proteinase	42.1	-		No	-		69.2	18.1	72.8		-
7x7d	2.92 Å	2022-04-13	X-ray	-	SARS-CoV-2	Spike	PPI	20.54%	25.57%	N/A		-		93.80%	6.9	SSRF (BL02U1)	PHENIX	2022-03-09	35371009	-	-	-	-	N/A	-	-	Spike protein S1 - Delta RBD; Nb22	14.5	-		No	-		30.3	20.8	50.4		-
7z0x	1.80 Å	2022-04-13	X-ray	EPE	SARS-CoV-2	Spike	Functional ligand	16.25%	18.75%	1.95%	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID	autoPROC	92.00%	20.3	Diamond (I04)	PHENIX	2022-02-23	35482816	-	-	-	-	N/A	-	-	THSC20.HVTR26 Fab light chain; Spike protein S1; THSC20.HVTR26 Fab heavy chain	68.7	-		No	-		89.1	30.7	93.0		-
7z0y	2.95 Å	2022-04-13	X-ray	-	SARS-CoV-2	Spike	PPI	21.87%	24.09%	5.63%		-	autoPROC	78.00%	17.4	Diamond (I04)	PHENIX	2022-02-23	35482816	-	-	-	-	N/A	-	-	Spike protein S1; THSC20.HVTR04 Fab heavy chain; THSC20.HVTR04 Fab light chain	39.6	-		No	-		44.1	28.9	82.1		-
7pnm	3.70 Å	2022-04-20	Cryo-EM	NAG	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-09-07	35614127	-	-	-	-	N/A	-	-	46C12 antibody heavy chain; 46C12 antibody light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7pnq	3.70 Å	2022-04-20	Cryo-EM	NAG	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-09-07	35614127	-	-	-	-	N/A	-	-	Spike glycoprotein; 43E6 antibody light chain; 43E6 antibody heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7po5	3.90 Å	2022-04-20	Cryo-EM	NAG	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-09-08	35614127	-	-	-	-	N/A	-	-	Spike glycoprotein; 47C9 antibody light chain; 47C9 antibody heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7r40	2.90 Å	2022-04-20	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-08	35471062	-	-	-	-	N/A	-	-	87G7 light chain variable region; 87G7 heavy chain variable region; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7rq6	4.18 Å	2022-04-20	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-08-05	35123652	-	-	-	-	N/A	-	-	Spike glycoprotein; CV3-13 Fab heavy chain; CV3-13 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7tpr	2.39 Å	2022-04-20	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-25	34751270	-	-	-	-	N/A	-	-	Nanobody 8A2; Nanobody 7A3; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ub0	3.31 Å	2022-04-20	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-14	35732171	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ub5	3.35 Å	2022-04-20	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-14	35732171	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ub6	3.52 Å	2022-04-20	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-14	35732171	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7x7e	2.67 Å	2022-04-20	X-ray	PG4	SARS-CoV-2	Spike	PPI	20.45%	24.95%	N/A		TETRAETHYLENE GLYCOL		99.80%	12.3	SSRF (BL18U1)	PHENIX	2022-03-09	35371009	-	-	-	-	N/A	-	-	Nb22; Spike protein S1	16.0	-		No	-		35.7	20.0	49.4		-
7fjn	3.25 Å	2022-04-27	Cryo-EM	NAG	HIV-1/SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-08-04	35291264	-	-	-	-	N/A	-	-	Spike glycoprotein,Envelope glycoprotein; T6 heavy chain; T6 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7fjs	2.90 Å	2022-04-27	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	21.71%	28.49%	22.70%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.70%	3.4	SSRF (BL18U1)	PHENIX	2021-08-04	35291264	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain; T6 heavy chain; T6 light chain	7.9	-		No	-		12.0	28.5	40.9		-
7ql8	1.81 Å	2022-04-27	X-ray	NA, I70	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.45%	30.02%	N/A	SODIUM ION; (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	SODIUM ION; (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	86.10%	3.57	PETRA III, DESY (P11)	REFMAC	2021-12-19	35807537	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	15.8	-		No	-		7.2	55.5	41.8		-
7sd5	1.53 Å	2022-04-27	X-ray	-	SARS-CoV-2	Spike	PPI	17.63%	20.62%	4.50%		-	XDS	97.10%	17.5	APS (24-ID-E)	REFMAC	2021-09-29	35438546	-	-	-	-	N/A	-	-	10-40 Heavy chain; 10-40 Light chain; Spike protein S1 - receptor binding domain (UNP residues 319-537)	73.1	-		No	-		77.1	67.7	78.4		-
7si2	3.20 Å	2022-04-27	X-ray	-	SARS-CoV-2	Spike	PPI	19.84%	26.12%	18.00%		-	XDS	100.00%	7.5	APS (24-ID-E)	PHENIX	2021-10-12	35438546	-	-	-	-	N/A	-	-	Spike protein S1 - receptor-binding domain (UNP reisdues 319-537); 10-28 Heavy Chain; 10-28 Light Chain	38.7	-		No	-		25.7	84.7	43.1		-
7swn	4.30 Å	2022-04-27	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2021-11-20	35536154	-	-	-	-	N/A	-	-	G32A4 Fab light chain; G32A4 Fab heavy chain; Spike protein S1 - RBD domain	N/A	-		No	-		N/A	N/A	N/A		-
7swo	4.10 Å	2022-04-27	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2021-11-20	35536154	-	-	-	-	N/A	-	-	C98C7 Fab light chain; C98C7 Fab heavy chain; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7swp	3.80 Å	2022-04-27	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-11-20	35536154	-	-	-	-	N/A	-	-	Spike protein S1; G32Q4 Fab heavy chain; G32Q4 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7ttm	2.24 Å	2022-04-27	X-ray	NAG	Bat-CoV-SHC014	Spike	Functional ligand	20.13%	25.60%	18.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.60%	6.4	APS (24-ID-C)	PHENIX	2022-02-01	35438546	-	-	-	-	N/A	-	-	1040 light chain; 1040 heavy chain; Spike protein S1 - receptor-binding domain (UNP residues 307-528)	41.8	-		No	-		29.8	48.6	80.9		-
7ttx	2.80 Å	2022-04-27	X-ray	NAG	Bat-CoV-RaTG13	Spike	Functional ligand	22.22%	32.11%	17.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.90%	8.8	APS (24-ID-E)	PHENIX	2022-02-02	35438546	-	-	-	-	N/A	-	-	1040 light chain; Spike glycoprotein - receptor-binding domain (UNP residues 319-541); 1040 heavy chain	21.3	-		No	-		4.9	42.8	69.8		-
7uap	2.80 Å	2022-04-27	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-13	35447092	-	-	-	-	N/A	-	-	C1520 Fab Light Chain; C1520 Fab Heavy Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7uaq	3.10 Å	2022-04-27	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-13	35447092	-	-	-	-	N/A	-	-	C1520 Fab Light Chain; Spike glycoprotein; C1520 Fab Heavy Chain	N/A	-		No	-		N/A	N/A	N/A		-
7uar	3.50 Å	2022-04-27	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-13	35447092	-	-	-	-	N/A	-	-	C1717 Fab Heavy Chain; Spike glycoprotein; C1717 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7x7n	4.47 Å	2022-04-27	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	Synthetic peptide SIH-5; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-10	35654847	-	-	-	-	N/A	-	-	Synthetic peptide SIH-5; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7z0p	2.52 Å	2022-04-27	X-ray	I8H, NA	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.35%	28.98%	4.00%	(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide; SODIUM ION	(1~{R},2~{S},5~{S})-3-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-~{N}-[(2~{S},3~{R})-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide; SODIUM ION	XDS	99.00%	16.2	PETRA III, DESY (P11)	REFMAC	2022-02-23	35807537	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	13.6	-		No	-		10.0	64.3	24.8		-
7p2g	2.50 Å	2022-05-04	X-ray	4N0	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.44%	27.74%	N/A	(4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide	(4~{R})-~{N}-(4-iodophenyl)-2-oxidanylidene-3,4-dihydro-1~{H}-quinoline-4-carboxamide	XDS	98.65%	8.38	SLS (X06SA)	PHENIX	2021-07-05	35169179	-	-	-	-	N/A	-	-	3C-like proteinase	28.1	-		No	-		15.4	45.6	71.0		-
7qt5	2.26 Å	2022-05-04	X-ray	GWS	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.76%	23.13%	170.00%	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide	2-cyclohexyl-~{N}-pyridin-3-yl-ethanamide	xia2	98.60%	9.9	Diamond (I24)	REFMAC	2022-01-14	35647922	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	61.1	-		No	-		53.7	95.7	47.2		-
7qt6	2.11 Å	2022-05-04	X-ray	RZJ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.71%	22.21%	17.00%	1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide	1-methyl-3,4-dihydro-2~{H}-quinoline-7-sulfonamide	xia2	99.70%	7.9	Diamond (I24)	REFMAC	2022-01-14	35647922	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	68.0	-		No	-		63.0	88.6	59.8		-
7qt7	2.25 Å	2022-05-04	X-ray	UHV	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.29%	21.63%	16.20%	N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-(5-tert-butyl-1,2-oxazol-3-yl)-N-[(1R)-2-[(4-methoxy-2-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	xia2	95.20%	8.9	Diamond (I24)	REFMAC	2022-01-14	35647922	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	77.2	-		No	-		68.6	83.5	81.9		-
7qt8	2.01 Å	2022-05-04	X-ray	R8H	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.37%	23.65%	17.00%	(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide	(2~{R})-5-oxidanylidene-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]-1-(phenylmethyl)pyrrolidine-2-carboxamide	xia2	95.20%	9.9	Diamond (I24)	REFMAC	2022-01-14	35647922	-	-	-	-	N/A	-	-	3C-like proteinase	56.9	-		No	-		48.4	81.2	58.7		-
7qt9	2.43 Å	2022-05-04	X-ray	UJ1	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	14.96%	20.03%	16.60%	N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	N-(5-tert-butyl-1H-pyrazol-3-yl)-N-[(1R)-2-[(2-ethyl-6-methylphenyl)amino]-2-oxo-1-(pyridin-3-yl)ethyl]propanamide	xia2	97.90%	10.8	Diamond (I24)	REFMAC	2022-01-14	35647922	-	-	-	-	N/A	-	-	Non-structural protein 6	77.0	-		No	-		81.5	88.6	63.2		-
7rbu	3.70 Å	2022-05-04	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-06	35467422	-	-	-	-	N/A	-	-	PVI.V6-14 Fab light chain, variable region; PVI.V6-14 Fab heavy chain, variable region; Spike protein S1 - N-terminal domain (UNP residues 14-307)	N/A	-		No	-		N/A	N/A	N/A		-
7rbv	3.60 Å	2022-05-04	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-07-06	35467422	-	-	-	-	N/A	-	-	PVI.V6-14 Fab light chain, variable region; PVI.V6-14 Fab heavy chain, variable region; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7sb3	3.30 Å	2022-05-04	Cryo-EM	8Z9, NAG	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	Sapienic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose	Sapienic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-09-23	35507649	-	-	-	-	N/A	-	-	Spike protein; Human polyclonal Fab model with polyalanine backbone - Heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7sb4	4.70 Å	2022-05-04	Cryo-EM	8Z9, NAG	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	Sapienic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose	Sapienic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-09-23	35507649	-	-	-	-	N/A	-	-	Spike protein; Human polyclonal Fab model with polyalanine backbone - Heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7sb5	4.20 Å	2022-05-04	Cryo-EM	NAG, PLM	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; PALMITIC ACID	2-acetamido-2-deoxy-beta-D-glucopyranose; PALMITIC ACID		-	-	()		2021-09-23	35507649	-	-	-	-	N/A	-	-	Spike protein; Human polyclonal Fab model with polyalanine backbone - Heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7sbv	3.10 Å	2022-05-04	Cryo-EM	NAG, 8Z9	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	Sapienic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; Sapienic acid		-	-	()		2021-09-26	35507649	-	-	-	-	N/A	-	-	Spike protein; Human polyclonal Fab model with polyalanine backbone - Heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7sbw	3.20 Å	2022-05-04	Cryo-EM	8Z9, NAG	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; Sapienic acid	Sapienic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-09-26	35507649	-	-	-	-	N/A	-	-	Human polyclonal Fab model with polyalanine backbone - Heavy chain; Spike protein	N/A	-		No	-		N/A	N/A	N/A		-
7sbx	3.00 Å	2022-05-04	Cryo-EM	NAG, 8Z9	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; Sapienic acid	2-acetamido-2-deoxy-beta-D-glucopyranose; Sapienic acid		-	-	()		2021-09-26	35507649	-	-	-	-	N/A	-	-	Spike protein; Human polyclonal Fab model with polyalanine backbone - Heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7sby	3.00 Å	2022-05-04	Cryo-EM	8Z9, NAG	HC_OC43	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; Sapienic acid	Sapienic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-09-26	35507649	-	-	-	-	N/A	-	-	Human polyclonal Fab model with polyalanine backbone - Heavy chain; Spike protein	N/A	-		No	-		N/A	N/A	N/A		-
7tgr	1.68 Å	2022-05-04	X-ray	B1S, NA, K, K36	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.20%	22.50%	6.00%	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; SODIUM ION; POTASSIUM ION; (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	97.80%	11.2	APS (24-ID-C)	PHENIX	2022-01-09	35471084	K; NA	-	-	-	N/A	-	-	3C-like proteinase - UNP residues 3264-3567	68.7	-		No	-		60.1	55.9	96.9		-
7tia	1.64 Å	2022-05-04	X-ray	XTP, SCN	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.26%	19.05%	5.50%	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate; THIOCYANATE ION	benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate; THIOCYANATE ION	XDS	98.10%	15.5	APS (24-ID-C)	PHENIX	2022-01-13	35393402	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	69.2	-		No	-		87.5	42.4	84.0		-
7tiu	1.65 Å	2022-05-04	X-ray	V46, PO4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.81%	19.57%	4.30%	(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; PHOSPHATE ION	(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; PHOSPHATE ION	XDS	98.20%	17.6	APS (24-ID-C)	PHENIX	2022-01-14	35393402	MG	-	-	-	N/A	-	-	3C-like proteinase nsp5	56.3	-		No	-		84.6	30.8	71.8		-
7tiv	2.08 Å	2022-05-04	X-ray	W48	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.58%	21.57%	25.60%	(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid	(1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid	XDS	98.50%	9.0	APS (24-ID-C)	PHENIX	2022-01-14	35393402	MG	-	-	-	N/A	-	-	3C-like proteinase nsp5	40.7	-		No	-		69.2	17.4	70.6		-
7tiw	1.68 Å	2022-05-04	X-ray	PO4, I54	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.39%	19.85%	5.90%	(1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; PHOSPHATE ION	PHOSPHATE ION; (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	98.50%	14.4	APS (24-ID-C)	PHENIX	2022-01-14	35393402	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	52.0	-		No	-		82.7	29.2	66.9		-
7tix	2.00 Å	2022-05-04	X-ray	Q56	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.22%	21.49%	14.50%	N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	98.10%	10.6	APS (24-ID-C)	PHENIX	2022-01-14	35393402	MG	-	-	-	N/A	-	-	3C-like proteinase nsp5	42.0	-		No	-		70.0	30.9	58.9		-
7tiy	1.79 Å	2022-05-04	X-ray	PO4, Y48	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.54%	19.46%	11.70%	PHOSPHATE ION; (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid	PHOSPHATE ION; (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid	XDS	98.80%	9.6	APS (24-ID-C)	PHENIX	2022-01-14	35393402	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	72.1	-		No	-		85.2	68.5	66.9		-
7tiz	1.55 Å	2022-05-04	X-ray	SCN, NA, N63	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.04%	19.06%	5.60%	THIOCYANATE ION; (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid; SODIUM ION	THIOCYANATE ION; SODIUM ION; (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid	XDS	97.80%	16.7	APS (24-ID-C)	PHENIX	2022-01-14	35393402	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	51.3	-		No	-		87.5	20.9	69.2		-
7tj0	2.17 Å	2022-05-04	X-ray	S4L	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.61%	21.73%	18.20%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	98.10%	7.3	APS (24-ID-C)	PHENIX	2022-01-14	35393402	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	72.4	-		No	-		67.7	83.4	70.2		-
7tty	3.11 Å	2022-05-04	X-ray	-	Bat-CoV-WIV1	Spike	PPI	23.46%	32.93%	19.00%		-	XDS	99.60%	2.0	APS (24-ID-E)	PHENIX; PHENIX	2022-02-02	35438546	-	-	-	-	N/A	-	-	1040 light chain; Spike protein S1 - receptor-binding domain (UNP residues 322-515); 1040 heavy chain	28.9	-		No	-		4.5	32.4	96.8		-
7u2d	2.76 Å	2022-05-04	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	21.95%	25.86%	11.40%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	97.60%	6.4	APS (23-ID-B)	PHENIX	2022-02-23	35767670	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor binding domain, UNP residues 333-530; ADG20 light chain; ADG20 heavy chain	18.8	-		No	-		27.8	41.0	43.1		-
7u2e	2.85 Å	2022-05-04	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	25.41%	28.44%	14.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	5.4	SSRL (BL12-1)	PHENIX	2022-02-23	35767670	-	-	-	-	N/A	-	-	ADI-55688 light chain; Spike protein S1 - Receptor binding domain, UNP residues 333-530; ADI-55688 heavy chain	8.6	-		No	-		12.1	38.4	33.4		-
7urq	2.05 Å	2022-05-04	X-ray	NAG	SARS-CoV-2	Spike	PPI	17.74%	20.79%	12.80%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	93.30%	19.9	SSRL (BL12-2)	PHENIX	2022-04-22	37334379	-	-	-	-	N/A	-	-	COV11 Fab LIGHT CHAIN; Spike protein S1; COV11 Fab HEAVY CHAIN	48.8	-		No	-		75.9	39.5	57.5		-
7urs	2.40 Å	2022-05-04	X-ray	PO4, MPD, NAG	SARS-CoV-2	Spike	Functional ligand	17.85%	22.36%	12.60%	(4S)-2-METHYL-2,4-PENTANEDIOL; PHOSPHATE ION	PHOSPHATE ION; (4S)-2-METHYL-2,4-PENTANEDIOL; 2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	92.30%	17.5	SSRL (BL12-2)	PHENIX	2022-04-22	37334379	-	-	-	-	N/A	-	-	COV11 Fab HEAVY CHAIN; COV11 Fab HEAVY CHAIN; Spike protein S1	27.8	-		No	-		61.6	30.6	39.0		-
7we7	3.80 Å	2022-05-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-23	35090164	-	-	-	-	N/A	-	-	The light chain of Fab 282; Spike glycoprotein; Heavy chain of Fab 282	N/A	-		No	-		N/A	N/A	N/A		-
7we8	3.50 Å	2022-05-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-23	35090164	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of Fab 265; Light chain of Fab 265	N/A	-		No	-		N/A	N/A	N/A		-
7we9	3.60 Å	2022-05-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-23	35090164	-	-	-	-	N/A	-	-	Spike glycoprotein; The heavy chain of Fab XGv289; The light chain of Fab XGv289	N/A	-		No	-		N/A	N/A	N/A		-
7wea	3.30 Å	2022-05-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-23	35090164	-	-	-	-	N/A	-	-	Spike glycoprotein; The heavy chain of Fab XGv347; The light chain of Fab XGv347	N/A	-		No	-		N/A	N/A	N/A		-
7web	3.70 Å	2022-05-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-23	35090164	-	-	-	-	N/A	-	-	Spike glycoprotein; The light chain of Fab XGv347; The heavy chain of Fab XGv347	N/A	-		No	-		N/A	N/A	N/A		-
7wec	3.30 Å	2022-05-04	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-23	35090164	-	-	-	-	N/A	-	-	Spike glycoprotein; The light chain of Fab XGv347; The heavy chain of Fab XGv347	N/A	-		No	-		N/A	N/A	N/A		-
7wee	4.00 Å	2022-05-04	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-23	35090164	-	-	-	-	N/A	-	-	Spike glycoprotein; The heavy chain of Fab XGv265; The light chain of Fab XGv265	N/A	-		No	-		N/A	N/A	N/A		-
7wef	3.80 Å	2022-05-04	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-23	35090164	-	-	-	-	N/A	-	-	Spike protein S1; The heavy chain of Fab XGv289; The light chain of Fab XGv289	N/A	-		No	-		N/A	N/A	N/A		-
7z3z	3.10 Å	2022-05-04	Cryo-EM	STE, NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; STEARIC ACID	STEARIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-03	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7s6i	3.20 Å	2022-05-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-14	35549549	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7s6j	3.40 Å	2022-05-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-14	35549549	-	-	-	-	N/A	-	-	J08 fragment antigen binding light chain variable domain; Spike glycoprotein; J08 fragment antigen binding heavy chain variable domain	N/A	-		No	-		N/A	N/A	N/A		-
7s6k	3.40 Å	2022-05-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-14	35549549	-	-	-	-	N/A	-	-	Spike glycoprotein; J08 fragment antigen binding light chain variable domain; J08 fragment antigen binding heavy chain variable domain	N/A	-		No	-		N/A	N/A	N/A		-
7s6l	4.00 Å	2022-05-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-14	35549549	-	-	-	-	N/A	-	-	Spike glycoprotein; J08 fragment antigen binding heavy chain variable domain; J08 fragment antigen binding light chain variable domain	N/A	-		No	-		N/A	N/A	N/A		-
7sbu	2.53 Å	2022-05-11	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	22.04%	26.11%	12.80%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.70%	7.8	SSRL (BL12-1)	PHENIX	2021-09-25	35549549	-	-	-	-	N/A	-	-	J08 Fab light chain; Spike protein S1 - Receptor binding domain, UNP residues 333-530; J08 Fab heavy chain	28.7	-		No	-		25.7	51.2	56.2		-
7uv5	1.45 Å	2022-05-11	X-ray	-	SARS-CoV-2	NSP3: PLpro	PPI	13.64%	17.86%	7.50%		-	HKL-3000	99.40%	8.0	APS (19-ID)	REFMAC	2022-04-29	37185902	ZN	-	-	-	N/A	-	-	Ubiquitin; Ubiquitin; Papain-like protease nsp3	59.0	-		No	-		92.6	13.5	86.4		-
7whi	2.93 Å	2022-05-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-30	35344711	-	-	-	-	N/A	-	-	Spike glycoprotein; Bn03_nano1; Bn03_nano2	N/A	-		No	-		N/A	N/A	N/A		-
7whj	3.27 Å	2022-05-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-30	35344711	-	-	-	-	N/A	-	-	Bn03_nano1; Bn03_nano2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7whk	3.01 Å	2022-05-11	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-30	35344711	-	-	-	-	N/A	-	-	Bn03_nano1; Spike glycoprotein; Bn03_nano2	N/A	-		No	-		N/A	N/A	N/A		-
7x9e	2.60 Å	2022-05-11	X-ray	-	SARS-CoV-2	Spike	Functional ligand	19.49%	24.32%	13.40%	Spike peptide	-	HKL-3000	99.60%	18.8	SSRF (BL18U1)	PHENIX	2022-03-15	35773398	-	-	-	-	N/A	-	-	Spike peptide; 76E1 Fab Light Chain; 76E1 Fab Heavy Chain	40.2	-		No	-		41.8	88.1	26.3		-
7epx	3.00 Å	2022-05-18	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-04-28	35443747	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain of GW01; light chain of GW01	N/A	-		No	-		N/A	N/A	N/A		-
7fat	1.99 Å	2022-05-18	X-ray	-	SARS-CoV-2	Spike	PPI	19.27%	24.22%	N/A		-	HKL-3000	100.00%	11.2	SSRF (BL19U1)	PHENIX	2021-07-07	-	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor-binding domain (RBD); nb_1A7	57.8	-		No	-	-	42.7	53.5	93.8		-
7qez	2.89 Å	2022-05-18	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	23.86%	28.10%	26.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.40%	10.2	SOLEIL (PROXIMA 2)	PHENIX	2021-12-03	35704748	-	-	-	-	N/A	-	-	CR3022 light chain; CR3022 heavy chain; CV2.1169 light chain; CV2.1169 IgA heavy chain; Spike protein S1	24.0	-		No	-		13.5	43.8	66.0		-
7qf0	2.30 Å	2022-05-18	X-ray	-	SARS-CoV-2	Spike	Functional ligand	18.49%	22.13%	14.70%	SODIUM ION	SODIUM ION	XDS	99.90%	17.4	SOLEIL (PROXIMA 2)	PHENIX	2021-12-03	35704748	-	-	-	-	N/A	-	-	CV2.2325 heavy chain; CV2.2325 light chain; Spike protein S1	57.4	-		No	-		63.8	42.2	83.2		-
7qf1	2.80 Å	2022-05-18	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	22.86%	25.40%	44.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	10.4	SOLEIL (PROXIMA 2)	PHENIX	2021-12-03	35704748	-	-	-	-	N/A	-	-	Spike protein S1; CV2.6264 light chain; CV2.6264 heavy chain	45.6	-		No	-		31.6	58.8	76.2		-
7wg6	3.40 Å	2022-05-18	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-28	35120603	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7zdq	3.20 Å	2022-05-18	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-03-29	35849637	-	-	-	-	N/A	-	-	Spike protein S1; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7f5g	1.75 Å	2022-05-25	X-ray	-	SARS-CoV-2	Spike	Functional ligand	18.79%	21.72%	11.20%	alpha-L-fucopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)][alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	-	HKL-2000	100.00%	14.0	SSRF (BL18U1)	PHENIX	2021-06-22	35460753	-	-	-	-	N/A	-	-	Nanobody DL4; Spike glycoprotein - Receptor binding domain (RBD)	39.3	-		No	-		67.7	21.8	64.9		-
7mxp	4.46 Å	2022-05-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-05-19	34898670	-	-	-	-	N/A	-	-	LP5 Fab Heavy Chain; Spike glycoprotein; LP5 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7qdg	3.40 Å	2022-05-25	Cryo-EM	NAG, NDG	SARS-CoV-2	Spike	Functional ligand	40.74%	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-alpha-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-alpha-D-glucopyranose		-	-	()	REFMAC	2021-11-27	35816514	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7qdh	4.20 Å	2022-05-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	55.59%	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	REFMAC	2021-11-27	35816514	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7wku	2.60 Å	2022-05-25	X-ray	-	PDCoV	NSP5 (3CLpro)	Functional ligand	19.05%	24.10%	17.20%	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE	-		99.60%	2.6	SSRF (BL19U1)	PHENIX	2022-01-11	35336895	-	-	-	-	N/A	-	-	N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE; Peptidase C30	50.5	-		No	-		43.8	57.7	74.5		-
7wly	3.40 Å	2022-05-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-14	35436443	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of 35B5 Fab; Light chain of 35B5 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7wlz	2.98 Å	2022-05-25	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-14	35436443	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of 35B5 Fab; Light chain of 35B5 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7x7o	3.75 Å	2022-05-25	X-ray	-	SARS-CoV-2	Spike	PPI	30.33%	33.58%	N/A		-	XDS	99.90%	7.1	SPring-8 (BL32XU)	REFMAC; PHENIX	2022-03-10	35543180	-	-	-	-	N/A	-	-	UT28K Fab, light chain; UT28K Fab, heavy chain; Spike protein S1	1.9	-		No	-		4.2	28.2	20.2		-
7fau	2.08 Å	2022-06-01	X-ray	-	SARS-CoV-2	Spike	PPI	19.84%	22.82%	N/A		-	HKL-3000	100.00%	15.0	SSRF (BL19U1)	PHENIX	2021-07-07	35276082	ZN	-	-	-	N/A	-	-	NB_1B11; Spike protein S1 - Receptor-binding domain (RBD)	53.7	-		No	-		56.8	35.0	90.5		-
7qur	2.27 Å	2022-06-01	Cryo-EM	GE9, NAG, SIA, EIC	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2,3,5-tris(iodanyl)benzamide; N-acetyl-alpha-neuraminic acid; LINOLEIC ACID	2,3,5-tris(iodanyl)benzamide; 2-acetamido-2-deoxy-beta-D-glucopyranose; N-acetyl-alpha-neuraminic acid; LINOLEIC ACID		-	-	()	PHENIX; phenix.real_space_refine	2022-01-18	35737812	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7whh	2.60 Å	2022-06-01	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	19.16%	23.05%	26.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.77%	11.3	SSRF (BL02U1)	PHENIX	2021-12-30	-	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein - Omicron RBD	31.8	-		No	-	-	54.5	34.8	50.3		-
7ws0	3.20 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	Spike glycoprotein; 510A5 heavy chain; 510A5 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7ws1	3.40 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	510A5 heavy chain; Spike glycoprotein; 510A5 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7ws2	3.30 Å	2022-06-01	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; 510A5 light chain; 510A5 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7ws3	3.60 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	510A5 light chain; Spike glycoprotein; 510A5 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7ws4	3.70 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	510A5 heavy chain; 510A5 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ws5	3.70 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	510A5 light chain; Spike glycoprotein; 510A5 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7ws6	3.80 Å	2022-06-01	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	510A5 heavy chain; Spike protein S1 - RBD; 510A5 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7ws7	3.40 Å	2022-06-01	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	510A5 heavy chain; Spike protein S1 - RBD; 510A5 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7ws8	3.00 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7ws9	2.90 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7wsa	3.00 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-28	35477022	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7wwl	3.00 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-02-13	35478188	-	-	-	-	N/A	-	-	Spike glycoprotein; light chain of ZWD12; heavy chain of ZWD12	N/A	-		No	-		N/A	N/A	N/A		-
7wwm	2.80 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-02-13	35478188	-	-	-	-	N/A	-	-	Spike glycoprotein; heavy chain of ZWC6; heavy chain of ZWC6	N/A	-		No	-		N/A	N/A	N/A		-
7zb6	2.12 Å	2022-06-01	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	26.08%	29.77%	N/A		-	XDS	91.90%	7.6	PETRA III, EMBL c/o DESY (P14 (MX2))	PHENIX	2022-03-23	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	6.0	-		No	-	-	7.8	11.8	54.2		-
7zb7	1.63 Å	2022-06-01	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	17.42%	21.29%	N/A		-	XDS	92.20%	12.8	PETRA III, EMBL c/o DESY (P14 (MX2))	PHENIX	2022-03-23	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	70.8	-		No	-	-	71.7	73.8	71.9		-
7zb8	2.48 Å	2022-06-01	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	24.64%	33.19%	N/A		-	XDS	83.90%	6.7	PETRA III, EMBL c/o DESY (P14 (MX2))	PHENIX	2022-03-23	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	7.1	-		No	-	-	4.3	15.4	58.9		-
7zf3	3.15 Å	2022-06-01	X-ray	IPA	SARS-CoV-2	Spike	PPI	20.76%	26.61%	49.10%	ISOPROPYL ALCOHOL	ISOPROPYL ALCOHOL	xia2	100.00%	5.0	Diamond (I03)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	Omi-3 light chain; EY6A light chain; Omi-3 heavy chain; Spike protein S1; EY6A heavy chain	57.3	-		No	-		22.1	91.4	75.6		-
7zf5	5.32 Å	2022-06-01	X-ray	-	SARS-CoV-2	Spike	PPI	24.90%	25.56%	50.80%		-	xia2	100.00%	4.6	Diamond (I03)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	Beta-54 light chain; Beta-54 heavy chain; Spike protein S1; Omi-12 heavy chain; Omi-12 light chain	-	-		No	-		30.3	-	32.6		-
7zf7	3.46 Å	2022-06-01	X-ray	NAG	SARS-CoV-2	Spike	PPI	25.84%	26.90%	70.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.60%	3.1	Diamond (I03)	PHENIX	2022-04-01	35662412	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike protein S1	14.0	-		No	-		20.1	12.5	67.6		-
7zf8	2.95 Å	2022-06-01	X-ray	-	SARS-CoV-2	Spike	PPI	22.01%	25.84%	49.00%		-	xia2	100.00%	2.1	Diamond (I03)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	COVOX-150 light chain; COVOX-150 heavy chain; Spike protein S1	38.4	-		No	-		27.9	53.2	71.6		-
7zf9	3.25 Å	2022-06-01	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	22.15%	26.48%	62.90%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.90%	3.2	Diamond (I03)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	Spike protein S1; COVOX-150 heavy chain; COVOX-150 light chain	32.7	-		No	-		23.2	39.7	78.5		-
7zfb	3.08 Å	2022-06-01	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	26.05%	30.78%	26.40%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	5.4	Diamond (I04)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	Omi-31 heavy chain; Nanobody C1; Spike protein S1; Omi-31 light chain; Omi-18 heavy chain; Omi-18 light chain	3.3	-		No	-		6.2	13.5	41.7		-
7zfc	3.24 Å	2022-06-01	X-ray	-	SARS-CoV-2	Spike	PPI	24.42%	29.87%	26.50%		-	xia2	100.00%	6.6	Diamond (I04)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	Spike protein S1; Omi-31 heavy chain; Omi-31 light chain; Omi-18 heavy chain; Nanobody C1; Omi-18 light chain	5.1	-		No	-		7.6	13.6	49.4		-
7zfd	3.39 Å	2022-06-01	X-ray	-	SARS-CoV-2	Spike	PPI	28.56%	33.77%	N/A		-	xia2	100.00%	2.4	Diamond (I03)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	Omi-25 heavy chain; Omi-25 light chain; Spike protein S1	-	-		No	-		4.1	-	54.8		-
7zfe	3.25 Å	2022-06-01	X-ray	-	SARS-CoV-2	Spike	PPI	23.66%	29.30%	24.10%		-	xia2	87.80%	6.6	Diamond (I03)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	Omi-32 heavy chain; Nanobody C1; Spike protein S1; Omi-32 light chain	15.6	-		No	-		9.0	44.9	50.2		-
7zr7	3.70 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-03	35662412	-	-	-	-	N/A	-	-	Omi-42 heavy chain; Spike glycoprotein,Fibritin; Omi-42 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7zr8	3.70 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-03	35662412	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin; Omi-38 Fab light chain; Omi-38 fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7zr9	4.00 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-03	35662412	-	-	-	-	N/A	-	-	Omi-2 Fab light chain; Omi-2 Fab heavy chain; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7zrc	3.50 Å	2022-06-01	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-04	35662412	-	-	-	-	N/A	-	-	Omi-38 Fab Light Chain; Omi-38 Fab Heavy Chain; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7n45	-	2022-06-08	NMR	-	HKU1-CoV	Nucleocapsid	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-06-03	-	-	-	-	-	N/A	-	-	Nucleoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7qus	2.39 Å	2022-06-08	Cryo-EM	NAG, EIC	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID		-	-	()	PHENIX; phenix.real_space_refine	2022-01-18	35737812	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7r4i	3.20 Å	2022-06-08	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-08	35547740	-	-	-	-	N/A	-	-	Spike glycoprotein; Camel-derived nanobody 2.15	N/A	-		No	-		N/A	N/A	N/A		-
7r4q	3.60 Å	2022-06-08	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-09	35547740	-	-	-	-	N/A	-	-	Spike glycoprotein; Camel-derived nanobody 1.29	N/A	-		No	-		N/A	N/A	N/A		-
7r4r	3.90 Å	2022-06-08	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-09	35547740	-	-	-	-	N/A	-	-	Spike glycoprotein; Camel-derived nanobody 1.10	N/A	-		No	-		N/A	N/A	N/A		-
7sd4	-	2022-06-08	NMR	-	SARS-CoV-2	Nucleocapsid	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-09-29	35638584	-	-	-	-	N/A	-	-	Nucleoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7uhb	3.00 Å	2022-06-08	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()		2022-03-26	35412328	-	-	-	-	N/A	-	-	Spike glycoprotein; Multivalent miniprotein inhibitor AHB2-2GS-SB175	N/A	-		No	-		N/A	N/A	N/A		-
7uhc	3.10 Å	2022-06-08	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-03-26	35412328	-	-	-	-	N/A	-	-	Spike glycoprotein; Multivalent miniprotein inhibitor AHB2-2GS-SB175	N/A	-		No	-		N/A	N/A	N/A		-
7w6r	2.60 Å	2022-06-08	X-ray	NAG	Bat-CoV-RaTG13	Spike	Functional ligand	19.23%	19.35%	17.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.90%	10.5	SSRF (BL19U1)	PHENIX; PHENIX	2021-12-02	-	ZN	-	-	-	N/A	-	-	Spike glycoprotein - RBD; Angiotensin-converting enzyme	80.1	-		No	-	-	85.9	90.8	66.4		-
7w6u	2.56 Å	2022-06-08	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	19.34%	22.65%	17.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.90%	17.8	SSRF (BL02U1)	PHENIX	2021-12-02	-	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme; Spike protein S1	34.6	-		No	-	-	58.7	25.5	61.1		-
7wri	3.03 Å	2022-06-08	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-26	35821014	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7wsk	3.30 Å	2022-06-08	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	22.26%	27.52%	45.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.70%	5.9	SSRF (BL10U2)	PHENIX	2022-01-29	35821014	ZN	-	-	-	N/A	-	-	Spike protein S1; Processed angiotensin-converting enzyme 2	7.9	-		No	-		16.5	31.0	34.0		-
7xby	2.85 Å	2022-06-08	X-ray	NAG, BR	SARS-CoV-2	Spike	Functional ligand	22.82%	26.26%	16.00%	2-acetamido-2-deoxy-beta-D-glucopyranose; BROMIDE ION	2-acetamido-2-deoxy-beta-D-glucopyranose; BROMIDE ION	HKL-2000	99.70%	13.1	SSRF (BL02U1)	PHENIX	2022-03-22	35729237	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme	18.7	-		No	-		24.7	47.0	39.9		-
7zf4	4.18 Å	2022-06-08	X-ray	-	SARS-CoV-2	Spike	PPI	36.95%	38.53%	72.80%		-	xia2	100.00%	2.5	Diamond (I03)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	Spike protein S1; Nanobody F2; Omi-9 heavy chain; Omi-9 light chain	-	-		No	-		3.5	-	31.7		-
7f0x	2.80 Å	2022-06-15	X-ray	-	SARS-CoV-2	Spike	PPI	22.13%	26.95%	N/A		-	XDS	99.60%	7.9	SSRF (BL17U)	PHENIX	2021-06-07	-	-	-	-	-	N/A	-	-	Spike protein S1; Antibody	34.9	-		No	-	-	19.9	83.8	42.1		-
7f12	3.15 Å	2022-06-15	X-ray	NAG	SARS-CoV-2	Spike	PPI	19.51%	24.47%	12.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.70%	21.5	SSRF (BL17U)	PHENIX	2021-06-07	-	-	-	-	-	N/A	-	-	Spike protein S1; Antibody	51.9	-		No	-	-	40.5	75.9	62.4		-
7f15	2.65 Å	2022-06-15	X-ray	NAG	SARS-CoV-2	Spike	PPI	20.10%	24.55%	11.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.90%	25.8	SSRF (BL17U)	PHENIX	2021-06-07	-	-	-	-	-	N/A	-	-	Spike protein S1; Antibody	37.3	-		No	-	-	39.7	56.4	54.6		-
7f7h	3.19 Å	2022-06-15	X-ray	-	SARS-CoV-2	Spike	PPI	20.54%	27.53%	N/A		-	HKL-2000	99.23%	7.065	APS (24-ID-E)	PHENIX	2021-06-29	-	-	-	-	-	N/A	-	-	Light chain of A8-1 Fab; Heavy chain of A8-1 Fab; Spike glycoprotein S1 - RBD domain	18.4	-		No	-	-	16.5	69.7	24.6		-
7fcp	2.40 Å	2022-06-15	X-ray	NAG, TRS	SARS-CoV-2	Spike	PPI	19.10%	24.46%	8.00%	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	HKL-2000	100.00%	22.4	NFPSS (BL19U1)	REFMAC	2021-07-15	35108220	-	-	-	-	N/A	-	-	P14-44 antibody Fab fragment light chain; P5-22 antibody Fab fragment light chain; P5-22 antibody Fab fragment heavy chain; P14-44 antibody Fab fragment heavy chain; Spike protein S1	64.7	-		No	-		40.5	73.1	90.7		-
7fcq	1.89 Å	2022-06-15	X-ray	NAG	SARS-CoV-2	Spike	PPI	16.47%	20.06%	7.80%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	23.9	NFPSS (BL19U1)	REFMAC	2021-07-15	35108220	-	-	-	-	N/A	-	-	P14-44 antibody Fab fragment heavy chain; Spike protein S1; P14-44 antibody Fab fragment light chain	60.9	-		No	-		81.3	27.9	87.1		-
7whc	2.27 Å	2022-06-15	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	19.74%	26.41%	N/A		-	HKL-2000	89.00%	17.0	PAL/PLS (7A (6B, 6C1))	PHENIX	2021-12-30	35563658	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	10.2	-		No	-		23.6	40.4	24.9		-
7xic	3.30 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-04-12	35607524	-	-	-	-	N/A	-	-	heavy chain of STS165; light chain of STS165; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xid	3.30 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-04-12	35607524	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7xo4	3.24 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-30	35641567	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xo5	3.13 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-01	35641567	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7xo6	2.60 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-01	35641567	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7xo7	3.38 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-01	35641567	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7xo8	3.48 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-01	35641567	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7xo9	3.00 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-01	35641567	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xoa	3.20 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-01	35641567	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7xob	3.30 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-01	35641567	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7xoc	3.00 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-01	35641567	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xod	3.27 Å	2022-06-15	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-01	35641567	-	-	-	-	N/A	-	-	Heavy chain of JMB2002 Fab; Light chain of JMB2002 Fab; Spike glycoprotein; Nanobody	N/A	-		No	-		N/A	N/A	N/A		-
7f3q	3.30 Å	2022-06-22	Cryo-EM	NAG, MES	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID		-	-	()		2021-06-16	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Light chain of A5-10 Fab; Heavy chain of A5-10 Fab; Light chain of A34-2 Fab; Heavy chain of A34-2 Fab	N/A	-		No	-	-	N/A	N/A	N/A		-
7f5r	3.01 Å	2022-06-22	X-ray	NAG	SARS-CoV-2	Spike	PPI	18.12%	21.78%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.12%	7.71	SSRF (BL18U1)	PHENIX	2021-06-22	-	-	-	-	-	N/A	-	-	Spike protein S1; mink ACE2	54.2	-		No	-	-	67.3	88.3	27.5		-
7fc5	2.89 Å	2022-06-22	X-ray	NAG	SARS-CoV-2	Spike	PPI	22.88%	25.86%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	95.46%	10.11	SSRF (BL18U1)	PHENIX	2021-07-13	35917815	-	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme	6.8	-		No	-		27.8	17.7	31.9		-
7mb4	1.83 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.71%	22.01%	2.80%		-		98.70%	12.5	NSLS-II (17-ID-2)	PHENIX	2021-03-31	35729165	-	-	-	-	N/A	-	-	THR-SER-ALA-VAL-LEU-GLN; 3C-like proteinase	68.4	-		No	-		64.9	66.0	81.3		-
7mb5	1.60 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.43%	18.38%	2.70%		-		96.70%	12.7	NSLS-II (17-ID-2)	PHENIX	2021-03-31	35729165	-	-	-	-	N/A	-	-	SER-GLY-VAL-THR-PHE-GLN; 3C-like proteinase	67.6	-		No	-		90.7	35.8	84.0		-
7mb6	2.21 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.28%	27.23%	3.30%		-		99.40%	12.7	NSLS-II (17-ID-2)	PHENIX	2021-03-31	35729165	-	-	-	-	N/A	-	-	3C-like proteinase; LYS-VAL-ALA-THR-VAL-GLN	15.4	-		No	-		18.2	22.7	62.6		-
7mb7	2.02 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.01%	22.41%	3.30%		-		98.30%	10.2	NSLS-II (17-ID-2)	PHENIX	2021-03-31	35729165	-	-	-	-	N/A	-	-	ASN-ARG-ALA-THR-LEU-GLN; 3C-like proteinase	81.7	-		No	-		61.0	88.7	99.1		-
7mb8	1.62 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.85%	19.49%	3.50%		-		98.70%	11.7	NSLS-II (17-ID-2)	PHENIX	2021-03-31	35729165	-	-	-	-	N/A	-	-	SER-ALA-VAL-LYS-LEU-GLN; 3C-like proteinase	75.4	-		No	-		85.1	51.1	92.8		-
7mb9	1.81 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.89%	22.76%	3.50%		-		98.10%	10.1	NSLS-II (17-ID-2)	PHENIX	2021-03-31	35729165	-	-	-	-	N/A	-	-	ARG-GLU-PRO-MET-LEU-GLN; 3C-like proteinase	64.9	-		No	-		57.5	74.0	73.1		-
7t70	2.35 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.15%	21.99%	12.84%		-	HKL-2000	98.74%	12.96	ROTATING ANODE ()	PHENIX	2021-12-14	35729165	-	-	-	-	N/A	-	-	3C-like proteinase; Nonstructural protein 4/5	44.6	-		No	-		65.3	35.3	64.0		-
7t8m	1.60 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	16.05%	19.71%	5.00%		-	CrysalisPro	92.38%	22.08	ROTATING ANODE ()	PHENIX	2021-12-16	35729165	-	-	-	-	N/A	-	-	Nonstructural protein 5/6; 3C-like proteinase	65.9	-		No	-		83.6	49.9	73.4		-
7t8r	1.74 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	18.45%	22.78%	6.85%		-	CrysalisPro	98.53%	22.39	ROTATING ANODE ()	PHENIX	2021-12-16	35729165	-	-	-	-	N/A	-	-	3C-like proteinase; Nonstructural protein 7/8	32.2	-		No	-		57.4	43.4	39.7		-
7t9y	2.18 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	17.94%	23.63%	8.74%	Nonstructural protein 8/9	-	CrysalisPro	98.24%	14.33	ROTATING ANODE ()	PHENIX	2021-12-20	35729165	-	-	-	-	N/A	-	-	Nonstructural protein 8/9; 3C-like proteinase	52.4	-		No	-		48.6	49.6	81.6		-
7ta4	1.78 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	17.50%	21.63%	5.30%	Nonstructural protein 9/10	-	CrysalisPro	98.48%	9.46	ROTATING ANODE ()	PHENIX	2021-12-20	35729165	-	-	-	-	N/A	-	-	Nonstructural protein 9/10; 3C-like proteinase	57.5	-		No	-		68.6	45.1	75.8		-
7ta7	2.28 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	20.48%	25.45%	9.10%	Nonstructural protein 10/11	-	CrysalisPro	99.41%	9.62	ROTATING ANODE ()	PHENIX	2021-12-20	35729165	-	-	-	-	N/A	-	-	Nonstructural protein 10/11; 3C-like proteinase	20.7	-		No	-		31.2	21.8	63.1		-
7tb2	1.80 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	18.76%	21.79%	2.33%	Nonstructural protein 12/13	-	CrysalisPro	98.90%	19.45	ROTATING ANODE ()	PHENIX	2021-12-21	35729165	-	-	-	-	N/A	-	-	Nonstructural protein 12/13; 3C-like proteinase	54.7	-		No	-		67.2	38.3	78.6		-
7tbt	2.45 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	21.02%	26.64%	6.68%	Nonstructural protein 13/14	-	CrysalisPro	95.40%	9.58	ROTATING ANODE ()	PHENIX	2021-12-22	35729165	-	-	-	-	N/A	-	-	3C-like proteinase; Nonstructural protein 13/14	26.4	-		No	-		22.0	50.0	56.3		-
7tc4	1.94 Å	2022-06-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	PPI	18.21%	22.67%	9.07%	Nonstructural protein 15/16	-	CrysalisPro	99.83%	12.74	ROTATING ANODE ()	PHENIX	2021-12-22	35729165	-	-	-	-	N/A	-	-	Nonstructural protein 15/16; 3C-like proteinase	37.1	-		No	-		58.5	34.1	57.6		-
7tq2	2.30 Å	2022-06-22	X-ray	ISG	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.10%	26.29%	11.20%	N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide	N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-({[(1R,2R)-2-phenylcyclopropyl]methoxy}carbonyl)-L-leucinamide	XDS	99.90%	7.3	APS (17-ID)	PHENIX	2022-01-26	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	54.1	-		No	-		24.6	88.4	70.0		-
7tq3	2.00 Å	2022-06-22	X-ray	IS5	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.23%	24.68%	5.90%	N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-({[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	98.90%	12.2	APS (17-ID)	PHENIX	2022-01-26	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	61.6	-		No	-		38.5	88.3	71.1		-
7tq4	2.45 Å	2022-06-22	X-ray	IRZ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	21.27%	29.63%	9.80%	N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-({[(1R,2R)-2-(3-chlorophenyl)cyclopropyl]methoxy}carbonyl)-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	99.70%	8.5	APS (17-ID)	PHENIX	2022-01-26	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	34.2	-		No	-		8.1	58.6	77.6		-
7uxx	1.85 Å	2022-06-22	X-ray	-	SARS-CoV-2	Nucleocapsid	No functional ligands	16.28%	20.70%	N/A		-	XDS	99.95%	9.33	LNLS SIRUS (MANACA)	REFMAC	2022-05-06	36323732	-	-	-	-	N/A	-	-	Nucleoprotein	78.1	-		No	-		76.5	95.2	65.0		-
7uxz	1.73 Å	2022-06-22	X-ray	GKP, NA	SARS-CoV-2	Nucleocapsid	Functional ligand	17.40%	21.49%	N/A	(2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid; SODIUM ION	(2R,3R)-2,3-bis{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}butanedioic acid; SODIUM ION	autoPROC	99.86%	9.46	LNLS SIRUS (MANACA)	REFMAC	2022-05-06	36323732	-	-	-	-	N/A	-	-	Nucleoprotein	65.1	-		No	-		70.0	82.3	52.8		-
7vrv	4.20 Å	2022-06-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-10-25	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7vrw	3.60 Å	2022-06-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-10-25	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wg7	4.00 Å	2022-06-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-28	35120603	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wg8	3.90 Å	2022-06-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-28	35120603	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wg9	3.50 Å	2022-06-22	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-28	35120603	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wgb	3.50 Å	2022-06-22	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-28	35120603	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7wgc	3.60 Å	2022-06-22	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-28	35120603	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7whz	3.42 Å	2022-06-22	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-01	35594869	-	-	-	-	N/A	-	-	IG c934_light_IGKV1-5_IGKJ1; IG c1437_light_IGLV1-40_IGLJ1; IGL c4029_light_IGKV1-39_IGKJ2; XMA01 heavy chain variable domain; XMA04 heavy chain variable domain; Spike protein S1; XMA09 heavy chain variable domain	N/A	-		No	-		N/A	N/A	N/A		-
7wi0	3.82 Å	2022-06-22	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-01	35594869	-	-	-	-	N/A	-	-	XMA09 heavy chain variable domain; IG c934_light_IGKV1-5_IGKJ1; IGL c4029_light_IGKV1-39_IGKJ2; XMA01 heavy chain variable domain; XMA04 heavy chain variable domain; Spike protein S1; IG c1437_light_IGLV1-40_IGLJ1	N/A	-		No	-		N/A	N/A	N/A		-
7wr8	3.50 Å	2022-06-22	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-26	35714668	-	-	-	-	N/A	-	-	BD55-3152L; BD55-3152H; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7wrl	3.51 Å	2022-06-22	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-27	35714668	-	-	-	-	N/A	-	-	BD55-1239H; Spike protein S1; BD55-1239L	N/A	-		No	-		N/A	N/A	N/A		-
7wro	3.40 Å	2022-06-22	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-27	35714668	-	-	-	-	N/A	-	-	3372L; Spike protein S1 - RBD; 3372H	N/A	-		No	-		N/A	N/A	N/A		-
7wrz	3.26 Å	2022-06-22	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-28	35714668	-	-	-	-	N/A	-	-	Spike protein S1; BD55-5840H; BD55-5840L	N/A	-		No	-		N/A	N/A	N/A		-
7wym	2.05 Å	2022-06-22	X-ray	G7L	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.40%	22.07%	N/A	N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide	N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide	XDS	96.30%	12.9	SSRF (BL19U1)	PHENIX	2022-02-16	35702321	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	63.8	-		No	-		64.5	78.7	59.2		-
7wyp	2.30 Å	2022-06-22	X-ray	G7O	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.38%	27.26%	N/A	N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide	N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide	XDS	99.90%	11.02	SSRF (BL19U1)	PHENIX	2022-02-16	35702321	-	-	-	-	N/A	-	-	3C-like proteinase	13.8	-		No	-		18.1	30.1	51.3		-
8ctk	3.52 Å	2022-06-22	Cryo-EM	-	SARS-CoV-2	Membrane_glycoprotein	No functional ligands	N/A	N/A	N/A		-		-	-	()	phenix.real_space_refine; PHENIX	2022-05-15	36264056	-	-	-	-	N/A	-	-	Membrane protein	N/A	-		No	-		N/A	N/A	N/A		-
8czt	2.10 Å	2022-06-22	X-ray	P8L	MERS-CoV	NSP5 (3CLpro)	Functional ligand	20.04%	26.17%	6.60%	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	XDS	96.50%	10.6	NSLS-II (19-ID)	PHENIX	2022-05-25	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	66.6	-		No	-		25.4	95.7	87.2		-
8czu	2.70 Å	2022-06-22	X-ray	P9R	MERS-CoV	NSP5 (3CLpro)	Functional ligand	21.24%	25.84%	14.10%	[(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	[(1~{S},2~{S})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	XDS	95.70%	7.0	NSLS-II (19-ID)	PHENIX	2022-05-25	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	66.6	-		No	-		27.9	95.7	84.6		-
8czv	1.95 Å	2022-06-22	X-ray	P8C, PJR	MERS-CoV	NSP5 (3CLpro)	Functional ligand	18.41%	24.17%	8.90%	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	XDS	99.50%	9.8	NSLS-II (19-ID)	PHENIX	2022-05-25	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	75.0	-		No	-		43.3	95.7	88.9		-
8czw	1.70 Å	2022-06-22	X-ray	P8L, P8U, PG4	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.82%	21.65%	5.60%	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	[(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; [(1~{S},2~{R})-2-cyclohexylcyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; TETRAETHYLENE GLYCOL	XDS	98.80%	11.2	NSLS-II (19-ID)	PHENIX	2022-05-25	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	73.3	-		No	-		68.4	63.8	91.3		-
8czx	1.65 Å	2022-06-22	X-ray	P8C, PG4, PJR	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.80%	22.04%	3.90%	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	[(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; TETRAETHYLENE GLYCOL; [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	XDS	98.30%	11.5	NSLS-II (19-ID)	PHENIX	2022-05-25	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	72.5	-		No	-		64.7	66.2	90.7		-
7f5h	3.00 Å	2022-06-29	X-ray	PO4	SARS-CoV-2	Spike	PPI	22.64%	24.76%	17.40%	PHOSPHATE ION	PHOSPHATE ION	HKL-2000	100.00%	14.1	SSRF (BL19U1)	REFMAC	2021-06-22	35722331	-	-	-	-	N/A	-	-	Nanobody DL28; SARS-CoV-2 Spike Receptor-Binding Domain (RBD) - Receptor binding domain (RBD)	66.4	-		No	-		37.6	93.4	76.9		-
7f6y	3.00 Å	2022-06-29	X-ray	NAG	SARS-CoV-2	Spike	PPI	19.75%	25.30%	20.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.49%	8.36	Photon Factory (BL-1A)	PHENIX	2021-06-26	34480123	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain; Light Chain of BD-503; Heavy Chain of BD-503	32.3	-		No	-		32.4	93.4	14.7		-
7f6z	3.00 Å	2022-06-29	X-ray	-	SARS-CoV-2	Spike	PPI	20.68%	25.40%	20.00%		-	XDS	99.45%	8.33	Photon Factory (BL-1A)	PHENIX	2021-06-26	34480123	-	-	-	-	N/A	-	-	Heavy Chain of BD-503; Spike protein S1 - receptor binding domain; Light Chain of BD-503	42.9	-		No	-		31.6	86.4	43.6		-
7r1t	2.70 Å	2022-06-29	X-ray	6NR, PO4, MES	SARS-CoV-2	NSP10/NSP16	PPI	20.52%	24.74%	46.01%	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; PHOSPHATE ION; (2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid	(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid; PHOSPHATE ION; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	100.00%	8.07	BESSY (14.1)	PHENIX	2022-02-03	36040262	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase nsp16; Non-structural protein 10	61.4	-		No	-		37.8	65.8	93.8		-
7r1u	2.50 Å	2022-06-29	X-ray	MES, GTA, 4IK	SARS-CoV-2	NSP10/NSP16	PPI	23.20%	25.21%	60.30%	(2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; P1-7-METHYLGUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE; (2S,5S)-2,6-diamino-5-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl}hexanoic acid	XDS	100.00%	4.64	ROTATING ANODE ()	PHENIX	2022-02-03	36040262	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase nsp16; Non-structural protein 10	43.1	-		No	-		33.2	37.7	91.0		-
7v7m	2.08 Å	2022-06-29	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	21.18%	29.23%	8.50%		-	CrysalisPro	99.20%	15.7	ROTATING ANODE ()	PHENIX	2021-08-21	-	-	-	-	-	N/A	-	-	3C-like proteinase	22.9	-		No	-	-	9.2	55.3	56.4		-
7w1s	2.00 Å	2022-06-29	X-ray	-	SARS-CoV-2	Spike	No functional ligands	19.87%	22.39%	18.20%		-	HKL-3000	99.90%	16.5	SSRF (BL18U1)	PHENIX	2021-11-20	35663966	-	-	-	-	N/A	-	-	Spike protein S1; Nanobody Nb-007	45.0	-		No	-		61.4	35.1	68.9		-
7xh8	2.99 Å	2022-06-29	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-04-07	35739114	-	-	-	-	N/A	-	-	The light chain of ZCB11 antibody; Spike glycoprotein; The heavy chain of ZCB11 antibody	N/A	-		No	-		N/A	N/A	N/A		-
7xxk	2.00 Å	2022-06-29	X-ray	5GP, GMP, NA, GUN, K, SCN	SARS-CoV-2	Nucleocapsid	Functional ligand	17.83%	23.19%	18.40%	POTASSIUM ION; THIOCYANATE ION; GUANOSINE; SODIUM ION; GUANINE; GUANOSINE-5'-MONOPHOSPHATE	GUANOSINE-5'-MONOPHOSPHATE; GUANOSINE; SODIUM ION; GUANINE; POTASSIUM ION; THIOCYANATE ION	XDS	99.90%	12.0	SSRF (BL19U1)	BUSTER	2022-05-30	-	NA; K	-	-	-	N/A	-	-	Nucleoprotein - C-terminal domain	63.7	-		No	-	-	53.3	77.5	71.4		-
7z59	2.00 Å	2022-06-29	X-ray	IFO	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.23%	25.16%	18.80%	(3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid	(3S)-4-[[2,4-bis(fluoranyl)phenyl]methoxy]-2-methyl-4-oxidanylidene-3-[[(Z)-3-oxidanylidene-2-(2-phenoxyethanoylamino)prop-1-enyl]amino]butane-2-sulfinic acid	xia2	100.00%	7.9	Diamond (I03)	REFMAC; BUSTER	2022-03-08	35549342	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	27.1	-		No	-		33.8	52.2	43.8		-
7zfa	4.24 Å	2022-06-29	X-ray	-	SARS-CoV-2	Spike	PPI	23.69%	27.24%	33.00%		-	xia2	82.90%	2.6	Diamond (I03)	PHENIX	2022-04-01	35662412	-	-	-	-	N/A	-	-	Omi-6 heavy chain; COVOX-150 heavy chain; COVOX-150 light chain; Spike protein S1; Omi-6 light chain	-	-		No	-		18.2	-	46.1		-
7zxu	1.89 Å	2022-06-29	X-ray	IPA, PG4, NAG	SARS-CoV-2	Spike	PPI	18.07%	20.90%	31.30%	ISOPROPYL ALCOHOL; 2-acetamido-2-deoxy-beta-D-glucopyranose	ISOPROPYL ALCOHOL; TETRAETHYLENE GLYCOL; 2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	7.7	Diamond (I03)	PHENIX	2022-05-23	35772405	-	-	-	-	N/A	-	-	Nanobody C1; Beta-27 light chain; Beta-27 heavy chain; Spike protein S1	75.4	-		No	-		74.8	66.4	87.5		-
8dce	2.00 Å	2022-06-29	X-ray	-	SARS-CoV-2	Spike	PPI	17.72%	20.30%	N/A		-	XDS	99.68%	12.83	APS (22-ID)	PHENIX; PHENIX	2022-06-16	36103542	-	-	-	-	N/A	-	-	C144 scFv; Spike protein S1 - RBD SPEEDesign Immunogen 1 (UNP residues 333-526)	60.7	-		No	-		79.6	19.1	97.2		-
5spx	1.05 Å	2022-07-06	X-ray	QIW	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.03%	15.92%	4.70%	(5M)-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid	(5M)-5-(3-ethyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-1,3-dimethyl-1H-pyrazole-4-carboxylic acid	XDS	99.80%	15.32	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	66.7	-		No	-		97.2	63.1	48.1		-
5spy	1.05 Å	2022-07-06	X-ray	QJ0	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.18%	16.87%	4.20%	1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(1H-tetrazol-5-yl)sulfanyl]ethan-1-one	1-(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-2-[(1H-tetrazol-5-yl)sulfanyl]ethan-1-one	XDS	99.90%	16.6	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	66.5	-		No	-		95.4	46.2	66.4		-
5spz	1.05 Å	2022-07-06	X-ray	QJC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.07%	15.95%	4.90%	(3S)-3-(fluoromethyl)-1-(6-oxo-1,6-dihydropyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid	(3S)-3-(fluoromethyl)-1-(6-oxo-1,6-dihydropyridazine-4-carbonyl)pyrrolidine-3-carboxylic acid	XDS	99.90%	14.39	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	72.1	-		No	-		97.2	59.3	64.1		-
5sq0	1.05 Å	2022-07-06	X-ray	QJG	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.80%	15.61%	5.30%	(2S,4S)-1-(6-fluoro-2-hydroxyquinoline-4-carbonyl)-4-methylazetidine-2-carboxylic acid	(2S,4S)-1-(6-fluoro-2-hydroxyquinoline-4-carbonyl)-4-methylazetidine-2-carboxylic acid	XDS	99.80%	13.3	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	72.7	-		No	-		97.6	43.4	81.0		-
5sq1	1.05 Å	2022-07-06	X-ray	QJO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.47%	16.52%	5.70%	1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline	1-(2-aminopyrimidine-5-sulfonyl)-4,4-difluoro-L-proline	XDS	99.60%	12.31	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	65.0	-		No	-		96.2	36.4	72.3		-
5sq2	1.05 Å	2022-07-06	X-ray	QJU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.95%	15.84%	3.80%	7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole	7-fluoro-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-9H-pyrimido[4,5-b]indole	XDS	99.80%	19.11	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	64.2	-		No	-		97.3	34.4	71.6		-
5sq3	1.05 Å	2022-07-06	X-ray	QK6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.46%	15.18%	4.60%	[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid	[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid	XDS	99.90%	16.21	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	63.6	-		No	-		98.1	49.1	54.7		-
5sq4	1.05 Å	2022-07-06	X-ray	QKC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.15%	14.73%	4.10%	7-fluoro-4-[(3R)-3-(methanesulfonyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole	7-fluoro-4-[(3R)-3-(methanesulfonyl)piperidin-1-yl]-9H-pyrimido[4,5-b]indole	XDS	99.60%	18.4	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.6	-		No	-		98.6	41.0	70.8		-
5sq5	1.05 Å	2022-07-06	X-ray	QKL, QKX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.59%	15.53%	6.10%	(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.80%	11.99	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	78.2	-		No	-		97.7	59.3	79.9		-
5sq6	1.05 Å	2022-07-06	X-ray	QL6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.07%	17.03%	5.60%	3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid	3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1H-indole-2-carboxylic acid	XDS	99.90%	12.72	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	75.2	-		No	-		95.0	59.3	74.1		-
5sq7	1.05 Å	2022-07-06	X-ray	QM6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.54%	19.94%	5.20%	3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzofuran-2-carboxylic acid	3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzofuran-2-carboxylic acid	XDS	99.90%	13.13	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	42.6	-		No	-		82.1	26.7	52.3		-
5sq8	1.05 Å	2022-07-06	X-ray	QMF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.24%	18.44%	6.90%	3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzothiophene-2-carboxylic acid	3-{[4-(cyclopropylcarbamamido)benzamido]methyl}-1-benzothiophene-2-carboxylic acid	XDS	99.70%	9.71	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	51.3	-		No	-		90.5	26.7	60.5		-
5sq9	1.05 Å	2022-07-06	X-ray	QN0, QMO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.39%	16.11%	5.30%	(1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-4-hydroxy-1-{4-[(propan-2-yl)carbamamido]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	13.65	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.4	-		No	-		96.9	55.7	66.4		-
5sqa	1.05 Å	2022-07-06	X-ray	QNF, QNV	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.03%	15.80%	3.40%	(1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-4-hydroxy-1-[(3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.60%	22.37	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	80.2	-		No	-		97.4	67.2	79.0		-
5sqb	1.05 Å	2022-07-06	X-ray	QO3, QOF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.24%	13.84%	3.80%	(1S,2S)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-1-({6-[(cyclopropylmethyl)amino]pyridine-3-carbonyl}amino)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	22.61	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	76.1	-		No	-		99.2	52.3	79.2		-
5sqc	1.05 Å	2022-07-06	X-ray	QOR, QP9	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.19%	15.22%	4.70%	(1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-4-hydroxy-1-({5-[(oxan-4-yl)amino]pyrazine-2-carbonyl}amino)-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.80%	16.54	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	79.6	-		No	-		98.1	63.1	80.2		-
5sqd	1.05 Å	2022-07-06	X-ray	QPL, QPX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.31%	14.89%	4.20%	(1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.80%	18.47	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	63.6	-		No	-		98.4	24.4	79.2		-
5sqe	1.05 Å	2022-07-06	X-ray	QR0	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.41%	15.33%	5.20%	(1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-4-hydroxy-1-{4-[(1H-imidazol-1-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	15.7	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	58.1	-		No	-		97.9	26.7	66.1		-
5sqf	1.05 Å	2022-07-06	X-ray	QQ9	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.52%	15.29%	4.00%	(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid	(3R)-1-(1H-pyrrolo[2,3-b]pyridine-4-carbonyl)piperidine-3-carboxylic acid	XDS	100.00%	18.66	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.5	-		No	-		98.0	63.1	73.6		-
5sqg	1.05 Å	2022-07-06	X-ray	QQI, QQR	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.84%	15.88%	6.20%	(1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-1-{[6-(cyclopropylcarbamamido)pyridine-3-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	11.86	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.0	-		No	-		97.3	67.2	69.0		-
5sqh	1.05 Å	2022-07-06	X-ray	QR6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.33%	15.06%	5.10%	(1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-1-[2-chloro-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	15.41	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	79.0	-		No	-		98.2	63.1	78.0		-
5sqi	1.05 Å	2022-07-06	X-ray	QRI, QRC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.93%	15.82%	7.40%	(1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-4-hydroxy-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	9.85	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.9	-		No	-		97.3	67.2	71.4		-
5sqj	1.05 Å	2022-07-06	X-ray	QRU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.29%	15.31%	4.10%	(1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.70%	18.99	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.9	-		No	-		98.0	52.3	77.4		-
5sqk	1.05 Å	2022-07-06	X-ray	QS6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.27%	14.94%	4.40%	(1R,3S)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol	(1R,3S)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclopentan-1-ol	XDS	99.90%	17.81	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	72.2	-		No	-		98.4	59.3	63.2		-
5sql	1.05 Å	2022-07-06	X-ray	QSL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.33%	14.95%	5.10%	3-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione	3-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione	XDS	99.80%	15.14	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	57.5	-		No	-		98.4	25.4	65.6		-
5sqm	1.05 Å	2022-07-06	X-ray	QT0	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.84%	15.65%	3.80%	5-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one	5-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one	XDS	99.80%	19.72	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.2	-		No	-		97.6	49.1	71.8		-
5sqn	1.05 Å	2022-07-06	X-ray	QT6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.39%	16.11%	6.40%	3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]propanoic acid	3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]propanoic acid	XDS	99.80%	10.86	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	56.5	-		No	-		96.9	32.6	58.0		-
5sqo	1.05 Å	2022-07-06	X-ray	QTF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.36%	16.21%	5.20%	(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	XDS	99.80%	14.06	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	59.9	-		No	-		96.7	21.5	75.9		-
5sqp	1.05 Å	2022-07-06	X-ray	QTO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.30%	15.90%	5.70%	(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid	(8S)-6-(6-anilinopyrimidin-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid	XDS	99.80%	12.45	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	60.9	-		No	-		97.2	25.4	73.6		-
5sqq	1.05 Å	2022-07-06	X-ray	QU3	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.11%	14.61%	5.40%	4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide	4-(2-amino-7,8-dihydropyrido[4,3-d]pyrimidine-6(5H)-carbonyl)-N-methylfuran-2-sulfonamide	XDS	99.80%	14.81	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.1	-		No	-		98.7	59.3	75.8		-
5sqr	1.05 Å	2022-07-06	X-ray	QUC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.26%	14.90%	3.80%	(2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic acid	(2R,3S)-1-(5-chloro-1H-pyrrolo[2,3-b]pyridine-3-sulfonyl)-2-methylpiperidine-3-carboxylic acid	XDS	99.90%	20.0	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	62.5	-		No	-		98.4	46.2	55.1		-
5sqs	1.05 Å	2022-07-06	X-ray	QVC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.42%	15.00%	5.20%	(4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine	(4P)-4-[(4M)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-yl]-1H-pyrrolo[2,3-b]pyridine	XDS	99.80%	14.44	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	63.3	-		No	-		98.3	38.5	64.5		-
5sqt	1.05 Å	2022-07-06	X-ray	QV1, QUR	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.87%	15.68%	6.60%	(3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid; (3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid	(3S,4S)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid; (3R,4R)-4-methyl-1-(2-oxo-2,3-dihydro-1,3-benzoxazole-7-carbonyl)pyrrolidine-3-carboxylic acid	XDS	99.80%	10.97	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	75.8	-		No	-		97.5	59.3	73.2		-
5squ	1.05 Å	2022-07-06	X-ray	QVL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.95%	15.62%	4.20%	N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide	N,3-dimethyl-N-(1H-tetrazol-5-yl)-1H-pyrrolo[2,3-b]pyridine-5-carboxamide	XDS	99.90%	17.35	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.7	-		No	-		97.6	49.1	64.0		-
5sqv	1.05 Å	2022-07-06	X-ray	QVX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.09%	16.05%	3.60%	(1S,2S)-4-hydroxy-1-{4-[(pyridin-3-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-4-hydroxy-1-{4-[(pyridin-3-yl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.80%	19.97	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.6	-		No	-		97.0	67.2	71.0		-
5sqw	1.05 Å	2022-07-06	X-ray	QWC, QW3	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.57%	15.62%	3.00%	(1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-1-[4-(cyclopropylcarbamamido)-2-hydroxybenzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.80%	27.81	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.2	-		No	-		97.6	55.7	80.7		-
5sqx	1.05 Å	2022-07-06	X-ray	QWX, QX5	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.07%	17.43%	8.50%	(1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-1-[2-amino-4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	8.1	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	81.1	-		No	-		94.0	67.2	85.4		-
5sqy	1.05 Å	2022-07-06	X-ray	QWO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.99%	15.83%	3.10%	(1S,2S)-1-{[4-(cyclopropylcarbamamido)-1,3-benzothiazole-7-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-1-{[4-(cyclopropylcarbamamido)-1,3-benzothiazole-7-carbonyl]amino}-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.60%	24.12	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	76.3	-		No	-		97.3	63.1	71.1		-
5sqz	1.05 Å	2022-07-06	X-ray	QXC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.49%	15.39%	5.80%	N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine	N-[(pyridin-2-yl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine	XDS	99.80%	12.7	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	73.2	-		No	-		97.9	63.1	62.3		-
5sr0	1.05 Å	2022-07-06	X-ray	QY0, QXS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.06%	16.03%	8.40%	(1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol; (1S,2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol	(1R,2S)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol; (1S,2R)-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol	XDS	99.80%	8.35	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	63.5	-		No	-		97.0	32.6	72.0		-
5sr1	1.05 Å	2022-07-06	X-ray	QXL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.00%	14.93%	4.40%	(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione	(3R)-3-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-1lambda~6~-thiane-1,1-dione	XDS	99.80%	17.37	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	63.4	-		No	-		98.4	49.1	54.1		-
5sr2	1.05 Å	2022-07-06	X-ray	QYC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.65%	15.55%	3.60%	(1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	20.53	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	73.4	-		No	-		97.7	52.3	73.8		-
5sr3	1.05 Å	2022-07-06	X-ray	QYJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.66%	15.43%	4.80%	(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.70%	16.42	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.8	-		No	-		97.8	43.4	86.1		-
5sr4	1.05 Å	2022-07-06	X-ray	QYU, QYO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.00%	15.57%	5.30%	(1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol; (1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol	(1R,3S)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol; (1S,3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclopentan-1-ol	XDS	99.70%	13.77	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	80.1	-		No	-		97.7	63.1	82.3		-
5sr5	1.05 Å	2022-07-06	X-ray	QZ6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.05%	14.71%	4.50%	(2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione	(2R)-2-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione	XDS	99.70%	17.15	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	73.0	-		No	-		98.6	46.2	78.0		-
5sr6	1.05 Å	2022-07-06	X-ray	QZF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.56%	15.33%	5.00%	(8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	(8R)-8-fluoro-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	XDS	99.80%	14.29	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.2	-		No	-		97.9	49.1	71.3		-
5sr7	1.05 Å	2022-07-06	X-ray	QZO, QZX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.37%	17.44%	7.90%	(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid; (1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid	(1S,6R,7S)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid; (1R,6S,7R)-3-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-azabicyclo[4.1.0]heptane-7-carboxylic acid	XDS	99.60%	8.51	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	56.4	-		No	-		94.0	27.9	65.4		-
5sr8	1.10 Å	2022-07-06	X-ray	R0A	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.01%	17.10%	7.30%	[(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid	[(6S)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]acetic acid	XDS	99.60%	9.88	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.5	-		No	-		94.8	55.7	84.3		-
5sr9	1.05 Å	2022-07-06	X-ray	R0H	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.50%	15.35%	4.90%	methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate	methyl (3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-3-(hydroxymethyl)pyrrolidine-3-carboxylate	XDS	99.80%	14.79	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	63.7	-		No	-		97.9	46.2	57.9		-
5sra	1.05 Å	2022-07-06	X-ray	R0L	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.76%	15.70%	3.80%	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholine-2-carboxylic acid	XDS	99.90%	19.18	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.2	-		No	-		97.5	55.7	72.6		-
5srb	1.05 Å	2022-07-06	X-ray	R0R, R0W	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.94%	15.80%	5.90%	(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid; (8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid	(8R)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid; (8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-2-oxa-6-azaspiro[3.4]octane-8-carboxylic acid	XDS	99.80%	11.67	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	68.3	-		No	-		97.4	38.5	76.1		-
5src	1.05 Å	2022-07-06	X-ray	QIO, QIR	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.56%	17.54%	4.50%	(2R)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid; (2S)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid	(2R)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid; (2S)-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl](hydroxy)acetic acid	XDS	99.80%	15.42	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	55.4	-		No	-		93.7	34.4	57.4		-
5srd	1.05 Å	2022-07-06	X-ray	R8K	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.69%	16.52%	5.80%	(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)-6-azaspiro[3.4]octane-8-carboxamide	(8S)-8-fluoro-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)-6-azaspiro[3.4]octane-8-carboxamide	XDS	99.80%	12.64	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	80.3	-		No	-		96.2	63.1	84.3		-
5sre	1.05 Å	2022-07-06	X-ray	R8R	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.37%	15.19%	4.30%	(5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid	(5R)-7-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-7-azaspiro[3.5]nonane-5-carboxylic acid	XDS	99.70%	17.12	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	66.3	-		No	-		98.1	63.1	46.4		-
5srf	1.05 Å	2022-07-06	X-ray	R8Z	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.85%	15.60%	6.10%	(3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione	(3R)-3-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)(methyl)amino]-1lambda~6~-thiane-1,1-dione	XDS	99.80%	12.04	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.2	-		No	-		97.6	34.4	77.6		-
5srg	1.05 Å	2022-07-06	X-ray	R98	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.48%	15.07%	5.10%	7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-9H-pyrimido[4,5-b]indol-4-amine	7-fluoro-N-methyl-N-[(pyridin-2-yl)methyl]-9H-pyrimido[4,5-b]indol-4-amine	XDS	99.80%	14.7	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	53.7	-		No	-		98.2	22.4	61.5		-
5srh	1.05 Å	2022-07-06	X-ray	TFA, R9F	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.38%	16.11%	5.90%	7-fluoro-9H-pyrimido[4,5-b]indol-4-amine; trifluoroacetic acid	trifluoroacetic acid; 7-fluoro-9H-pyrimido[4,5-b]indol-4-amine	XDS	99.80%	12.11	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	60.8	-		No	-		96.9	22.4	76.8		-
5sri	1.05 Å	2022-07-06	X-ray	R9F	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.05%	15.75%	5.40%	7-fluoro-9H-pyrimido[4,5-b]indol-4-amine	7-fluoro-9H-pyrimido[4,5-b]indol-4-amine	XDS	99.60%	13.73	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	60.8	-		No	-		97.4	19.4	79.3		-
5srj	1.05 Å	2022-07-06	X-ray	R9L	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.38%	14.90%	4.40%	3-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione	3-{[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}-1lambda~6~-thietane-1,1-dione	XDS	99.60%	17.43	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	72.2	-		No	-		98.4	55.7	66.8		-
5srk	1.05 Å	2022-07-06	X-ray	R9U	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.93%	14.56%	3.70%	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide	(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-N-(methanesulfonyl)morpholine-2-carboxamide	XDS	99.80%	20.7	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	73.7	-		No	-		98.7	67.2	58.6		-
5srl	1.05 Å	2022-07-06	X-ray	RA3	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.12%	14.80%	4.50%	[(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid	[(2R,6R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-(hydroxymethyl)morpholin-2-yl]acetic acid	XDS	99.80%	17.38	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.2	-		No	-		98.5	52.3	74.9		-
5srm	1.05 Å	2022-07-06	X-ray	RBB	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.32%	15.06%	4.50%	[(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid	[(2R)-6,6-dimethyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid	XDS	99.80%	16.54	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	66.8	-		No	-		98.2	59.3	51.2		-
5srn	1.05 Å	2022-07-06	X-ray	RBO, RC3	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.22%	14.95%	3.50%	[(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid; [(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid	[(2R)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid; [(2S)-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetic acid	XDS	99.70%	22.31	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	76.2	-		No	-		98.4	55.7	77.1		-
5sro	1.05 Å	2022-07-06	X-ray	RCR, RD6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.55%	15.33%	3.90%	(8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid; (8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid	(8R)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid; (8S)-6-(7-bromo-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid	XDS	99.70%	18.97	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	59.8	-		No	-		97.9	49.1	47.0		-
5srp	1.05 Å	2022-07-06	X-ray	TFA, RDN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.17%	15.04%	3.90%	trifluoroacetic acid; (8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	trifluoroacetic acid; (8R)-6-(9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	XDS	99.70%	19.97	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.9	-		No	-		98.3	59.3	62.5		-
5srq	1.05 Å	2022-07-06	X-ray	RDU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.05%	14.74%	4.90%	[(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol	[(6R)-8-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-5-oxa-8-azaspiro[3.5]nonan-6-yl]methanol	XDS	99.80%	15.4	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.6	-		No	-		98.5	52.3	59.5		-
5srr	1.05 Å	2022-07-06	X-ray	RF0	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.23%	14.87%	3.50%	[(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol	[(2S,6S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-methoxymorpholin-2-yl]methanol	XDS	99.70%	22.37	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	68.9	-		No	-		98.4	38.5	76.3		-
5srs	1.05 Å	2022-07-06	X-ray	RFU, RFI	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.92%	14.35%	4.50%	3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one; 3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one	3-[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one; 3-[(3S)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidin-3-yl]-1,3-oxazolidin-2-one	XDS	99.90%	17.52	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.9	-		No	-		98.9	52.3	76.4		-
5srt	1.05 Å	2022-07-06	X-ray	RG5	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.07%	16.68%	3.80%	7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole	7-fluoro-4-[(2R)-2-(1H-tetrazol-5-yl)morpholin-4-yl]-9H-pyrimido[4,5-b]indole	XDS	99.80%	19.19	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	64.0	-		No	-		95.8	36.4	70.6		-
5sru	1.05 Å	2022-07-06	X-ray	RGF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.02%	16.76%	4.90%	(8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	(8S)-6-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	XDS	99.70%	15.08	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	57.8	-		No	-		95.7	27.9	66.5		-
5srv	1.05 Å	2022-07-06	X-ray	RI3	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.35%	16.52%	8.20%	(3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid	(3R,4R)-4-cyclopropyl-3-fluoro-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)pyrrolidine-3-carboxylic acid	XDS	99.80%	8.15	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.8	-		No	-		96.2	55.7	75.5		-
5srw	1.05 Å	2022-07-06	X-ray	RI7	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.02%	14.58%	5.90%	methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate	methyl [(2S)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]acetate	XDS	99.80%	13.26	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	72.8	-		No	-		98.7	59.3	64.3		-
5srx	1.05 Å	2022-07-06	X-ray	RIK	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.48%	15.13%	3.70%	3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid	3-[(2R)-4-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]propanoic acid	XDS	99.70%	19.91	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	76.3	-		No	-		98.2	67.2	66.1		-
5sry	1.05 Å	2022-07-06	X-ray	RIW	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.35%	15.05%	5.80%	1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one	1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]pyrrolidin-2-one	XDS	99.90%	13.17	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	62.9	-		No	-		98.2	34.4	67.9		-
5srz	1.05 Å	2022-07-06	X-ray	RIZ, RJ9	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.50%	16.13%	6.70%	(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid; (1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid	(1R,2S)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid; (1S,2R)-2-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]cyclohexane-1-carboxylic acid	XDS	99.80%	10.35	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.7	-		No	-		96.9	63.1	75.3		-
5ss0	1.15 Å	2022-07-06	X-ray	RJL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.17%	15.14%	5.30%	3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide	3-hydroxy-N-{2-[(5-methoxypyridine-3-carbonyl)amino]ethyl}pyridine-2-carboxamide	XDS	99.80%	15.1	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	76.7	-		No	-		98.2	55.7	78.6		-
5ss1	1.15 Å	2022-07-06	X-ray	RJS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.14%	18.71%	8.60%	(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide	(8S)-N-[(4-bromo-3-fluorophenyl)methanesulfonyl]pyrazolo[1,5-a]pyridine-3-carboxamide	XDS	99.90%	7.91	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	62.3	-		No	-		89.2	32.6	77.2		-
5ss2	1.15 Å	2022-07-06	X-ray	RK0	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.85%	15.96%	5.40%	N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide	N-{5-[(3-cyano-4-methylphenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}acetamide	XDS	99.70%	17.3	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	70.1	-		No	-		97.1	46.2	72.6		-
5ss3	1.15 Å	2022-07-06	X-ray	RK9	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.54%	17.96%	10.10%	N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide	N-{5-[(3-cyanophenyl)sulfamoyl]-4-methyl-1,3-thiazol-2-yl}propanamide	XDS	99.90%	7.65	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	63.3	-		No	-		92.3	32.6	76.5		-
5ss4	1.15 Å	2022-07-06	X-ray	RKI	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.24%	15.89%	6.80%	(3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid	(3-{[(thieno[3,2-d]pyrimidine-4-carbonyl)amino]methyl}phenyl)acetic acid	XDS	99.90%	13.23	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	50.8	-		No	-		97.2	19.4	59.8		-
5ss5	1.15 Å	2022-07-06	X-ray	RKU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.00%	16.07%	4.90%	(3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid	(3S)-3-(4-bromophenyl)-3-[(6-fluoro-1H-benzimidazole-4-carbonyl)amino]propanoic acid	XDS	99.60%	15.66	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	64.0	-		No	-		97.0	32.6	73.2		-
5ss6	1.15 Å	2022-07-06	X-ray	RL5	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.77%	15.79%	6.60%	1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid	1-(2-{[2-(ethylamino)-1,3-thiazole-5-carbonyl]amino}ethyl)-1H-imidazole-4-carboxylic acid	XDS	99.80%	12.32	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	72.2	-		No	-		97.4	49.1	74.3		-
5ss7	1.15 Å	2022-07-06	X-ray	RL9	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.78%	14.60%	6.30%	4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid	4-fluoro-3-{[(1H-indole-5-carbonyl)amino]methyl}benzoic acid	XDS	99.90%	14.91	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	76.9	-		No	-		98.7	59.3	75.2		-
5ss8	1.15 Å	2022-07-06	X-ray	RLN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.85%	14.98%	4.30%	(4-{[(thieno[3,2-b]pyridine-7-carbonyl)amino]methyl}phenyl)acetic acid	(4-{[(thieno[3,2-b]pyridine-7-carbonyl)amino]methyl}phenyl)acetic acid	XDS	99.90%	19.52	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	78.1	-		No	-		98.3	55.7	82.8		-
5ss9	1.15 Å	2022-07-06	X-ray	RLU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.47%	16.65%	5.50%	(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid	(3R)-3-(4-bromophenyl)-3-[(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]propanoic acid	XDS	99.60%	14.01	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	51.4	-		No	-		95.9	16.8	65.0		-
5ssa	1.15 Å	2022-07-06	X-ray	RM6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.78%	17.17%	7.40%	[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid	[(1r,3r)-3-{[(thieno[2,3-c]pyridine-5-carbonyl)amino]methyl}cyclobutyl]acetic acid	XDS	99.90%	9.93	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.6	-		No	-		94.7	32.6	83.0		-
5ssb	1.15 Å	2022-07-06	X-ray	RMU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.57%	15.67%	6.10%	4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide	4-[(6-chloro-5-cyanopyridin-3-yl)sulfamoyl]-5-methylfuran-2-carboxamide	XDS	99.80%	12.41	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	75.0	-		No	-		97.6	46.2	84.0		-
5ssc	1.15 Å	2022-07-06	X-ray	RNC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.54%	16.65%	7.00%	[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone	[3-(5-hydroxy-1,2,4-oxadiazol-3-yl)azetidin-1-yl][5-(methylamino)pyrazin-2-yl]methanone	XDS	99.80%	10.91	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	63.3	-		No	-		95.9	34.4	71.0		-
5ssd	1.15 Å	2022-07-06	X-ray	RNL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.81%	15.80%	7.70%	(1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid	(1R,2S)-2-({2-[(4S)-7-methyl-8-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrazin-3-yl]ethyl}carbamoyl)cyclopropane-1-carboxylic acid	XDS	99.50%	10.95	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	80.3	-		No	-		97.4	59.3	87.3		-
5sse	1.15 Å	2022-07-06	X-ray	ROO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.96%	14.89%	4.80%	2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid	2-methyl-5-{[(9H-pyrimido[4,5-b]indol-4-yl)amino]methyl}furan-3-carboxylic acid	XDS	99.70%	19.54	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.9	-		No	-		98.4	46.2	75.5		-
5ssf	1.15 Å	2022-07-06	X-ray	RP0	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.08%	16.52%	7.30%	4-[(4-bromo-3-cyanophenyl)sulfamoyl]-5-methylfuran-2-carboxamide	4-[(4-bromo-3-cyanophenyl)sulfamoyl]-5-methylfuran-2-carboxamide	XDS	99.60%	10.41	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.0	-		No	-		96.2	43.4	78.3		-
5ssg	1.15 Å	2022-07-06	X-ray	RPU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.91%	16.26%	7.50%	(3R)-3-(2H-1,3-benzodioxol-5-yl)-3-[(2R)-3-(furan-2-yl)-2-methylpropanamido]propanoic acid	(3R)-3-(2H-1,3-benzodioxol-5-yl)-3-[(2R)-3-(furan-2-yl)-2-methylpropanamido]propanoic acid	XDS	99.30%	10.23	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	57.9	-		No	-		96.7	34.4	59.3		-
5ssh	1.15 Å	2022-07-06	X-ray	RQ8	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.19%	14.93%	4.70%	3-(5-bromopyridin-3-yl)-N-[5-(1,1-difluoroethyl)pyridine-3-carbonyl]-L-alanine	3-(5-bromopyridin-3-yl)-N-[5-(1,1-difluoroethyl)pyridine-3-carbonyl]-L-alanine	XDS	99.90%	19.67	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	56.5	-		No	-		98.4	36.4	52.8		-
5ssi	1.15 Å	2022-07-06	X-ray	RQC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.41%	15.20%	5.80%	(3R)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid	(3R)-1-[3-(1-methyl-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl)propanoyl]pyrrolidine-3-carboxylic acid	XDS	99.50%	14.92	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	73.4	-		No	-		98.1	52.3	73.3		-
5ssj	1.15 Å	2022-07-06	X-ray	RQI	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.75%	14.63%	3.70%	2-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid	2-{2-[(6-fluoro-1H-benzimidazole-5-carbonyl)amino]ethyl}-1,3-thiazole-4-carboxylic acid	XDS	99.50%	24.1	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	60.0	-		No	-		98.6	49.1	46.8		-
5ssk	1.15 Å	2022-07-06	X-ray	RQR	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.49%	14.46%	4.80%	(1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid	(1S,4R)-4-[(thieno[2,3-d]pyrimidine-4-carbonyl)amino]cyclopent-2-ene-1-carboxylic acid	XDS	99.60%	24.47	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.5	-		No	-		98.8	38.5	72.8		-
5ssl	1.15 Å	2022-07-06	X-ray	RR3	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.12%	16.31%	7.10%	1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide	1-[4-(cyanomethyl)phenyl]-N-(1-methyl-1H-pyrazolo[4,3-d]pyrimidin-7-yl)methanesulfonamide	XDS	99.70%	11.7	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	65.9	-		No	-		96.6	26.7	83.6		-
5ssm	1.15 Å	2022-07-06	X-ray	RS0, RRF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.82%	15.61%	4.20%	(1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-1-[(1H-benzimidazole-5-carbonyl)amino]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.40%	21.54	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	65.0	-		No	-		97.6	36.4	71.0		-
5ssn	1.15 Å	2022-07-06	X-ray	RS9	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.40%	15.21%	4.50%	(1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2S)-4-hydroxy-1-{[2-(hydroxymethyl)-1H-benzimidazole-5-carbonyl]amino}-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.40%	19.13	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	58.4	-		No	-		98.1	24.4	68.9		-
5sso	1.15 Å	2022-07-06	X-ray	RT5, RSR	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.65%	15.66%	5.70%	(8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid; (8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid	(8S)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid; (8R)-6-(2-amino-7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)-8-fluoro-6-azaspiro[3.4]octane-8-carboxylic acid	XDS	99.70%	14.95	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	59.6	-		No	-		97.6	38.5	57.6		-
5ssp	1.15 Å	2022-07-06	X-ray	RTI, RTU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.15%	14.95%	4.40%	(1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-4-hydroxy-1-[(1H-indole-5-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.40%	19.66	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	78.8	-		No	-		98.4	49.1	91.4		-
5ssq	1.15 Å	2022-07-06	X-ray	RV3	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.31%	15.05%	4.30%	3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid	3-{[(1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid	XDS	99.40%	20.38	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	66.1	-		No	-		98.2	29.3	79.6		-
5ssr	1.15 Å	2022-07-06	X-ray	RVF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.94%	14.70%	5.10%	3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid	3-{[(2-hydroxy-1H-benzimidazole-5-carbonyl)amino]methyl}-1H-indole-2-carboxylic acid	XDS	98.80%	16.78	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	73.7	-		No	-		98.6	55.7	70.4		-
7vbe	1.59 Å	2022-07-06	X-ray	-	SARS-CoV-2	Nucleocapsid	PPI	20.30%	22.64%	7.60%		-	XDS	99.80%	8.4	SSRF (BL17U1)	PHENIX	2021-08-31	-	-	-	-	-	N/A	-	-	Nucleoprotein - dimerization domain	60.3	-		No	-	-	58.8	70.4	65.9		-
7vbf	1.30 Å	2022-07-06	X-ray	-	SARS-CoV-2	Nucleocapsid	PPI	18.50%	20.39%	N/A		-	XDS	99.10%	19.3	SSRF (BL17U1)	PHENIX	2021-08-31	-	-	-	-	-	N/A	-	-	Nucleoprotein - dimerization domain	74.6	-		No	-	-	79.0	59.6	88.1		-
7x1m	2.74 Å	2022-07-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-02-24	35777362	-	-	-	-	N/A	-	-	BD-604 Fab heavy chain; S309 Fab light chain; S309 Fab heavy chain; Spike protein S1 - RBD; S304 Fab light chain; S304 Fab haavy chain; BD-604 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7x6j	1.50 Å	2022-07-06	X-ray	QNC	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.97%	20.36%	10.00%	quinoline-2-carboxylic acid	quinoline-2-carboxylic acid	HKL-2000	98.60%	7.4	SSRF (BL18U1)	PHENIX	2022-03-07	35709506	-	-	-	-	N/A	-	-	3C-like proteinase	60.3	-		No	-		79.2	28.4	87.5		-
7x6k	2.34 Å	2022-07-06	X-ray	9FF	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.24%	27.04%	16.70%	1H-indole-2-carbaldehyde	1H-indole-2-carbaldehyde	XDS	96.90%	12.0	SSRF (BL02U1)	PHENIX	2022-03-07	35709506	-	-	-	-	N/A	-	-	3C-like proteinase	58.2	-		No	-		19.3	78.5	93.1		-
7xaz	3.00 Å	2022-07-06	X-ray	NAG	SARS-CoV-2	Spike	PPI	19.76%	23.02%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.90%	11.3	SSRF (BL02U1)	PHENIX	2022-03-19	35809570	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1 - Omicron RBD	58.7	-		No	-		54.8	92.6	44.5		-
7xb0	2.90 Å	2022-07-06	X-ray	NAG	SARS-CoV-2	Spike	PPI	21.56%	25.52%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	96.50%	13.3	SSRF (BL10U2)	PHENIX	2022-03-19	35809570	ZN	-	-	-	N/A	-	-	Spike protein S1 - Omicron BA.2 RBD; Angiotensin-converting enzyme 2	9.4	-		No	-		30.5	20.3	35.7		-
7xb1	2.70 Å	2022-07-06	X-ray	NAG	SARS-CoV-2	Spike	PPI	21.40%	24.80%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.80%	16.6	SSRF (BL19U1)	PHENIX	2022-03-19	35809570	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1 - BA.3 RBD	12.3	-		No	-		37.0	23.0	35.4		-
7y42	3.45 Å	2022-07-06	Cryo-EM	NAG, REA	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; RETINOIC ACID	2-acetamido-2-deoxy-beta-D-glucopyranose; RETINOIC ACID		-	-	()		2022-06-13	35862773	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8cwu	1.71 Å	2022-07-06	X-ray	-	SARS-CoV-2	Spike	PPI	18.51%	20.32%	10.30%		-	HKL-2000	98.10%	5.2	APS (23-ID-D)	PHENIX	2022-05-19	35738279	-	-	-	-	N/A	-	-	VHH 1-21; Spike protein S1 - Receptor binding domain, UNP residues 333-530	48.2	-		No	-		79.4	25.6	66.5		-
8cwv	2.51 Å	2022-07-06	X-ray	-	SARS-CoV-2	Spike	PPI	23.77%	26.40%	14.70%		-	HKL-2000	84.00%	4.3	APS (23-ID-D)	PHENIX	2022-05-19	35738279	-	-	-	-	N/A	-	-	CC12.1 Fab light chain; CC12.1 Fab heavy chain; Spike protein S1 - Receptor binding domain, UNP residues 333-530; VHH 2-31	24.2	-		No	-		23.6	54.8	45.3		-
8cxn	2.90 Å	2022-07-06	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-05-22	35738279	-	-	-	-	N/A	-	-	Spike glycoprotein; pan-sarbecovirus nanobody 2-57	N/A	-		No	-		N/A	N/A	N/A		-
8cxq	2.30 Å	2022-07-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX; phenix.real_space_refine	2022-05-22	35738279	-	-	-	-	N/A	-	-	pan-sarbecovirus nanobody 1-22; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8cy6	3.20 Å	2022-07-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-05-23	35738279	-	-	-	-	N/A	-	-	Spike glycoprotein; pan-sarbecovirus nanobody 2-65	N/A	-		No	-		N/A	N/A	N/A		-
8cy7	2.90 Å	2022-07-06	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-05-23	35738279	-	-	-	-	N/A	-	-	pan-sarbecovirus nanobody 2-38; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8cy9	2.90 Å	2022-07-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-05-23	35738279	-	-	-	-	N/A	-	-	Spike glycoprotein; pan-sarbecovirus nanobody 1-23	N/A	-		No	-		N/A	N/A	N/A		-
8cya	2.70 Å	2022-07-06	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-05-23	35738279	-	-	-	-	N/A	-	-	Spike glycoprotein; pan-sarbecovirus nanobody 2-67	N/A	-		No	-		N/A	N/A	N/A		-
8cyb	2.70 Å	2022-07-06	Cryo-EM	NAG, AH2	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	1-deoxy-alpha-D-mannopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; 1-deoxy-alpha-D-mannopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-05-23	35738279	-	-	-	-	N/A	-	-	Spike glycoprotein; pan-sarbecovirus nanobody 1-8	N/A	-		No	-		N/A	N/A	N/A		-
8cyc	2.90 Å	2022-07-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-05-23	35738279	-	-	-	-	N/A	-	-	Spike glycoprotein; pan-sarbecovirus nanobody 2-34	N/A	-		No	-		N/A	N/A	N/A		-
8cyd	2.60 Å	2022-07-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-05-23	35738279	-	-	-	-	N/A	-	-	Spike glycoprotein; pan-sarbecovirus nanobody 2-45	N/A	-		No	-		N/A	N/A	N/A		-
8cyj	3.60 Å	2022-07-06	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	phenix.real_space_refine; PHENIX	2022-05-23	35738279	-	-	-	-	N/A	-	-	pan-sarbecovirus nanobody 2-67; pan-sarbecovirus nanobody 2-62; pan-sarbecovirus nanobody 2-10; pan-sarbecovirus nanobody 1-25; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dcc	2.60 Å	2022-07-06	X-ray	NAG	SARS-CoV-2	Spike	PPI	22.05%	27.22%	18.70%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	8.2	APS (23-ID-D)	PHENIX	2022-06-16	36103542	-	-	-	-	N/A	-	-	P2B-2F6 Fab light chain; Spike protein S1 - RBD SPEEDesign Immunogen 3 (UNP residues 333-526); P2B-2F6 Fab heavy chain	33.8	-		No	-		18.3	72.3	53.0		-
8dgy	1.65 Å	2022-07-06	X-ray	SD6, S9U	MERS-CoV	NSP5 (3CLpro)	Functional ligand	16.37%	20.23%	4.80%	[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	[(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; [(1~{R},2~{R})-2-(cyclohexylmethyl)cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	XDS	96.90%	12.9	NSLS-II (19-ID)	PHENIX	2022-06-24	36654747	-	-	-	-	N/A	-	-	3C-like proteinase	79.8	-		No	-		80.1	88.6	73.4		-
5soi	1.05 Å	2022-07-13	X-ray	WYY, WVG	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.79%	15.57%	3.10%	3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid; 3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid	3-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid; 3-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]propanoic acid	XDS	99.80%	24.07	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.5	-		No	-		97.7	49.1	63.4		-
5soj	1.05 Å	2022-07-13	X-ray	RWQ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.43%	15.01%	5.10%	[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]methanol	[(3R)-1-(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)piperidin-3-yl]methanol	XDS	99.70%	14.46	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	57.5	-		No	-		98.3	26.7	64.6		-
5sok	1.05 Å	2022-07-13	X-ray	RVO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.02%	15.91%	7.60%	5-chloro-6-{(3R)-3-[(pyridin-4-yl)oxy]pyrrolidin-1-yl}pyrimidin-4-amine	5-chloro-6-{(3R)-3-[(pyridin-4-yl)oxy]pyrrolidin-1-yl}pyrimidin-4-amine	XDS	99.80%	9.68	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	76.6	-		No	-		97.2	63.1	71.9		-
5sol	1.05 Å	2022-07-13	X-ray	WVM	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.62%	16.28%	3.00%	(8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	(8S)-8-fluoro-6-(6-{[(2R)-2-hydroxypropyl]amino}pyrimidin-4-yl)-6-azaspiro[3.4]octane-8-carboxylic acid	XDS	99.70%	23.77	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	70.3	-		No	-		96.6	46.2	73.4		-
5som	1.05 Å	2022-07-13	X-ray	WVY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.75%	15.56%	6.60%	[(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate	[(3S)-2-oxopiperidin-3-yl]methyl [4-(1H-pyrazol-1-yl)phenyl]acetate	XDS	100.00%	11.72	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.5	-		No	-		97.7	67.2	70.0		-
5son	1.05 Å	2022-07-13	X-ray	WW1	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.65%	17.83%	5.90%	3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole	3-{[(2R)-2-phenylpropyl]sulfanyl}-7H-[1,2,4]triazolo[4,3-b][1,2,4]triazole	XDS	99.90%	11.39	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.5	-		No	-		92.7	46.2	71.3		-
5soo	1.05 Å	2022-07-13	X-ray	WW4	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.08%	15.74%	4.00%	4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine	4-{(3R)-3-[(1,3-thiazol-2-yl)methyl]pyrrolidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine	XDS	99.70%	18.27	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	56.6	-		No	-		97.4	21.5	68.7		-
5sop	1.05 Å	2022-07-13	X-ray	RYI	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.66%	17.36%	3.70%	(5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione	(5R)-7-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2lambda~6~-thia-7-azaspiro[4.5]decane-2,2-dione	XDS	100.00%	19.46	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	46.5	-		No	-		94.2	16.5	57.8		-
5soq	1.05 Å	2022-07-13	X-ray	WWJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.74%	15.58%	4.80%	5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine	5-ethyl-4-{(3R)-3-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]piperidin-1-yl}-7H-pyrrolo[2,3-d]pyrimidine	XDS	99.70%	15.15	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	56.5	-		No	-		97.7	16.8	73.0		-
5sor	1.05 Å	2022-07-13	X-ray	WWP	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.80%	15.58%	4.40%	3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine	3-{[3-(trifluoromethyl)phenyl]methyl}-3H-purin-6-amine	XDS	99.90%	17.5	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	49.3	-		No	-		97.7	18.8	57.3		-
5sos	1.05 Å	2022-07-13	X-ray	WWS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.38%	15.06%	3.30%	3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine	3-[(5-chloropyridin-2-yl)methyl]-3H-purin-6-amine	XDS	99.90%	23.24	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.3	-		No	-		98.2	38.5	82.0		-
5sot	1.05 Å	2022-07-13	X-ray	S1O, WX4	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.57%	15.42%	3.30%	{1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol; {1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol	{1-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol; {1-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1H-1,2,3-triazol-4-yl}methanol	XDS	99.80%	22.57	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.1	-		No	-		97.8	63.1	64.5		-
5sou	1.05 Å	2022-07-13	X-ray	RZ9, WX7	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.65%	15.21%	3.00%	5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one; 5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one	5-[(3S)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one; 5-[(3R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-3-yl]-1,3,4-oxadiazol-2(3H)-one	XDS	99.80%	24.48	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.4	-		No	-		98.1	55.7	65.2		-
5sov	1.05 Å	2022-07-13	X-ray	WXD, WXA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.93%	15.70%	2.80%	5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine; 5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine	5-ethyl-4-[(3S)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine; 5-ethyl-4-[(3R)-3-(methylsulfonyl)piperidin-1-yl]-7H-pyrrolo[2,3-d]pyrimidine	XDS	99.90%	26.28	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	72.3	-		No	-		97.5	49.1	74.4		-
5sow	1.05 Å	2022-07-13	X-ray	WXG	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.62%	17.70%	4.00%	1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one	1-{2-[(9H-purin-6-yl)sulfanyl]ethyl}pyrrolidin-2-one	XDS	99.80%	17.76	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	75.5	-		No	-		93.2	67.2	68.8		-
5sox	1.05 Å	2022-07-13	X-ray	WXJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.03%	13.56%	3.50%	4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile	4-[2-(6-amino-3H-purin-3-yl)ethoxy]benzonitrile	XDS	100.00%	25.01	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.7	-		No	-		99.4	59.3	76.8		-
5soy	1.05 Å	2022-07-13	X-ray	WXS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	16.28%	18.30%	6.90%	4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one	4-methyl-5-{[(9H-purin-6-yl)sulfanyl]methyl}-2H-1,3-dioxol-2-one	XDS	99.90%	9.37	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	62.1	-		No	-		91.0	43.4	64.5		-
5soz	1.05 Å	2022-07-13	X-ray	WXY	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.06%	16.20%	5.00%	(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone	(1-azaspiro[4.5]decan-1-yl)(7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone	XDS	99.80%	14.57	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	55.0	-		No	-		96.8	23.4	64.6		-
5sp0	1.05 Å	2022-07-13	X-ray	WY7	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.95%	14.65%	3.40%	3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine	3-{[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl}-3H-purin-6-amine	XDS	99.90%	24.56	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.2	-		No	-		98.6	46.2	73.5		-
5sp1	1.03 Å	2022-07-13	X-ray	WYA	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.49%	17.28%	10.30%	3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one	3-{[methyl(pyrido[2,3-b]pyrazin-6-yl)amino]methyl}[1,2,4]triazolo[4,3-a]pyrazin-8(7H)-one	XDS	100.00%	6.77	NSLS-II (17-ID-2)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	68.7	-		No	-		94.4	52.3	66.0		-
5sp2	0.97 Å	2022-07-13	X-ray	S3E, WYG	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.83%	15.45%	6.30%	[(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid; [(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid	[(2S)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid; [(2R)-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)morpholin-2-yl]acetic acid	XDS	100.00%	11.44	NSLS-II (17-ID-2)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	66.6	-		No	-		97.8	38.5	72.0		-
5sp3	1.01 Å	2022-07-13	X-ray	WYJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.11%	15.98%	7.40%	[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol	[(2S,6R)-6-methyl-4-(9H-pyrimido[4,5-b]indol-4-yl)morpholin-2-yl]methanol	XDS	99.60%	10.14	NSLS-II (17-ID-2)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.9	-		No	-		97.1	27.9	86.2		-
5sp4	1.06 Å	2022-07-13	X-ray	RWL	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.81%	17.76%	11.30%	9-[(2-chloro-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine	9-[(2-chloro-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine	XDS	99.80%	6.87	SSRL (BL12-1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	49.1	-		No	-		93.0	11.5	68.9		-
5sp6	1.07 Å	2022-07-13	X-ray	RXX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	17.25%	20.42%	10.70%	9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine	9-{[(2P)-2-(5-methylfuran-2-yl)-1,3-thiazol-4-yl]methyl}-9H-purine-2,6-diamine	XDS	99.40%	6.81	SSRL (BL12-2)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	40.1	-		No	-		78.7	14.1	63.3		-
5sp7	1.05 Å	2022-07-13	X-ray	RVS	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.38%	15.18%	3.60%	(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid	(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid	XDS	99.70%	23.08	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	77.3	-		No	-		98.1	59.3	76.8		-
5sp8	1.05 Å	2022-07-13	X-ray	RXI	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.44%	16.19%	4.50%	(6~{S})-7-[4-(cyclopropylcarbamoylamino)phenyl]carbonyl-3-methyl-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid	(6~{S})-7-[4-(cyclopropylcarbamoylamino)phenyl]carbonyl-3-methyl-6,8-dihydro-5~{H}-[1,2,4]triazolo[4,3-a]pyrazine-6-carboxylic acid	XDS	99.80%	15.69	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	68.5	-		No	-		96.8	41.0	74.6		-
5sp9	1.05 Å	2022-07-13	X-ray	RWC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.01%	14.59%	4.70%	(3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid	(3S)-1-[4-(cyclopropylcarbamamido)benzoyl]-1,2,3,4-tetrahydroquinoline-3-carboxylic acid	XDS	99.90%	15.99	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	82.0	-		No	-		98.7	67.2	84.3		-
5spa	1.05 Å	2022-07-13	X-ray	RYC, RY6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.72%	15.50%	5.10%	(1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-1-(4-carbamamidobenzamido)-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.80%	14.18	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	78.2	-		No	-		97.8	55.7	83.5		-
5spb	1.05 Å	2022-07-13	X-ray	S09, S0T	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.62%	16.52%	8.10%	(1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-4-hydroxy-1-[4-(phenylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.70%	8.55	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.6	-		No	-		96.2	59.3	71.4		-
5spc	1.05 Å	2022-07-13	X-ray	QLF, QLU	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.46%	15.33%	5.30%	(1R,2R)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-4-hydroxy-1-[(5,6,7,8-tetrahydro-1,8-naphthyridine-3-carbonyl)amino]-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.70%	14.57	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.6	-		No	-		97.9	59.3	69.6		-
5spd	1.05 Å	2022-07-13	X-ray	QRU, QYJ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.32%	16.23%	6.00%	(1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2R)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid; (1S,2S)-1-[4-(cyclopropylcarbamamido)benzamido]-4-hydroxy-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.60%	11.9	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	70.8	-		No	-		96.7	46.2	74.5		-
5spe	1.05 Å	2022-07-13	X-ray	S1F	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.94%	14.40%	3.30%	(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-1-{4-[(methoxycarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	23.69	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	79.4	-		No	-		98.8	59.3	82.4		-
5spf	1.05 Å	2022-07-13	X-ray	RYQ	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.23%	15.98%	3.30%	9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine	9-[(2-methyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine	XDS	99.70%	24.23	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	65.6	-		No	-		97.1	38.5	70.5		-
5spg	1.05 Å	2022-07-13	X-ray	RZI	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.77%	15.79%	5.10%	9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine	9-[(2-cyclopropyl-1,3-thiazol-4-yl)methyl]-9H-purine-2,6-diamine	XDS	99.90%	14.29	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	58.3	-		No	-		97.4	20.8	72.9		-
5sph	1.05 Å	2022-07-13	X-ray	RZR	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.35%	15.08%	4.60%	(1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2S)-1-[4-(methylcarbamamido)benzamido]-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.80%	15.73	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	79.9	-		No	-		98.2	63.1	81.1		-
5spi	1.05 Å	2022-07-13	X-ray	S1X, S2R	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.84%	14.51%	3.50%	(1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	(1S,2S)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid; (1R,2R)-1-{4-[(cyclopropanecarbonyl)amino]benzamido}-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.90%	22.33	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	80.8	-		No	-		98.7	63.1	83.7		-
5spj	1.05 Å	2022-07-13	X-ray	S3R	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.91%	14.63%	4.50%	5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine	5-chloro-N~3~-[(4-cyclopropyl-5-methyl-4H-1,2,4-triazol-3-yl)methyl]pyrazine-2,3-diamine	XDS	99.80%	16.87	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	81.0	-		No	-		98.6	67.2	80.3		-
5spk	1.05 Å	2022-07-13	X-ray	S4F	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.13%	15.97%	4.70%	3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid	3-[(3R)-1-(6-amino-5-chloropyrimidin-4-yl)piperidin-3-yl]propanoic acid	XDS	99.80%	15.12	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	72.2	-		No	-		97.1	46.2	77.4		-
5spl	1.05 Å	2022-07-13	X-ray	RW5	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.89%	14.44%	4.30%	[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl](7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone	[(2S,4S)-4-methyl-2-(5-methylfuran-2-yl)piperidin-1-yl](7H-pyrrolo[2,3-d]pyrimidin-4-yl)methanone	XDS	99.80%	18.11	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	69.1	-		No	-		98.8	55.7	59.3		-
5spm	1.05 Å	2022-07-13	X-ray	S4O	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.82%	14.57%	4.20%	4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-one	4-hydroxy-6-(3-hydroxy-1-methyl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridine-6-carbonyl)-2H-pyran-2-one	XDS	99.70%	18.11	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	73.9	-		No	-		98.7	46.2	80.1		-
5spn	1.05 Å	2022-07-13	X-ray	S50	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.75%	15.52%	4.50%	1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide	1-cyclopentyl-3-methyl-N-(1H-pyrrolo[2,3-b]pyridin-5-yl)-1H-pyrazole-5-sulfonamide	XDS	99.70%	15.59	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	67.9	-		No	-		97.7	46.2	67.2		-
5spo	1.05 Å	2022-07-13	X-ray	S5F	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.47%	15.20%	3.20%	6-chloro-4-{(8S)-8-[(4H-1,2,4-triazol-4-yl)methyl]-6-azaspiro[3.4]octan-6-yl}pyrimidin-2(1H)-one	6-chloro-4-{(8S)-8-[(4H-1,2,4-triazol-4-yl)methyl]-6-azaspiro[3.4]octan-6-yl}pyrimidin-2(1H)-one	XDS	99.80%	24.89	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	81.6	-		No	-		98.1	67.2	83.1		-
5spp	1.05 Å	2022-07-13	X-ray	S5U	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.72%	15.56%	3.90%	4-[methyl(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid	4-[methyl(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)amino]butanoic acid	XDS	99.90%	18.52	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	70.3	-		No	-		97.7	59.3	59.3		-
5spq	1.05 Å	2022-07-13	X-ray	S63	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.58%	16.36%	5.50%	(3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid	(3R)-1-[(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)acetyl]-3-methylpyrrolidine-3-carboxylic acid	XDS	99.80%	12.29	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	75.1	-		No	-		96.5	63.1	68.6		-
5spr	1.05 Å	2022-07-13	X-ray	S6C	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.08%	15.87%	4.10%	[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]acetic acid	[(3S)-1-(7H-purin-6-yl)piperidin-3-yl]acetic acid	XDS	99.80%	17.52	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	62.3	-		No	-		97.3	27.9	74.0		-
5sps	1.05 Å	2022-07-13	X-ray	S6N	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.98%	16.70%	3.60%	(3S)-6,6-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-3-carboxylic acid	(3S)-6,6-dimethyl-1-(7H-pyrrolo[2,3-d]pyrimidine-4-carbonyl)piperidine-3-carboxylic acid	XDS	99.90%	19.95	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	57.3	-		No	-		95.8	34.4	58.9		-
5spt	1.05 Å	2022-07-13	X-ray	S6U	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.18%	16.07%	4.90%	2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate	2-(2-oxo-1,3-oxazolidin-3-yl)ethyl 7H-pyrrolo[2,3-d]pyrimidine-4-carboxylate	XDS	99.80%	14.77	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	71.5	-		No	-		97.0	49.1	73.1		-
5spu	1.05 Å	2022-07-13	X-ray	S7F	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.76%	15.47%	4.50%	(3S)-1-(6-amino-5-methylpyridine-3-sulfonyl)piperidine-3-carboxamide	(3S)-1-(6-amino-5-methylpyridine-3-sulfonyl)piperidine-3-carboxamide	XDS	99.90%	16.44	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	80.4	-		No	-		97.8	67.2	79.3		-
5spv	1.05 Å	2022-07-13	X-ray	S7O	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.80%	16.74%	8.30%	2-[methyl-[(9-oxidanylidene-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl)carbonyl]amino]ethanoic acid	2-[methyl-[(9-oxidanylidene-1$l^{4},7,8-triazabicyclo[4.3.0]nona-1(6),2,4-trien-3-yl)carbonyl]amino]ethanoic acid	XDS	99.90%	7.99	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	74.5	-		No	-		95.7	63.1	67.7		-
5spw	1.05 Å	2022-07-13	X-ray	S5O	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.60%	15.25%	3.80%	(1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid	(1R,5S,6R)-3-(7H-purin-6-yl)-3-azabicyclo[3.2.2]nonane-6-carboxylic acid	XDS	99.80%	19.65	ALS (8.3.1)	PHENIX	2022-06-09	36598939	-	-	-	-	N/A	-	-	Non-structural protein 3	68.7	-		No	-		98.0	46.2	68.6		-
7fb0	3.40 Å	2022-07-13	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-07-08	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7fb1	3.70 Å	2022-07-13	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-07-08	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7fb3	3.10 Å	2022-07-13	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-07-08	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7fb4	3.40 Å	2022-07-13	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2021-07-08	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7fbj	2.85 Å	2022-07-13	X-ray	NAG	SARS-CoV-2	Spike	Functional ligand	25.37%	30.04%	12.90%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	DIALS	99.80%	7.2	SSRF (BL18U1)	REFMAC	2021-07-11	35583124	-	-	-	-	N/A	-	-	New antigen receptor variable domain; Spike protein S1 - receptor binding domain	1.6	-		No	-		7.2	16.5	27.0		-
7fbk	1.90 Å	2022-07-13	X-ray	-	SARS-CoV-2	Spike	No functional ligands	19.69%	23.94%	7.30%		-	XDS	99.90%	16.5	SSRF (BL18U1)	REFMAC	2021-07-11	35583124	-	-	-	-	N/A	-	-	New antigen receptor variable domain; Spike protein S1 - receptor binding domain	17.7	-		No	-		45.4	18.8	45.0		-
7fc6	2.65 Å	2022-07-13	X-ray	NAG	SARS-CoV	Spike	PPI	18.49%	23.49%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.30%	16.7	SSRF (BL17U1)	PHENIX	2021-07-13	35917815	-	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme	40.3	-		No	-		50.2	81.3	24.9		-
7p19	3.24 Å	2022-07-13	X-ray	NAG	SARS-CoV-2	Spike	PPI	23.09%	28.85%	25.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	autoPROC	99.43%	7.4	ALBA (XALOC)	PHENIX	2021-07-01	36048155	ZN	-	-	-	N/A	-	-	Spike protein S1; Processed angiotensin-converting enzyme 2	29.0	-		No	-		10.5	58.9	64.4		-
7wjy	3.24 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-08	35768499	-	-	-	-	N/A	-	-	6m6 light chain; 6m6 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wjz	3.34 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-08	35768499	-	-	-	-	N/A	-	-	6m6 light chain; 6m6 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wk0	3.32 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-08	35768499	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; 6m6 heavy chain; 6m6 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7won	3.90 Å	2022-07-13	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-22	35260792	-	-	-	-	N/A	-	-	Spike protein S1; VacW-209 heavy chain; VacW-209 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7wp1	3.77 Å	2022-07-13	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-22	35260792	-	-	-	-	N/A	-	-	Spike protein S1; VacW-209 light chain; VacW-209 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7wp5	3.90 Å	2022-07-13	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-22	35260792	-	-	-	-	N/A	-	-	VacW-209 light chain; Spikeprotein S1; VacW-209 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7x6a	3.50 Å	2022-07-13	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-03-07	35714668	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of Fab BD55-5840; Light chain of Fab BD55-5840	N/A	-		No	-		N/A	N/A	N/A		-
7xiw	3.62 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-04-14	35714668	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xix	3.25 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-14	35714668	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xiy	3.07 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-14	35714668	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xiz	3.74 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-14	35714668	-	-	-	-	N/A	-	-	Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7xnq	3.52 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-29	35714668	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xnr	3.49 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-29	35714668	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xns	3.48 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-29	35714668	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7z6v	3.10 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-03-14	35858383	-	-	-	-	N/A	-	-	Nanobody H11; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7z7x	3.30 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-03-16	35858383	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin; Nanobody H11-H6	N/A	-		No	-		N/A	N/A	N/A		-
7z85	3.10 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-03-16	35858383	-	-	-	-	N/A	-	-	Nanobody H11-B5; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7z86	3.40 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-03-16	35858383	-	-	-	-	N/A	-	-	Nanobody H11-H4 Q98R H100E; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7z9q	3.60 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	31.25%	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	REFMAC	2022-03-21	35858383	-	-	-	-	N/A	-	-	Nanobody H11-A10; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7z9r	4.20 Å	2022-07-13	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-03-21	35858383	-	-	-	-	N/A	-	-	Nanobody H11-H4 Q98R H100E; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
8d4j	1.78 Å	2022-07-13	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	16.56%	20.92%	6.30%		-	HKL-2000	99.50%	24.2	APS (22-BM)	REFMAC	2022-06-02	36119652	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	69.9	-		No	-		74.7	53.7	87.0		-
8d4k	1.89 Å	2022-07-13	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.56%	22.36%	8.40%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-2000	98.60%	20.35	APS (22-ID)	REFMAC	2022-06-02	36119652	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	74.2	-		No	-		61.6	88.6	75.6		-
8d4l	1.70 Å	2022-07-13	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	17.10%	21.28%	5.50%		-	HKL-2000	96.69%	28.72	APS (22-ID)	REFMAC	2022-06-02	36119652	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	51.3	-		No	-		71.8	39.9	65.9		-
8d4m	1.81 Å	2022-07-13	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	17.17%	22.89%	7.40%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-2000	98.10%	21.77	APS (22-ID)	REFMAC	2022-06-02	36119652	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	66.4	-		No	-		56.3	78.7	72.9		-
8d4n	2.70 Å	2022-07-13	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.62%	25.82%	17.20%		-	HKL-2000	99.10%	9.13	APS (22-BM)	REFMAC	2022-06-02	36119652	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	56.1	-		No	-		28.0	73.6	85.1		-
8dcz	2.38 Å	2022-07-13	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.19%	25.13%	9.20%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	HKL-2000	98.60%	12.33	APS (22-ID)	REFMAC	2022-06-17	37637734	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	45.2	-		No	-		34.0	71.3	60.5		-
8dd1	2.03 Å	2022-07-13	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.32%	24.99%	7.80%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-2000	97.00%	22.18	APS (22-ID)	REFMAC	2022-06-17	37637734	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	61.5	-		No	-		35.4	73.6	88.6		-
8dd9	2.04 Å	2022-07-13	X-ray	B1S	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	16.52%	22.84%	9.70%	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-2000	96.90%	13.59	APS (22-ID)	REFMAC	2022-06-17	37637734	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	62.7	-		No	-		56.6	68.7	74.7		-
8dfe	1.89 Å	2022-07-13	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	20.84%	26.77%	7.10%		-	HKL-2000	94.00%	26.7	APS (22-ID)	REFMAC	2022-06-22	37637734	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	48.1	-		No	-		21.1	59.6	90.7		-
8dfn	2.04 Å	2022-07-13	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)	No functional ligands	19.09%	25.08%	8.70%		-	HKL-2000	98.60%	16.75	APS (22-ID)	REFMAC	2022-06-22	37637734	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	61.7	-		No	-		34.6	71.2	92.2		-
8dgb	2.87 Å	2022-07-13	X-ray	B1S	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.71%	27.22%	7.90%	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-2000	93.50%	9.03	APS (22-BM)	REFMAC	2022-06-23	37637734	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	56.4	-		No	-		18.3	93.3	75.9		-
7en8	1.83 Å	2022-07-20	X-ray	J7R	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.48%	27.37%	12.50%	~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide	~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide	CrysalisPro	99.27%	21.7	ROTATING ANODE ()	PHENIX	2021-04-16	36844503	-	-	-	-	N/A	-	-	3C-like proteinase	27.8	-		No	-		17.5	41.1	72.8		-
7en9	1.90 Å	2022-07-20	X-ray	J7O	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.52%	23.16%	13.39%	5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide	5-bromanyl-~{N}-methyl-3-nitro-2-[(4~{R},5~{S})-2-(7-oxidanylisoquinolin-4-yl)carbonyl-4-phenyl-2,7-diazaspiro[4.4]nonan-7-yl]benzamide	CrysalisPro	99.61%	18.24	ROTATING ANODE ()	PHENIX	2021-04-16	36844503	-	-	-	-	N/A	-	-	3C-like proteinase	47.6	-		No	-		53.5	42.8	74.2		-
7end	1.99 Å	2022-07-20	X-ray	J7R	SARS-CoV	NSP5 (3CLpro)	Functional ligand	19.74%	23.70%	12.36%	~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide	~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide	CrysalisPro	99.46%	33.16	ROTATING ANODE ()	PHENIX	2021-04-16	36844503	-	-	-	-	N/A	-	-	Replicase polyprotein 1a	66.4	-		No	-		47.7	78.7	81.5		-
7ene	2.98 Å	2022-07-20	X-ray	J7R	MERS-CoV	NSP5 (3CLpro)	Functional ligand	23.49%	27.45%	N/A	~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide	~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide	CrysalisPro	98.42%	10.58	ROTATING ANODE ()	PHENIX	2021-04-16	36844503	-	-	-	-	N/A	-	-	ORF1a protein - UNP residues 3248-3553	36.5	-		No	-		17.0	76.2	56.0		-
7p2o	-	2022-07-20	NMR	-	SARS-CoV-2	NSP3(Cleavage_domain)	No functional ligands	N/A	N/A	N/A		-		-	-	()		2021-07-06	-	-	-	-	-	N/A	-	-	Non-structural protein 3	N/A	-		No	-	-	N/A	N/A	N/A		-
7rvm	1.95 Å	2022-07-20	X-ray	7V2	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	20.55%	23.83%	N/A	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	iMOSFLM	97.40%	9.3	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	23.7	-		No	-		46.5	28.0	48.2		-
7rvn	1.63 Å	2022-07-20	X-ray	7VB	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.72%	21.24%	N/A	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide	iMOSFLM	95.80%	12.5	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	34.4	-		No	-		72.0	19.5	53.4		-
7rvo	1.80 Å	2022-07-20	X-ray	7VI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	24.44%	27.50%	N/A	N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	N-[(benzyloxy)carbonyl]-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	iMOSFLM	89.80%	3.5	ALS (5.0.2)	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	2.0	-		No	-		16.6	11.4	25.4		-
7rvp	1.90 Å	2022-07-20	X-ray	7VQ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.68%	27.36%	N/A	N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	N-[(benzyloxy)carbonyl]-L-valyl-3-furan-2-yl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	iMOSFLM	95.50%	5.9	ALS (5.0.2)	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	7.0	-		No	-		17.5	23.6	36.9		-
7rvq	2.48 Å	2022-07-20	X-ray	7VW	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.86%	32.22%	N/A	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	N-[(benzyloxy)carbonyl]-O-tert-butyl-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	PROTEUM PLUS	98.10%	3.5	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	6.2	-		No	-		4.8	31.1	39.0		-
7rvr	2.46 Å	2022-07-20	X-ray	7W5	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	25.29%	32.31%	N/A	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	PROTEUM PLUS	98.40%	8.0	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	3.8	-		No	-		4.8	18.9	40.4		-
7rvs	1.85 Å	2022-07-20	X-ray	81L	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.93%	22.65%	N/A	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	PROTEUM PLUS	99.90%	17.8	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	27.5	-		No	-		58.7	13.8	58.0		-
7rvt	2.10 Å	2022-07-20	X-ray	7XK	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	27.02%	30.76%	N/A	N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	N~2~-[(2S)-2-{[(benzyloxy)carbonyl]amino}-2-cyclopropylacetyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	iMOSFLM	95.80%	3.8	ALS (5.0.2)	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	1.2	-		No	-		6.2	11.8	28.9		-
7rvu	2.50 Å	2022-07-20	X-ray	7XT	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	25.15%	32.85%	N/A	N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	N-[(benzyloxy)carbonyl]-3-methyl-L-isovalyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	iMOSFLM	98.90%	2.1	ALS (5.0.2)	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	2.1	-		No	-		4.5	25.0	24.6		-
7rvv	3.00 Å	2022-07-20	X-ray	7Y2	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	34.14%	42.79%	N/A	N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	N-[(benzyloxy)carbonyl]-2-methyl-L-alanyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	PROTEUM PLUS	93.20%	6.1	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	0.8	-		No	-		3.4	23.9	15.4		-
7rvw	1.85 Å	2022-07-20	X-ray	7YB	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	18.98%	21.75%	N/A	benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate	benzyl (1-{[(2S)-3-cyclohexyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamoyl}cyclopropyl)carbamate	PROTEUM PLUS	99.90%	13.3	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	37.6	-		No	-		67.5	22.0	61.7		-
7rvx	1.85 Å	2022-07-20	X-ray	7YI	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.53%	26.51%	N/A	benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate	benzyl [(1S)-1-cyclopropyl-2-{[(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]amino}-2-oxoethyl]carbamate	iMOSFLM	89.10%	7.6	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	7.4	-		No	-		22.8	17.1	39.5		-
7rvy	1.85 Å	2022-07-20	X-ray	7YQ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	23.09%	26.80%	N/A	O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	PROTEUM PLUS	92.60%	12.2	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	7.1	-		No	-		20.8	19.6	38.0		-
7rvz	1.90 Å	2022-07-20	X-ray	7YW	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	19.11%	21.99%	N/A	O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	O-tert-butyl-N-{[(3-chlorophenyl)methoxy]carbonyl}-L-threonyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	iMOSFLM	96.10%	8.7	ALS (5.0.2)	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	37.0	-		No	-		65.3	26.0	58.8		-
7rw0	1.85 Å	2022-07-20	X-ray	7YZ	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	22.20%	25.34%	N/A	N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	N-{[(3-chlorophenyl)methoxy]carbonyl}-L-valyl-3-cyclohexyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	PROTEUM PLUS	99.80%	8.8	ROTATING ANODE ()	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	11.4	-		No	-		32.2	18.9	41.7		-
7rw1	2.50 Å	2022-07-20	X-ray	800	SARS-CoV-2	NSP5 (3CLpro)	Functional ligand	25.66%	31.60%	N/A	N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N-(1H-indole-2-carbonyl)-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	iMOSFLM	97.10%	4.7	ALS (5.0.2)	PHENIX	2021-08-19	35779291	-	-	-	-	N/A	-	-	3C-like proteinase	15.2	-		No	-		5.3	73.4	24.4		-
7vq0	3.03 Å	2022-07-20	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-10-18	35794202	-	-	-	-	N/A	-	-	Spike glycoprotein; Neutralizing nanobody P86	N/A	-		No	-		N/A	N/A	N/A		-
7wo4	4.47 Å	2022-07-20	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-20	35924918	-	-	-	-	N/A	-	-	Spike glycoprotein; mAb15 VH; mAb15 VL	N/A	-		No	-		N/A	N/A	N/A		-
7wo5	3.45 Å	2022-07-20	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-20	35924918	-	-	-	-	N/A	-	-	mAb15 VL; Spike glycoprotein; mAb15 VH	N/A	-		No	-		N/A	N/A	N/A		-
7wo7	3.80 Å	2022-07-20	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-20	35924918	-	-	-	-	N/A	-	-	mAb15 VL; mAb15 VH; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7woa	3.25 Å	2022-07-20	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-21	35924918	-	-	-	-	N/A	-	-	mAb60 VH; Spike glycoprotein; mAb60 VL	N/A	-		No	-		N/A	N/A	N/A		-
7wob	3.25 Å	2022-07-20	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-21	35924918	-	-	-	-	N/A	-	-	mAb60 VH; Spike glycoprotein; mAb60 VL	N/A	-		No	-		N/A	N/A	N/A		-
7woc	3.35 Å	2022-07-20	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-21	35924918	-	-	-	-	N/A	-	-	Spike protein S1; mAb60 VH; mAb60 VL	N/A	-		No	-		N/A	N/A	N/A		-
7wog	4.06 Å	2022-07-20	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-21	35924918	-	-	-	-	N/A	-	-	553-49 VL; Spike protein S1 - RBD; 553-49 VH	N/A	-		No	-		N/A	N/A	N/A		-
7wp0	3.71 Å	2022-07-20	Cryo-EM	NAG	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-22	35260792	-	-	-	-	N/A	-	-	Spike protein S1; IG c335_light_IGLV1-40_IGLJ3; VacW-209 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7wp2	3.52 Å	2022-07-20	Cryo-EM	-	SARS-CoV-2	Spike	PPI	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-22	35260792	-	-	-	-	N/A	-	-	Spike protein S1; VacW-209 light chain; VacW-209 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7wz2	2.70 Å	2022-07-20	Cryo-EM	NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-16	35924918	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xtz	2.80 Å	2022-07-20	Cryo-EM	NAG, BLA, EIC	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA; LINOLEIC ACID		-	-	()	PHENIX	2022-05-18	35905112	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xu0	2.90 Å	2022-07-20	Cryo-EM	NAG, BLA, EIC	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	BILIVERDINE IX ALPHA; LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA; LINOLEIC ACID		-	-	()	PHENIX	2022-05-18	35905112	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xu1	3.00 Å	2022-07-20	Cryo-EM	BLA, EIC, NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA; LINOLEIC ACID	BILIVERDINE IX ALPHA; LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-18	35905112	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xu2	3.20 Å	2022-07-20	Cryo-EM	NAG, EIC, BLA	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	BILIVERDINE IX ALPHA; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID; BILIVERDINE IX ALPHA		-	-	()	PHENIX	2022-05-18	35905112	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xu3	3.00 Å	2022-07-20	Cryo-EM	NAG, BLA	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	BILIVERDINE IX ALPHA	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA		-	-	()	PHENIX	2022-05-18	35905112	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xu4	3.20 Å	2022-07-20	Cryo-EM	EIC, NAG, BLA	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA; LINOLEIC ACID	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA		-	-	()	PHENIX	2022-05-18	35905112	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xu5	3.10 Å	2022-07-20	Cryo-EM	NAG, BLA	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	BILIVERDINE IX ALPHA	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA		-	-	()	PHENIX	2022-05-18	35905112	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xu6	2.90 Å	2022-07-20	Cryo-EM	BLA, NAG	SARS-CoV-2	Spike	Functional ligand	N/A	N/A	N/A	BILIVERDINE IX ALPHA; 2-acetamido-2-deoxy-beta-D-glucopyranose	BILIVERDINE IX ALPHA; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-18	35905112	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8csa	3.84 Å	2022-07-20	Cryo-EM	-	SARS-CoV-2	Spike	No functional ligands	N/A	N/A	N/A		-		-	-	()	PHENIX	2022-05-12	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7p5g	-	2022-07-27	NMR	-	SARS-CoV-2	Spike		N/A	N/A	N/A	Spike glycoprotein	-		-	-	()		2021-07-14	36406731	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7p5q	-	2022-07-27	NMR	-	SARS-CoV-2	Spike		N/A	N/A	N/A	Spike glycoprotein	-		-	-	()		2021-07-14	36406731	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7p5s	-	2022-07-27	NMR	-	SARS-CoV-2	Spike		N/A	N/A	N/A	Spike glycoprotein	-		-	-	()		2021-07-14	36406731	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7s6w	2.29 Å	2022-07-27	X-ray	8G9	SARS-CoV-2	NSP5 (3CLpro)		19.86%	24.18%	N/A	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	PROTEUM PLUS	98.70%	9.8	ROTATING ANODE ()	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	17.0	-		No	-		43.3	19.1	45.2		-
7s6x	1.80 Å	2022-07-27	X-ray	I70	SARS-CoV-2	NSP5 (3CLpro)		18.78%	20.69%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	iMOSFLM	95.50%	12.4	ALS (5.0.2)	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	40.6	-		No	-		76.7	36.8	43.6		-
7s6y	1.85 Å	2022-07-27	X-ray	8GW	SARS-CoV-2	NSP5 (3CLpro)		22.90%	25.80%	N/A	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	PROTEUM PLUS	99.90%	12.3	ROTATING ANODE ()	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	15.1	-		No	-		28.1	17.2	57.6		-
7s6z	1.85 Å	2022-07-27	X-ray	I71	SARS-CoV-2	NSP5 (3CLpro)		20.18%	22.15%	N/A	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	PROTEUM PLUS	99.90%	19.4	ROTATING ANODE ()	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	34.7	-		No	-		63.7	16.3	65.4		-
7s70	2.60 Å	2022-07-27	X-ray	8H3	SARS-CoV-2	NSP5 (3CLpro)		24.89%	32.24%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	iMOSFLM	99.90%	4.6	ALS (5.0.2)	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	0.8	-		No	-		4.8	14.3	24.0		-
7s71	1.85 Å	2022-07-27	X-ray	8H9	SARS-CoV-2	NSP5 (3CLpro)		19.45%	21.86%	N/A	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	PROTEUM PLUS	100.00%	16.3	ROTATING ANODE ()	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	32.2	-		No	-		66.5	16.3	57.6		-
7s72	2.50 Å	2022-07-27	X-ray	8I0	SARS-CoV-2	NSP5 (3CLpro)		24.11%	29.58%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-4-(benzylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	iMOSFLM	99.40%	2.7	ALS (5.0.2)	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	1.3	-		No	-		8.3	16.9	22.6		-
7s73	1.85 Å	2022-07-27	X-ray	I69	SARS-CoV-2	NSP5 (3CLpro)		20.58%	23.81%	N/A	(6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name)	(6S)-5-{(2S)-2-[(tert-butylcarbamoyl)amino]-3,3-dimethylbutanoyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-5-azaspiro[2.4]heptane-6-carboxamide (non-preferred name)	PROTEUM PLUS	99.60%	18.4	ROTATING ANODE ()	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	14.1	-		No	-		46.7	15.6	38.2		-
7s74	1.70 Å	2022-07-27	X-ray	I68	SARS-CoV-2	NSP5 (3CLpro)		25.07%	27.22%	N/A	N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide	iMOSFLM	96.30%	3.5	ALS (5.0.2)	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	8.2	-		No	-		18.3	30.7	33.4		-
7s75	1.80 Å	2022-07-27	X-ray	8I7	SARS-CoV-2	NSP5 (3CLpro)		26.96%	30.86%	N/A	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(3-methylbutanoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	PROTEUM PLUS	99.00%	12.0	ROTATING ANODE ()	PHENIX	2021-09-15	35839690	-	-	-	-	N/A	-	-	3C-like proteinase	5.4	-		No	-		6.1	13.5	52.0		-
7wz1	3.40 Å	2022-07-27	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-16	35924918	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7fh0	3.20 Å	2022-08-03	X-ray	NAG	SARS-CoV-2	Spike		20.75%	26.28%	15.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	20.3	SSRF (BL17U1)	REFMAC	2021-07-28	35906408	-	-	-	-	N/A	-	-	nanobodies aRBD-2-7; Spike protein S1,Spike protein S1	25.9	-		No	-		24.7	37.0	65.7		-
7p8i	4.50 Å	2022-08-03	X-ray	NAG	Bat-CoV-RaTG13	Spike		27.77%	29.44%	27.80%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.40%	3.9	ESRF (ID23-1)	PHENIX	2021-07-22	-	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	-	-		No	-	-	8.7	-	46.7		-
7p8j	6.58 Å	2022-08-03	X-ray	-	Bat-CoV-RaTG13	Spike		31.79%	34.50%	45.90%		-	xia2	99.70%	2.8	ESRF (ID23-1)	PHENIX	2021-07-22	-	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	-	-		No	-	-	3.9	-	42.5		-
7qti	3.04 Å	2022-08-03	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-14	35879526	-	-	-	-	N/A	-	-	P5C3 Heavy Chain; P2G3 Light Chain; Spike glycoprotein,Envelope glycoprotein; P5C3 Light Chain; P2G3 Heavy Chain	N/A	-		No	-		N/A	N/A	N/A		-
7qtj	4.01 Å	2022-08-03	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-14	35879526	-	-	-	-	N/A	-	-	P2G3 Heavy Chain; Surface glycoprotein; P5C3 Heavy Chain; P5C3 Light Chain; P2G3 Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7qtk	3.84 Å	2022-08-03	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-14	35879526	-	-	-	-	N/A	-	-	P2G3 Light Chain; Surface glycoprotein; P2G3 Heavy Chain	N/A	-		No	-		N/A	N/A	N/A		-
7t7b	2.59 Å	2022-08-03	X-ray	-	SARS-CoV-2	Spike		22.09%	26.68%	23.70%		-	HKL-3000	99.20%	5.7	SSRL (BL12-1)	PHENIX	2021-12-14	35906394	-	-	-	-	N/A	-	-	ADI-62113 Fab heavy chain; ADI-62113 Fab light chain; Spike protein S1 - Receptor binding domain, UNP residues 333-530	34.3	-		No	-		21.8	63.0	59.8		-
7tuu	1.85 Å	2022-08-03	X-ray	U88	SARS-CoV-2	NSP5 (3CLpro)		24.93%	27.19%	N/A	5-nitro-1,3-thiazole	5-nitro-1,3-thiazole	PROTEUM PLUS	99.40%	13.0	ROTATING ANODE ()	PHENIX	2022-02-03	35815070	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	10.7	-		No	-		18.5	13.2	58.8		-
7vgr	2.70 Å	2022-08-03	Cryo-EM	-	SARS-CoV-2	Membrane_glycoprotein		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-09-18	35931673	-	-	-	-	N/A	-	-	YN7756_1 Fab heavy chain; Membrane protein; YN7756_1 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7vgs	2.80 Å	2022-08-03	Cryo-EM	-	SARS-CoV-2	Membrane_glycoprotein		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-09-18	35931673	-	-	-	-	N/A	-	-	YN7717_9 Fab light chain; Membrane protein; YN7717_9 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7w6m	4.70 Å	2022-08-03	Cryo-EM	NAG	PEDV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-12-02	35986008	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7w73	6.40 Å	2022-08-03	Cryo-EM	NAG	PEDV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2021-12-03	35986008	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7y6s	3.10 Å	2022-08-03	Cryo-EM	NAG	PEDV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-06-21	35986008	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7y6t	4.20 Å	2022-08-03	Cryo-EM	NAG	PEDV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-06-21	35986008	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7y6u	3.20 Å	2022-08-03	Cryo-EM	NAG	PEDV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-06-21	35986008	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7y6v	3.30 Å	2022-08-03	Cryo-EM	NAG	PEDV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-06-21	35986008	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8df5	2.70 Å	2022-08-03	X-ray	NAG	SARS-CoV-2	Spike		17.74%	21.71%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	90.80%	12.3	SSRL (BL9-2)	PHENIX	2022-06-21	35762884	ZN	-	-	-	N/A	-	-	S309 Fab Light Chain; S309 Fab Heavy Chain; Spike protein S1; S304 Fab Light Chain; S304 Fab Heavy Chain; Angiotensin-converting enzyme 2	71.7	-		No	-		67.8	82.1	69.7		-
8dt3	3.30 Å	2022-08-03	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-07-25	35926067	-	-	-	-	N/A	-	-	Light chain Fab of SW186; Spike glycoprotein; Heavy chain Fab of SW186	N/A	-		No	-		N/A	N/A	N/A		-
7fa1	1.60 Å	2022-08-10	X-ray	-	SARS-CoV	NSP2		18.79%	22.15%	7.30%		-	HKL-2000	98.70%	12.0	SSRF, Photon Factory (BL17U, BL-17A)	PHENIX	2021-07-05	-	ZN	-	-	-	N/A	-	-	Non-structural protein 2 - nsp2N	66.0	-		No	-	-	63.7	52.4	90.7		-
7fac	2.71 Å	2022-08-10	X-ray	-	SARS-CoV	NSP2		19.72%	25.70%	13.10%		-	HKL-2000	99.50%	8.7	Photon Factory (BL-17A)	PHENIX	2021-07-06	-	ZN	-	-	-	N/A	-	-	Non-structural protein 2 - nsp2C	3.9	-		No	-	-	29.0	19.6	16.0		-
7fjc	2.96 Å	2022-08-10	X-ray	-	SARS-CoV-2	Spike		21.16%	26.91%	N/A		-	HKL-2000	94.71%	11.1	SSRF (BL18U1)	PHENIX	2021-08-03	-	-	-	-	-	N/A	-	-	P36-5D2 light chain; P36-5D2 heavy chain; Spike protein S1	12.6	-		No	-	-	20.1	64.1	12.1		-
7str	1.50 Å	2022-08-10	X-ray	-	SARS-CoV-2	Nucleocapsid		16.14%	20.18%	7.60%		-	HKL-3000	97.40%	24.6	APS (19-ID)	PHENIX	2021-11-15	-	-	-	-	-	N/A	-	-	Fab S24-1063, Heavy chain; Nucleoprotein - N-terminal RNA binding domain, residues 47-173; Fab S24-1063, Light chain	65.3	-		No	-	-	80.5	34.7	90.2		-
7sts	2.16 Å	2022-08-10	X-ray	-	SARS-CoV-2	Nucleocapsid		18.98%	20.86%	8.80%		-	HKL-3000; xia2	100.00%	17.5	APS (19-ID)	PHENIX	2021-11-15	-	-	-	-	-	N/A	-	-	Fab S24-1379, heavy chain; Fab S24-1379, light chain; Nucleoprotein - N-terminal RNA binding domain, residues 47-173	56.1	-		No	-	-	75.2	55.7	56.0		-
7sue	2.90 Å	2022-08-10	X-ray	-	SARS-CoV-2	Nucleocapsid		26.17%	29.19%	8.50%		-	xia2	91.60%	8.6	APS (19-ID)	PHENIX	2021-11-17	-	-	-	-	-	N/A	-	-	Nucleoprotein - N-terminal RNA binding domain, residues 47-173; S24-188 Fab Light chain; S24-188 Fab Heavy chain	15.1	-		No	-	-	9.4	40.0	53.5		-
7u0p	3.76 Å	2022-08-10	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-18	36197988	-	-	-	-	N/A	-	-	mAb 002_S21F2 light chain; mAb 002-S21F2 Heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7upl	4.10 Å	2022-08-10	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-15	36197988	-	-	-	-	N/A	-	-	Spike glycoprotein; mAb 002-S21F2 heavy chain; mAB 002-S21F2 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7upw	2.70 Å	2022-08-10	Cryo-EM	NAG	SARS-CoV-2	Spike		42.23%	42.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-18	35951767	-	-	-	-	N/A	-	-	Spike glycoprotein; SP1-77 Fab light chain; SP1-77 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7upx	3.20 Å	2022-08-10	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-04-18	35951767	-	-	-	-	N/A	-	-	Spike glycoprotein; SP1-77 Fab light chain; SP1-77 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7upy	3.10 Å	2022-08-10	Cryo-EM	NAG	SARS-CoV-2	Spike		42.23%	42.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-18	-	-	-	-	-	N/A	-	-	Spike glycoprotein; SP1-77 Fab heavy chain; SP1-77 Fab light chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7v1t	2.56 Å	2022-08-10	X-ray	5IL	SARS-CoV-2	NSP5 (3CLpro)		18.60%	24.50%	9.10%	5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide	5,8-bis(oxidanylidene)-7-[(2-piperazin-1-ylphenyl)amino]naphthalene-1-sulfonamide	HKL-2000	99.20%	14.3	SSRF (BL19U1)	PHENIX	2021-08-06	-	-	-	-	-	N/A	-	-	3C-like proteinase	47.2	-		No	-	-	40.0	78.7	51.0		-
7v20	2.86 Å	2022-08-10	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-07	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v22	3.38 Å	2022-08-10	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-08-07	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7v23	2.96 Å	2022-08-10	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-07	-	-	-	-	-	N/A	-	-	Spike glycoprotein; the heavy chain of N12-9 Fab; the light chain of N12-9 Fab	N/A	-		No	-	-	N/A	N/A	N/A		-
7v24	3.29 Å	2022-08-10	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-08-07	-	-	-	-	-	N/A	-	-	Spike glycoprotein; the heavy chain of N12-9 Fab; the lignt chain of N12-9 Fab	N/A	-		No	-	-	N/A	N/A	N/A		-
7v27	4.18 Å	2022-08-10	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-07	-	-	-	-	-	N/A	-	-	Spike protein S1; XG005-VL; XG005-VH	N/A	-		No	-	-	N/A	N/A	N/A		-
7voa	1.80 Å	2022-08-10	X-ray	NAG	SARS-CoV-2	Spike		18.63%	22.62%	10.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	97.80%	13.34	APS (21-ID-D)	PHENIX	2021-10-13	35906408	-	-	-	-	N/A	-	-	alpaca nanobody; Spike glycoprotein - UNP residues 321-528	33.3	-		No	-		58.9	23.5	60.2		-
7wcd	3.30 Å	2022-08-10	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-19	35931732	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain; Light chain	N/A	-		No	-		N/A	N/A	N/A		-
7v3l	3.47 Å	2022-08-17	Cryo-EM	-	MERS-CoV	Spike		N/A	N/A	N/A		-		-	-	()		2021-08-10	-	-	-	-	-	N/A	-	-	Spike glycoprotein; antibody L; antibody H	N/A	-		No	-	-	N/A	N/A	N/A		-
7w8s	2.85 Å	2022-08-17	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-08	36000849	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1 - Y453F	N/A	-		No	-		N/A	N/A	N/A		-
7wa1	2.90 Å	2022-08-17	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-11	36000849	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7wm0	3.35 Å	2022-08-17	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-14	-	-	-	-	-	N/A	-	-	Heavy chain of 35B5 Fab; Light chain of 35B5 Fab; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7x7t	3.48 Å	2022-08-17	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-10	35972965	-	-	-	-	N/A	-	-	X01 light chain; X01 heavy chain; X17 heavy chain; X17 light chain; X10 heavy chain; X10 light chain; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7x7u	3.77 Å	2022-08-17	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-03-10	35972965	-	-	-	-	N/A	-	-	X10 light chain; Spike protein S1; X01 heavy chain; X01 light chain; X17 heavy chain; X17 light chain; X10 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7x7v	3.83 Å	2022-08-17	Cryo-EM	-	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	-		-	-	()		2022-03-10	35972965	-	-	-	-	N/A	-	-	X01 heavy chain; Spike protein S1; X10 light chain; X10 heavy chain; X17 light chain; X17 heavy chain; X01 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7y96	3.42 Å	2022-08-17	X-ray	-	SARS-CoV-2	Membrane_glycoprotein		23.97%	26.46%	15.00%		-	XDS	93.10%	8.9	SSRF (BL18U1)	PHENIX	2022-06-24	36874273	-	-	-	-	N/A	-	-	Green fluorescent protein,Membrane protein - carboxy-terminal domain	24.6	-		No	-		23.3	67.1	34.3		-
7y9b	3.21 Å	2022-08-17	X-ray	N8E	SARS-CoV-2	Membrane_glycoprotein		27.09%	29.31%	14.70%	3,6,9,12,15-PENTAOXATRICOSAN-1-OL	3,6,9,12,15-PENTAOXATRICOSAN-1-OL	XDS	94.10%	6.9	SSRF (BL18U1)	PHENIX	2022-06-24	36874273	-	-	-	-	N/A	-	-	Membrane protein	34.4	-		No	-		9.0	78.2	57.6		-
7y9n	1.89 Å	2022-08-17	X-ray	-	SARS-CoV-2	Spike		19.99%	21.24%	10.20%	SARS-coV-2 S2 subunit	-	HKL-2000	99.60%	26.444	SSRF (BL19U1)	PHENIX	2022-06-25	35757908	-	-	-	-	N/A	-	-	Spike protein S2',5HB-H2; SARS-coV-2 S2 subunit - HR2 domain	42.4	-		No	-		72.0	19.9	68.6		-
7zbu	4.31 Å	2022-08-17	Cryo-EM	3Q9, NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose	3-[5-[(4-ethyl-3-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-2-[[5-[(3-ethyl-4-methyl-5-oxidanylidene-pyrrol-2-yl)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-24	35981534	-	-	-	-	N/A	-	-	P008_60 antibody, Heavy chain; P008_60 antibody, Light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7pfl	1.80 Å	2022-08-24	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		17.22%	21.92%	9.70%	SODIUM ION	SODIUM ION	XDS	97.30%	7.2	MAX IV (BioMAX)	PHENIX	2021-08-11	-	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	71.5	-		No	-	-	65.8	64.3	89.1		-
7pfm	2.00 Å	2022-08-24	X-ray	7IL	SARS-CoV-2	NSP5 (3CLpro)		18.08%	22.00%	9.50%	N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide	N-[(1R)-2-(tert-butylamino)-2-oxidanylidene-1-pyridin-3-yl-ethyl]-N-(4-tert-butylphenyl)-1H-imidazole-5-carboxamide	XDS	99.90%	9.7	MAX IV (BioMAX)	PHENIX	2021-08-11	-	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	74.1	-		No	-	-	65.0	76.2	84.5		-
7ru1	2.80 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-16	35971553	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ru2	3.00 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-16	35971553	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ru3	3.30 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-16	35971553	-	-	-	-	N/A	-	-	Spike glycoprotein; CC6.33 IgG heavy chain Fv; CC6.33 IgG Kappa chain Fv	N/A	-		No	-		N/A	N/A	N/A		-
7ru4	3.30 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-16	35971553	-	-	-	-	N/A	-	-	CC6.33 IgG kappa chain Fv; Spike glycoprotein; CC6.33 IgG heavy chain Fv	N/A	-		No	-		N/A	N/A	N/A		-
7ru5	3.60 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-16	35971553	-	-	-	-	N/A	-	-	Spike glycoprotein; CC6.30 Fab heavy chain Fv; CC6.30 Fab kappa chain Fv	N/A	-		No	-		N/A	N/A	N/A		-
7ru8	3.80 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-08-16	35971553	-	-	-	-	N/A	-	-	CC6.30 Fab Kappa chain Fv; CC6.30 Fab heavy chain Fv; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7t3m	3.00 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-08	36192374	-	-	-	-	N/A	-	-	Antibody 2-7 scFv, variable heavy chain VH; Spike glycoprotein; Antibody 2-7 scFv, variable light chain VL	N/A	-		No	-		N/A	N/A	N/A		-
7t67	3.00 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-13	36192374	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7us6	3.80 Å	2022-08-24	Cryo-EM	NAG	CCoV-HuPn-2018	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-04-23	35700730	-	-	-	-	N/A	-	-	Spike glycoprotein - CCoV-HuPn-2018_ Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7usa	2.80 Å	2022-08-24	Cryo-EM	NAG	CCoV-HuPn-2018	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-04-23	35700730	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7v5k	2.80 Å	2022-08-24	Cryo-EM	-	MERS-CoV	Spike		N/A	N/A	N/A		-		-	-	()		2021-08-17	-	-	-	-	-	N/A	-	-	0722 L; Spike glycoprotein; 0722 H	N/A	-		No	-	-	N/A	N/A	N/A		-
7vvp	1.97 Å	2022-08-24	X-ray	80I	SARS-CoV-2	NSP5 (3CLpro)		20.63%	24.93%	7.00%	[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate	[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate	XDS	93.90%	20.6	SSRF (BL02U1)	PHENIX	2021-11-07	-	-	-	-	-	N/A	-	-	3C-like proteinase	30.5	-		No	-	-	42.8	38.8	55.3		-
7wqh	2.32 Å	2022-08-24	X-ray	80I	HCoV-NL63	NSP5 (3CLpro)		20.39%	26.46%	5.40%	[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate	[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate	XDS	93.40%	7.9	SSRF (BL10U2)	PHENIX	2022-01-25	-	-	-	-	-	N/A	-	-	3C-like proteinase	47.1	-		No	-	-	23.3	80.8	65.5		-
7wqj	2.75 Å	2022-08-24	X-ray	80I	MERS-CoV	NSP5 (3CLpro)		22.43%	28.98%	7.40%	[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate	[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate	XDS	98.50%	9.2	SSRF (BL02U1)	PHENIX	2022-01-25	-	-	-	-	-	N/A	-	-	3C-like proteinase	16.4	-		No	-	-	10.1	68.4	27.6		-
7ydi	3.98 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-04	36151403	ZN	-	-	-	N/A	-	-	Light chain of R1-32; Processed angiotensin-converting enzyme 2; Spike protein S1 - Spike protomer RBD domain; Heavy chain of R1-32	N/A	-		No	-		N/A	N/A	N/A		-
7ydy	4.75 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-04	36151403	-	-	-	-	N/A	-	-	Light chain of R1-32 Fab; Heavy chain of R1-32 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ye5	6.75 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-05	36151403	-	-	-	-	N/A	-	-	Spike glycoprotein; Light chain of R1-32 Fab; Heavy chain of R1-32 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7ye9	4.17 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-05	36151403	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of R1-32 Fab; Light chain of R1-32 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7yeg	3.73 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-05	36151403	ZN	-	-	-	N/A	-	-	heavy chain of R1-32 Fab; light chain of R1-32 Fab; Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dad	3.85 Å	2022-08-24	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-06-13	-	-	-	-	-	N/A	-	-	AZ090 Fab Heavy Chain; AZ090 Fab Light Chain; Spike glycoprotein - Spike 6P	N/A	-		No	-	-	N/A	N/A	N/A		-
8di5	3.04 Å	2022-08-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-06-28	35875685	-	-	-	-	N/A	-	-	VH F6; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8doy	1.59 Å	2022-08-24	X-ray	PG0, MES, 1PE, T1X	SARS-CoV-2	NSP5 (3CLpro)		19.73%	24.57%	N/A		2-(2-METHOXYETHOXY)ETHANOL; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID; PENTAETHYLENE GLYCOL; 7-fluoro-N-[(2S)-1-({(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	DIALS	91.04%	5.59	SPring-8 (BL41XU)	REFMAC	2022-07-14	36338434	-	-	-	-	N/A	-	-	3C-like proteinase nsp5 - UNP residues 3264-3564	38.2	-		No	-		39.6	50.1	62.7		-
8dpr	2.00 Å	2022-08-24	X-ray	T43	SARS-CoV-2	NSP5 (3CLpro)		18.97%	24.72%	N/A		2,2,2-trifluoro-N-{(2S)-1-[(1R,2S,5S)-2-({(2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamothioyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl]-3,3-dimethyl-1-oxobutan-2-yl}acetamide	xia2	99.90%	9.16	SPring-8 (BL41XU)	REFMAC	2022-07-16	36841831	ZN	-	-	-	N/A	-	-	3C-like proteinase nsp5 - UNP residues 3264-3565	50.3	-		No	-		37.9	83.5	54.2		-
8dz9	1.66 Å	2022-08-24	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		20.77%	25.06%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	46.10%	3.7	LNLS SIRUS (MANACA)	REFMAC	2022-08-06	36775130	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	36.9	-		No	-		34.7	89.9	25.4		-
8e1y	2.48 Å	2022-08-24	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		21.66%	27.23%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	59.50%	3.9	LNLS SIRUS (MANACA)	REFMAC	2022-08-11	36775130	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	26.2	-		No	-		18.2	61.8	47.8		-
7vbd	1.94 Å	2022-08-31	X-ray	-	SARS-CoV-2	Nucleocapsid		22.26%	26.23%	33.00%		-	XDS	99.30%	16.1	SSRF (BL17U1)	PHENIX	2021-08-31	-	-	-	-	-	N/A	-	-	Nucleoprotein - N-terminal domain	24.0	-		No	-	-	24.9	19.6	78.8		-
7wbz	2.42 Å	2022-08-31	X-ray	NAG	SARS-CoV-2	Spike		18.21%	22.01%	19.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.90%	2.6	SSRF (BL18U1)	PHENIX	2021-12-17	35931732	-	-	-	-	N/A	-	-	2303 heavy chain; Spike protein S1 - receptor binding domain; 2303 light chain	67.9	-		No	-		64.9	60.8	85.4		-
7xch	3.40 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-24	-	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7xci	3.20 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-24	-	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein - UNP residues 333-527	N/A	-		No	-	-	N/A	N/A	N/A		-
7xck	2.50 Å	2022-08-31	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-03-24	-	-	-	-	-	N/A	-	-	Spike protein S1 - UNP residues 322-590; S309 heavy chain; S309 light chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7xcp	3.05 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-24	-	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Heavy chain of 304 Fab; Lignt chain of 304 Fab; Spike protein S1 - UNP residues 333-527	N/A	-		No	-	-	N/A	N/A	N/A		-
7y9s	3.00 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-26	36002453	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ya1	3.11 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-27	36002453	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7yad	2.66 Å	2022-08-31	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-06-27	36002453	-	-	-	-	N/A	-	-	S309 neutralizing antibody heavy chain; S309 neutralizing antibody light chain; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
8ddi	2.80 Å	2022-08-31	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		17.80%	24.68%	11.60%		-	HKL-2000	98.20%	12.18	APS (22-BM)	REFMAC	2022-06-18	37651467	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	60.4	-		No	-		38.5	93.3	63.5		-
8ddm	2.78 Å	2022-08-31	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)		19.07%	24.55%	9.80%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-2000	97.70%	13.22	APS (22-BM)	REFMAC	2022-06-18	37651467	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	40.1	-		No	-		39.7	68.7	47.7		-
8dli	2.56 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dlj	2.91 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dlk	3.04 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dll	2.56 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dlm	2.89 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	35982054	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dln	3.04 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dlo	2.25 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dlp	2.64 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dlq	2.77 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dlr	2.51 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; Fab 4-8 heavy chain; Fab 4-8 light chain	N/A	-		No	-		N/A	N/A	N/A		-
8dls	2.66 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Fab 4A8 light chain; Fab 4A8 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dlt	2.40 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dlu	3.14 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dlv	3.11 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dlw	2.16 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Fab S2M11 light chain; Fab S2M11 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dlx	2.45 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; VH ab6	N/A	-		No	-		N/A	N/A	N/A		-
8dly	3.00 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	35982054	-	-	-	-	N/A	-	-	VH ab6; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dlz	2.57 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	35982054	-	-	-	-	N/A	-	-	VH ab6; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dm0	3.21 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	35982054	-	-	-	-	N/A	-	-	Spike glycoprotein; VH ab6	N/A	-		No	-		N/A	N/A	N/A		-
8dv1	3.40 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-27	36805129	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion,Immunoglobulin gamma-1 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8dv2	3.50 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-27	36805129	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2,Immunoglobulin gamma-1 heavy chain fusion	N/A	-		No	-		N/A	N/A	N/A		-
8dzh	3.20 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-07	37518189	-	-	-	-	N/A	-	-	Spike glycoprotein; antibody MB.02 light chain - Fab variable domain; antibody MB.02 heavy chain - Fab variable domain	N/A	-		No	-		N/A	N/A	N/A		-
8dzi	3.50 Å	2022-08-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-07	37518189	-	-	-	-	N/A	-	-	Spike glycoprotein; antibody MB.02 light chain - Fab variable domain; antibody MB.02 heavy chain - Fab variable domain	N/A	-		No	-		N/A	N/A	N/A		-
7phz	1.66 Å	2022-09-07	X-ray	X77, NA	SARS-CoV-2	NSP5 (3CLpro)		16.12%	18.15%	8.30%	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide; SODIUM ION	N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide; SODIUM ION	XDS	100.00%	15.8	ELETTRA (11.2C)	PHENIX; PHENIX	2021-08-19	-	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	79.3	-		No	-	-	91.6	64.4	84.4		-
7tw7	1.62 Å	2022-09-07	X-ray	SAM	SARS-CoV-2	NSP14		17.89%	21.79%	7.00%	S-ADENOSYLMETHIONINE	S-ADENOSYLMETHIONINE	DIALS	90.00%	12.4	NSLS-II (17-ID-2)	PHENIX	2022-02-06	36075969	ZN	-	-	-	N/A	-	-	Transcription factor ETV6,Proofreading exoribonuclease nsp14 chimera	71.6	-		No	-		67.2	87.2	65.0		-
7tw8	1.55 Å	2022-09-07	X-ray	SAH	SARS-CoV-2	NSP14		17.60%	20.56%	6.80%	S-ADENOSYL-L-HOMOCYSTEINE	S-ADENOSYL-L-HOMOCYSTEINE	DIALS	95.40%	13.4	NSLS-II (17-ID-2)	PHENIX	2022-02-06	36075969	ZN	-	-	-	N/A	-	-	Transcription factor ETV6,Proofreading exoribonuclease nsp14 chimera	72.3	-		No	-		77.7	59.6	83.8		-
7tw9	1.41 Å	2022-09-07	X-ray	SFG, EOH, MOH	SARS-CoV-2	NSP14		19.22%	23.19%	10.80%	METHANOL; SINEFUNGIN; ETHANOL	SINEFUNGIN; ETHANOL; METHANOL	DIALS	90.00%	9.2	NSLS-II (17-ID-1)	PHENIX	2022-02-06	36075969	ZN	-	-	-	N/A	-	-	Transcription factor ETV6,Proofreading exoribonuclease nsp14 chimera	51.6	-		No	-		53.3	75.4	49.4		-
8czi	2.22 Å	2022-09-07	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-05-24	36122200	-	-	-	-	N/A	-	-	Scaffolded Spike protein S2' HR1; Spike protein S2' HR2	N/A	-		No	-		N/A	N/A	N/A		-
8e5x	1.70 Å	2022-09-07	X-ray	PG4, URR, UO9	SARS-CoV-2	NSP5 (3CLpro)		17.90%	21.50%	8.40%	(2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid	TETRAETHYLENE GLYCOL; N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide; (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid	XDS	100.00%	22.1	SEALED TUBE ()	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	55.3	-		No	-	-	69.7	40.7	74.9		-
8e61	1.85 Å	2022-09-07	X-ray	VLU, VM0	SARS-CoV-2	NSP5 (3CLpro)		17.60%	21.70%	5.40%	(1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1R,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-2-{[N-({2-[(3-chlorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	98.60%	12.4	NSLS-II (19-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	3C-like proteinase	66.8	-		No	-	-	67.9	61.7	79.1		-
8e6b	1.55 Å	2022-09-07	X-ray	URR, UO9	MERS-CoV	NSP5 (3CLpro)		17.40%	19.80%	4.40%	N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide	N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide; (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid	XDS	95.30%	13.9	NSLS-II (19-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	Orf1a protein - Full Length	72.1	-		No	-	-	83.0	71.3	66.3		-
8e6c	2.70 Å	2022-09-07	X-ray	UTU	MERS-CoV	NSP5 (3CLpro)		20.08%	25.87%	14.70%	[2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	[2-(3-fluorophenyl)sulfanyl-2-methyl-propyl] ~{N}-[(2~{S})-1-[[3-[(3~{S})-2-$l^{3}-oxidanylidenepyrrolidin-3-yl]-1-$l^{1}-oxidanylsulfonyl-1-oxidanyl-propan-2-yl]-$l^{2}-azanyl]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	XDS	99.70%	5.3	NSLS-II (19-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	Orf1a protein	52.4	-		No	-	-	27.7	88.6	63.4		-
8e6d	2.70 Å	2022-09-07	X-ray	UTL	MERS-CoV	NSP5 (3CLpro)		21.03%	26.38%	12.90%	(1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1R,2S)-2-{[N-({2-[(4-fluorophenyl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	96.40%	6.6	NSLS-II (19-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	Orf1a protein	32.2	-		No	-	-	24.0	68.5	47.9		-
8e6e	1.50 Å	2022-09-07	X-ray	UV2, UUR	MERS-CoV	NSP5 (3CLpro)		17.30%	20.30%	5.00%	2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid; 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	XDS	99.70%	11.6	NSLS-II (19-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	Orf1a protein	73.4	-		No	-	-	79.6	64.4	79.8		-
7f60	2.85 Å	2022-09-14	X-ray	-	SARS-CoV-2	ORF6		23.57%	27.56%	37.00%		-	XDS	99.00%	3.47	SSRF (BL17B1)	PHENIX	2021-06-23	-	-	-	-	-	N/A	-	-	Nuclear pore complex protein Nup98-Nup96; mRNA export factor; ORF6 protein	25.7	-		No	-	-	16.4	60.7	49.8		-
7f90	2.39 Å	2022-09-14	X-ray	-	SARS-CoV	ORF6		21.96%	25.81%	13.10%		-	XDS	99.70%	7.62	SSRF (BL19U1)	PHENIX	2021-07-03	-	-	-	-	-	N/A	-	-	Nuclear pore complex protein Nup98-Nup96; ORF6 protein; mRNA export factor	12.8	-		No	-	-	28.1	30.7	38.0		-
7t2t	1.45 Å	2022-09-14	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		15.51%	20.01%	7.20%		-	XDS	98.40%	15.98	SSRL (BL12-2)	REFMAC	2021-12-06	36075915	-	-	-	-	N/A	-	-	3C-like proteinase	65.5	-		No	-		81.6	56.0	68.2		-
7t2u	2.10 Å	2022-09-14	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		24.51%	29.99%	9.70%		-	XDS	96.40%	8.86	SSRL (BL12-2)	REFMAC	2021-12-06	36075915	-	-	-	-	N/A	-	-	3C-Like Protease; NEMO peptide	13.3	-		No	-		7.3	37.2	53.8		-
7t2v	2.47 Å	2022-09-14	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.57%	23.70%	18.10%		-	XDS	96.80%	8.33	SSRL (BL12-2)	REFMAC	2021-12-06	36075915	-	-	-	-	N/A	-	-	3C-Like Protease	48.7	-		No	-		47.7	67.7	57.2		-
7v6n	3.99 Å	2022-09-14	Cryo-EM	-	MERS-CoV	Spike		N/A	N/A	N/A		-		-	-	()		2021-08-20	-	-	-	-	-	N/A	-	-	Spike glycoprotein; 111 L; 111 H	N/A	-		No	-	-	N/A	N/A	N/A		-
7xxl	7.30 Å	2022-09-14	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-30	36138032	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; Fab14 light chain; Fab14 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8e64	1.75 Å	2022-09-14	X-ray	WEQ, WEL	SARS-CoV-2	NSP5 (3CLpro)		17.40%	21.20%	6.10%	(1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1~{R},2~{S})-2-[[(2~{S})-2-[[2-(1~{H}-benzimidazol-2-ylsulfanyl)-2-methyl-propoxy]carbonylamino]-4-methyl-pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid;molecular oxygen; (1S,2S)-2-{[N-({2-[(1H-benzimidazol-2-yl)sulfanyl]-2-methylpropoxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	99.90%	22.4	SEALED TUBE ()	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	3C-like proteinase	81.1	-		No	-	-	72.3	91.0	83.1		-
8e65	1.80 Å	2022-09-14	X-ray	WF5	SARS-CoV-2	NSP5 (3CLpro)		18.10%	23.50%	13.00%	(1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-[(N-{[2-(4-chlorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	100.00%	10.1	NSLS-II (19-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	75.9	-		No	-	-	49.8	88.4	91.9		-
8e68	1.60 Å	2022-09-14	X-ray	WGU, WGO, PG4	SARS-CoV-2	NSP5 (3CLpro)		18.20%	21.70%	7.40%	N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide; (1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-[(N-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; N~2~-{[2-(4-fluorophenoxy)-2-methylpropoxy]carbonyl}-N-{(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide; TETRAETHYLENE GLYCOL	XDS	99.80%	12.0	APS (17-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	3C-like proteinase	56.9	-		No	-	-	67.9	39.2	81.2		-
7v5j	2.80 Å	2022-09-21	Cryo-EM	-	MERS-CoV	Spike		N/A	N/A	N/A		-		-	-	()		2021-08-17	-	-	-	-	-	N/A	-	-	0722 L; 0722 H; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7xco	2.50 Å	2022-09-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-24	-	-	-	-	-	N/A	-	-	S309 fab light chain; Spike glycoprotein; S309 Fab heavy chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7y9z	2.85 Å	2022-09-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-26	36002453	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7ya0	3.10 Å	2022-09-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-26	36002453	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dox	1.46 Å	2022-09-21	X-ray	T2L	SARS-CoV-2	NSP5 (3CLpro)		19.93%	22.89%	17.80%	(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1S,2S)-1-(4-fluoro-1,3-benzothiazol-2-yl)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	xia2	99.10%	8.68	SPring-8 (BL24XU)	REFMAC	2022-07-14	36841831	-	-	-	-	N/A	-	-	3C-like proteinase nsp5 - UNP residues 3264-3565	63.8	-		No	-		56.2	68.6	77.4		-
8drr	2.00 Å	2022-09-21	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.59%	23.71%	8.70%	SODIUM ION	SODIUM ION	XDS	100.00%	12.8	APS (23-ID-D)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	3C-like proteinase nsp5 - UNP residues 3264-3563	16.9	-		No	-		47.7	23.1	36.5		-
8drs	1.80 Å	2022-09-21	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		17.97%	21.79%	19.00%		-	iMOSFLM	99.80%	7.0	ALS (5.0.2)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	3C-like proteinase nsp5 - UNP residues 3264-3563	41.2	-		No	-		67.2	43.3	47.7		-
8drt	1.50 Å	2022-09-21	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		15.46%	18.27%	4.60%		-	autoPROC	68.00%	16.8	APS (23-ID-B)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	3C-like proteinase nsp5 - UNP residues 3264-3563	77.1	-		No	-		91.1	58.1	84.5		-
8dru	2.31 Å	2022-09-21	X-ray	1PE, PO4	SARS-CoV-2	NSP5 (3CLpro)		19.00%	23.71%	7.30%	PENTAETHYLENE GLYCOL; PHOSPHATE ION	PENTAETHYLENE GLYCOL; PHOSPHATE ION	XDS	93.10%	11.2	CLSI (08B1-1)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	Fusion protein of 3C-like proteinase nsp5 and nsp7-nsp8 (C7) cut site	13.8	-		No	-		47.7	30.8	21.2		-
8drv	2.40 Å	2022-09-21	X-ray	1PE	SARS-CoV-2	NSP5 (3CLpro)		17.76%	23.98%	18.10%	PENTAETHYLENE GLYCOL	PENTAETHYLENE GLYCOL	XDS	99.90%	9.9	APS (23-ID-B)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	Fusion protein of 3C-like proteinase nsp5 and nsp8-nsp9 (C8) cut site	54.1	-		No	-		45.2	91.1	46.6		-
8drw	2.67 Å	2022-09-21	X-ray	PO4, NA, 1PE	SARS-CoV-2	NSP5 (3CLpro)		20.46%	23.92%	17.90%	SODIUM ION; PHOSPHATE ION; PENTAETHYLENE GLYCOL	PHOSPHATE ION; SODIUM ION; PENTAETHYLENE GLYCOL	autoPROC	99.40%	7.3	APS (23-ID-B)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	Fusion protein of 3C-like proteinase nsp5 and nsp9-nsp10 (C9) cut site	20.6	-		No	-		45.6	40.4	30.0		-
8drx	1.50 Å	2022-09-21	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		16.26%	19.16%	5.20%	SODIUM ION	SODIUM ION		95.10%	17.7	CLSI (08B1-1)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	Fusion protein of 3C-like proteinase nsp5 and nsp10-nsp11 (C10) cut site	56.4	-		No	-		86.9	40.0	60.5		-
8dry	2.49 Å	2022-09-21	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.42%	26.41%	N/A		-	autoPROC	72.60%	9.1	APS (23-ID-B)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	Fusion protein of 3C-like proteinase nsp5 and nsp12-nsp13 (C12) cut site	22.9	-		No	-		23.6	76.6	20.9		-
8e5z	1.80 Å	2022-09-21	X-ray	UQO, WJB	SARS-CoV-2	NSP5 (3CLpro)		19.50%	25.30%	6.60%	(1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-2-[(N-{[2-(benzenesulfonyl)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	98.50%	11.0	APS (17-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	3C-like proteinase	64.9	-		No	-	-	32.4	91.0	81.3		-
8e69	2.26 Å	2022-09-21	X-ray	WIO	SARS-CoV-2	NSP5 (3CLpro)		19.70%	26.50%	6.60%	(1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1R,2S)-2-[(N-{[2-(3-fluorophenoxy)-2-methylpropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	XDS	99.50%	9.2	APS (17-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	3C-like proteinase	48.9	-		No	-	-	22.9	73.4	76.8		-
8e6a	2.05 Å	2022-09-21	X-ray	WIX, WJ0	SARS-CoV-2	NSP5 (3CLpro)		20.20%	27.70%	6.70%	(1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-[(N-{[(2R)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-2-[(N-{[(2S)-2-(3-chlorophenyl)-2-hydroxypropoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3R)-2-oxo-3,4-dihydro-2H-pyrrol-3-yl]propane-1-sulfonic acid	XDS	99.40%	10.3	APS (17-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	3C-like proteinase	47.0	-		No	-	-	15.5	90.8	62.9		-
7v6o	4.56 Å	2022-09-28	Cryo-EM	-	MERS-CoV	Spike		N/A	N/A	N/A		-		-	-	()		2021-08-20	-	-	-	-	-	N/A	-	-	Spike glycoprotein; 111 L; 111 H	N/A	-		No	-	-	N/A	N/A	N/A		-
7wrj	4.08 Å	2022-09-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-26	-	-	-	-	-	N/A	-	-	Spike protein S1; BD55-4637L; BD55-4637H	N/A	-		No	-	-	N/A	N/A	N/A		-
7wry	3.28 Å	2022-09-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-27	36493787	-	-	-	-	N/A	-	-	BD55-3546L; BD55-3546H; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7xwa	3.36 Å	2022-09-28	X-ray	NAG	SARS-CoV-2	Spike		23.09%	28.67%	N/A	alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.80%	6.7	Photon Factory (BL-17A)	BUSTER; PHENIX	2022-05-26	36198317	ZN	-	-	-	N/A	-	-	Spike protein S1; Processed angiotensin-converting enzyme 2	8.1	-		No	-		11.2	20.9	50.0		-
7y0c	2.94 Å	2022-09-28	X-ray	-	SARS-CoV-2	Spike		20.20%	27.78%	N/A		-	HKL-2000	99.61%	1.62	SSRF (BL17U)	PHENIX	2022-06-04	36493787	-	-	-	-	N/A	-	-	BD55-1403 Fab heavy chain; Spike protein S1 - Omicron RBD; BD55-1403 Fab light chain	14.4	-		No	-		15.3	56.1	29.7		-
7y0v	2.48 Å	2022-09-28	X-ray	-	SARS-CoV-2	Spike		21.09%	26.76%	10.40%		-	xia2	99.90%	12.98	SSRF (BL10U2)	PHENIX	2022-06-06	36493787	-	-	-	-	N/A	-	-	5549-Fab; 5549-Fab; Spike protein S1 - BA.1-RBD	11.0	-		No	-		21.2	28.7	41.6		-
7y0w	3.42 Å	2022-09-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-06-06	36493787	-	-	-	-	N/A	-	-	Spike protein S1; BD55-5514L; BD55-5514H; BD55-5840L; BD55-5840H	N/A	-		No	-		N/A	N/A	N/A		-
8acd	1.39 Å	2022-09-28	X-ray	LQ6	SARS-CoV-2	NSP5 (3CLpro)		14.54%	18.37%	5.70%	(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide	(2~{S})-4-[[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-6-yl]carbonyl]-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide	XDS	82.80%	14.9	PETRA III, EMBL c/o DESY (P14 (MX2))	PHENIX	2022-07-05	36107752	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	71.6	-		No	-		90.8	51.8	76.9		-
8acl	1.40 Å	2022-09-28	X-ray	LQL	SARS-CoV-2	NSP5 (3CLpro)		13.80%	17.23%	6.10%	(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide	(2~{S})-1-(3,4-dichlorophenyl)-4-pyridin-3-ylcarbonyl-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide	XDS	86.50%	13.1	PETRA III, EMBL c/o DESY (P13 (MX1))	PHENIX	2022-07-05	36107752	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	65.7	-		No	-		94.5	39.4	72.4		-
8drz	1.98 Å	2022-09-28	X-ray	1PE, TRS, NA	SARS-CoV-2	NSP5 (3CLpro)		17.68%	22.33%	13.40%	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; PENTAETHYLENE GLYCOL; SODIUM ION	PENTAETHYLENE GLYCOL; 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; SODIUM ION		100.00%	10.7	ALS (5.0.1)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	30.0	-		No	-		61.9	27.9	46.2		-
8ds0	2.20 Å	2022-09-28	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.29%	24.59%	19.40%		-		99.90%	8.7	APS (23-ID-B)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	13.7	-		No	-		39.4	37.5	22.3		-
8ds1	2.19 Å	2022-09-28	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.79%	24.84%	13.40%	SODIUM ION	SODIUM ION		99.80%	10.9	CLSI (08B1-1)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	16.6	-		No	-		36.7	30.1	39.8		-
8ds2	1.60 Å	2022-09-28	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		15.40%	18.68%	7.60%	SODIUM ION	SODIUM ION		96.94%	17.12	ALS (5.0.2)	PHENIX	2022-07-21	36057636	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	79.5	-		No	-		89.4	71.3	80.3		-
8e63	1.75 Å	2022-09-28	X-ray	UV2, UUR, PG4	SARS-CoV-2	NSP5 (3CLpro)		17.90%	21.70%	6.30%	2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; (1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid	(1R,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[2-(phenylsulfanyl)ethoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid; 2-phenylsulfanylethyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate; TETRAETHYLENE GLYCOL	XDS	99.90%	9.6	NSLS-II (19-ID)	PHENIX	2022-08-22	-	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	73.5	-		No	-	-	67.9	86.0	70.2		-
8ehj	2.28 Å	2022-09-28	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		21.44%	25.01%	11.20%		-	HKL-2000	98.30%	21.23	APS (19-ID)	REFMAC	2022-09-14	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	44.2	-		No	-	-	35.0	41.2	87.7		-
8ehk	2.18 Å	2022-09-28	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		17.85%	23.26%	12.90%		-	HKL-2000	98.60%	18.68	APS (19-ID)	REFMAC	2022-09-14	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	70.5	-		No	-	-	52.5	88.6	75.8		-
8ehl	2.19 Å	2022-09-28	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.72%	25.38%	10.00%		-	HKL-2000	99.30%	24.79	APS (19-ID)	REFMAC	2022-09-14	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	60.3	-		No	-	-	31.9	68.5	94.6		-
8ehm	1.84 Å	2022-09-28	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.47%	24.29%	9.00%		-	HKL-2000	99.50%	26.64	APS (19-ID)	REFMAC	2022-09-14	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	59.7	-		No	-	-	42.2	57.7	94.0		-
7set	1.70 Å	2022-10-05	X-ray	I70	SARS-CoV-2	NSP5 (3CLpro)		16.70%	20.56%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	95.00%	9.2	SSRL (BL12-2)	REFMAC	2021-10-01	-	-	-	-	-	N/A	-	-	3C-like proteinase	72.3	-		No	-	-	77.7	73.8	69.6		-
7sf1	1.85 Å	2022-10-05	X-ray	8ZI	SARS-CoV-2	NSP5 (3CLpro)		16.30%	20.79%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(3,3-dimethylbutanoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	98.80%	6.9	SSRL (BL12-1)	REFMAC	2021-10-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	75.0	-		No	-	-	75.9	83.7	68.3		-
7sf3	1.75 Å	2022-10-05	X-ray	90H	SARS-CoV-2	NSP5 (3CLpro)		16.90%	19.49%	N/A	(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-3-hydroxy-4-(methylamino)-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	98.60%	9.6	SSRL (BL12-2)	REFMAC	2021-10-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	80.0	-		No	-	-	85.1	78.7	79.0		-
7sfb	1.90 Å	2022-10-05	X-ray	PGE, 90U	SARS-CoV-2	NSP5 (3CLpro)		18.34%	23.15%	N/A	benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate; TRIETHYLENE GLYCOL	TRIETHYLENE GLYCOL; benzyl (1R,2S,5S)-2-({(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate	XDS	98.30%	16.7	SSRL (BL9-2)	REFMAC	2021-10-03	-	-	-	-	-	N/A	-	-	3C-like proteinase	63.0	-		No	-	-	53.6	73.4	73.8		-
7sfh	1.40 Å	2022-10-05	X-ray	91I, CA	SARS-CoV-2	NSP5 (3CLpro)		16.49%	19.31%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide; CALCIUM ION	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-(3-phenylpropanoyl)-3-azabicyclo[3.1.0]hexane-2-carboxamide; CALCIUM ION	XDS	99.60%	12.8	SSRL (BL9-2)	REFMAC	2021-10-03	-	CA	-	-	-	N/A	-	-	3C-like proteinase	76.2	-		No	-	-	86.1	73.8	71.1		-
7sfi	1.95 Å	2022-10-05	X-ray	CA, 91Z	SARS-CoV-2	NSP5 (3CLpro)		19.52%	23.86%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide; CALCIUM ION	CALCIUM ION; (1R,2S,5S)-N-{(2S,3R)-4-amino-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[N-(2,4,6-trifluorophenyl)glycyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	98.80%	13.0	SSRL (BL9-2)	REFMAC	2021-10-03	-	CA	-	-	-	N/A	-	-	3C-like proteinase	62.4	-		No	-	-	46.3	78.7	74.4		-
7sgh	1.85 Å	2022-10-05	X-ray	99W	SARS-CoV-2	NSP5 (3CLpro)		19.48%	23.15%	N/A	(S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide	(S)-N-((S)-1-imino-3-((S)-2-oxopyrrolidin-3-yl)propan-2-yl)-4-methyl-2-(2-((2,4,6-trifluorophenyl)amino)acetamido)pentanamide	DIALS	96.80%	5.1	SSRL (BL12-2)	REFMAC	2021-10-05	-	-	-	-	-	N/A	-	-	3C-like proteinase	56.0	-		No	-	-	53.6	61.1	72.0		-
7uj9	2.25 Å	2022-10-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.43%	25.02%	13.70%		-	CrysalisPro	99.70%	11.05	ROTATING ANODE ()	PHENIX	2022-03-30	36114420	-	-	-	-	N/A	-	-	3C-like proteinase nsp5 - catalytic domain (MPro1-199)	18.1	-		No	-		34.9	20.4	54.9		-
7ujg	1.80 Å	2022-10-05	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)		14.23%	17.92%	3.80%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	CrysalisPro	95.10%	32.3	ROTATING ANODE ()	PHENIX	2022-03-30	36114420	-	-	-	-	N/A	-	-	3C-like proteinase nsp5 - catalytic domain (MPro1-196)	72.2	-		No	-		92.4	47.7	80.7		-
7uju	1.85 Å	2022-10-05	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		15.40%	17.45%	7.20%		(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	CrysalisPro	99.30%	15.32	ROTATING ANODE ()	PHENIX	2022-03-31	36114420	-	-	-	-	N/A	-	-	3C-like proteinase nsp5 - catalytic domain (MPro1-196)	69.5	-		No	-		94.0	38.7	82.0		-
7ukk	2.00 Å	2022-10-05	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)		16.09%	18.14%	7.10%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	CrysalisPro	99.90%	19.24	ROTATING ANODE ()	PHENIX	2022-04-01	36114420	-	-	-	-	N/A	-	-	3C-like proteinase	80.7	-		No	-		91.6	73.8	79.6		-
7vib	3.20 Å	2022-10-05	X-ray	-	Pangolin CoV	Spike		20.36%	25.79%	10.70%		-	HKL-2000	98.40%	5.2	SSRF (BL10U2)	PHENIX	2021-09-26	-	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	23.8	-		No	-	-	28.4	63.4	31.0		-
7xrp	3.88 Å	2022-10-05	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-11	36109732	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; C5G2 nanobody; Spike protein S1 - NTD	N/A	-		No	-		N/A	N/A	N/A		-
8dz0	2.29 Å	2022-10-05	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		21.90%	27.53%	N/A	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	XDS	89.40%	4.3	LNLS SIRUS (MANACA)	PHENIX	2022-08-06	36775130	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	10.0	-		No	-		16.5	45.4	26.4		-
8dz1	2.08 Å	2022-10-05	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		21.79%	25.61%	N/A	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	XDS	90.10%	6.2	LNLS SIRUS (MANACA)	PHENIX	2022-08-06	36775130	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	15.0	-		No	-		29.8	36.1	36.7		-
8dz2	2.13 Å	2022-10-05	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		18.91%	22.95%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	98.60%	8.6	LNLS SIRUS (MANACA)	REFMAC	2022-08-06	36775130	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	63.6	-		No	-		55.5	86.1	60.2		-
8dz6	2.37 Å	2022-10-05	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		22.86%	29.61%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	56.90%	4.6	LNLS SIRUS (MANACA)	REFMAC	2022-08-06	36775130	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	17.9	-		No	-		8.2	66.4	35.0		-
8dza	1.96 Å	2022-10-05	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		20.07%	24.19%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	58.70%	7.8	LNLS SIRUS (MANACA)	REFMAC	2022-08-06	36775130	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	36.6	-		No	-		43.2	53.7	52.4		-
7mat	2.74 Å	2022-10-12	X-ray	H37	SARS-CoV-2	NSP5 (3CLpro)		19.55%	25.95%	6.10%	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide	D-phenylalanyl-N-[(3S)-6-carbamimidamido-1-chloro-2-oxohexan-3-yl]-L-phenylalaninamide	HKL-2000	98.20%	16.9	ROTATING ANODE ()	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	25.7	-		No	-	-	27.0	42.6	57.2		-
7mau	1.95 Å	2022-10-12	X-ray	DIO, YVP	SARS-CoV-2	NSP5 (3CLpro)		17.10%	21.45%	5.00%	N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide	1,4-DIETHYLENE DIOXIDE; N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-carbamimidamido-2-oxohexan-3-yl]-L-phenylalaninamide	HKL-2000	97.80%	17.5	ROTATING ANODE ()	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	62.5	-		No	-	-	70.2	50.2	79.3		-
7mav	1.91 Å	2022-10-12	X-ray	YVY	SARS-CoV-2	NSP5 (3CLpro)		20.09%	24.45%	11.00%	N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide	N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-[(3S)-6-(carbamoylamino)-2-oxohexan-3-yl]-L-phenylalaninamide	XDS	97.20%	8.3	NSLS-II (17-ID-2)	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	45.7	-		No	-	-	40.6	73.6	52.5		-
7maw	2.07 Å	2022-10-12	X-ray	YVA	SARS-CoV-2	NSP5 (3CLpro)		17.21%	22.86%	3.60%	ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate	ethyl (4R)-4-({3-cyclopropyl-N-[(2E)-3-(4-ethynylphenyl)prop-2-enoyl]-L-alanyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate		98.90%	12.3	NSLS-II (17-ID-2)	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	55.8	-		No	-	-	56.5	60.1	69.8		-
7max	1.98 Å	2022-10-12	X-ray	YV7	SARS-CoV-2	NSP5 (3CLpro)		20.13%	24.30%	2.60%	D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide	D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide		99.40%	13.7	NSLS-II (17-ID-2)	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	18.4	-		No	-	-	41.9	15.7	53.2		-
7maz	1.70 Å	2022-10-12	X-ray	YVD	SARS-CoV-2	NSP5 (3CLpro)		16.40%	20.75%	4.40%	4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide	4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-4-fluoro-L-phenylalaninamide		95.90%	10.2	NSLS-II (17-ID-2)	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	65.9	-		No	-	-	76.2	52.2	78.4		-
7mb0	1.54 Å	2022-10-12	X-ray	YVG	SARS-CoV-2	NSP5 (3CLpro)		17.92%	19.93%	12.10%	D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide	D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide		99.70%	11.4	NSLS-II (17-ID-2)	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	75.2	-		No	-	-	82.2	61.8	84.4		-
7mb1	1.43 Å	2022-10-12	X-ray	YVJ	SARS-CoV-2	NSP5 (3CLpro)		18.77%	21.38%	3.30%	4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide	4-fluoro-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide		94.00%	11.0	NSLS-II (17-ID-2)	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	59.5	-		No	-	-	70.9	42.5	80.1		-
7mb2	1.89 Å	2022-10-12	X-ray	YVM	SARS-CoV-2	NSP5 (3CLpro)		16.66%	21.04%	11.00%	4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide	4-fluoro-N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide		99.50%	8.0	NSLS-II (17-ID-2)	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	80.8	-		No	-	-	73.7	86.1	85.7		-
7mb3	1.81 Å	2022-10-12	X-ray	YVV	SARS-CoV-2	NSP5 (3CLpro)		19.47%	23.32%	6.90%	N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide	N-{3-[(prop-2-yn-1-yl)oxy]propanoyl}-D-phenylalanyl-N-{(2R)-5-ethoxy-5-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]pentan-2-yl}-L-phenylalaninamide		96.40%	10.2	NSLS-II (17-ID-2)	PHENIX	2021-03-31	-	-	-	-	-	N/A	-	-	3C-like proteinase	62.9	-		No	-	-	51.8	70.3	78.5		-
7zce	3.50 Å	2022-10-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-28	36114671	-	-	-	-	N/A	-	-	scFv76 single chain fragment; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7zcf	4.00 Å	2022-10-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-28	36114671	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin; scFv76 single chain fragment	N/A	-		No	-		N/A	N/A	N/A		-
8a4q	1.75 Å	2022-10-12	X-ray	O6K	SARS-CoV-2	NSP5 (3CLpro)		17.80%	21.92%	10.00%	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate		98.10%	11.1	EMBL/DESY, HAMBURG (X11)	REFMAC	2022-06-13	36179320	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	61.2	-		No	-		65.8	64.4	66.6		-
8a4t	2.50 Å	2022-10-12	X-ray	O6K	SARS-CoV-2	NSP5 (3CLpro)		20.75%	28.94%	14.50%	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	~{tert}-butyl ~{N}-[1-[(2~{S})-3-cyclopropyl-1-oxidanylidene-1-[[(2~{S},3~{R})-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate		100.00%	10.7	PETRA III, DESY (P11)	REFMAC	2022-06-13	36179320	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	19.2	-		No	-		10.1	76.2	26.4		-
8e25	1.87 Å	2022-10-12	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		19.40%	24.00%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	51.42%	7.4	LNLS SIRUS (MANACA)	REFMAC	2022-08-14	36775130	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	46.1	-		No	-		44.7	45.2	77.6		-
8e26	1.84 Å	2022-10-12	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		22.42%	26.54%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	39.62%	4.4	LNLS SIRUS (MANACA)	REFMAC	2022-08-14	36775130	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	35.5	-		No	-		22.7	71.3	53.0		-
8gx9	4.01 Å	2022-10-12	X-ray	NAG	SARS-CoV-2	Spike		23.78%	29.69%	29.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	97.27%	4.8	SSRF (BL17U1)	PHENIX	2022-09-19	-	-	-	-	-	N/A	-	-	light chain of P2B-1G5; heavy chain of P2C-1F11; light chain of P2C-1F11; Spike protein S1; heavy chain of P2B-1G5	23.9	-		No	-	-	8.0	73.1	41.9		-
7ufk	2.38 Å	2022-10-19	X-ray	NAG, NA	SARS-CoV-2	Spike		19.19%	23.53%	4.30%	SODIUM ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; SODIUM ION	XDS	51.40%	17.0	SSRL (BL12-1)	PHENIX	2022-03-22	36256797	NA; ZN	-	-	-	N/A	-	-	Spike protein S1 - receptor-binding domain; Angiotensin-converting enzyme 2 - UNP residues 19-615	36.4	-		No	-		49.6	28.1	71.3		-
7ufl	2.84 Å	2022-10-19	X-ray	NAG	SARS-CoV-2	Spike		21.37%	27.09%	6.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	54.50%	10.0	SSRL (BL12-1)	PHENIX	2022-03-22	36256797	ZN	-	-	-	N/A	-	-	Spike protein S1 - receptor-binding domain; Angiotensin-converting enzyme 2	5.5	-		No	-		19.1	18.2	34.5		-
7vhj	4.20 Å	2022-10-19	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-09-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7vhk	3.60 Å	2022-10-19	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-09-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7vhl	3.90 Å	2022-10-19	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-09-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7vhm	3.20 Å	2022-10-19	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-09-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wse	2.93 Å	2022-10-19	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-29	36187898	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme	N/A	-		No	-		N/A	N/A	N/A		-
7wsf	2.87 Å	2022-10-19	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-29	36187898	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
7ye7	2.95 Å	2022-10-19	X-ray	DD9, OCT	SARS-CoV-2	ORF9B		26.57%	28.92%	6.10%	nonane; N-OCTANE	nonane; N-OCTANE	HKL-2000	99.80%	34.357	SSRF (BL17U1)	PHENIX	2022-07-05	36184694	-	-	-	-	N/A	-	-	ORF9b protein	5.2	-		No	-		10.2	23.5	37.1		-
7ye8	3.01 Å	2022-10-19	X-ray	OCT	SARS-CoV-2	ORF9B		24.16%	29.85%	6.50%	N-OCTANE	N-OCTANE	HKL-2000	100.00%	46.615	SSRF (BL17U1)	PHENIX	2022-07-05	36184694	-	-	-	-	N/A	-	-	ORF9b protein	13.9	-		No	-		7.6	31.0	61.1		-
7yqt	3.45 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-08	36270286	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7yqu	3.19 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-08-08	36270286	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7yqv	3.58 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-08	36270286	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7yqw	3.51 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-08-08	36270286	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7yqx	3.72 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-08	36270286	-	-	-	-	N/A	-	-	Spike glycoprotein; S309 light chain; S309 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7yqy	3.74 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-08	36270286	-	-	-	-	N/A	-	-	S309 heavy chain; Spike glycoprotein; S309 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7yqz	3.84 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-08	36270286	-	-	-	-	N/A	-	-	Spike glycoprotein; S309 light chain; S309 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7yr0	3.98 Å	2022-10-19	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-08-08	36270286	-	-	-	-	N/A	-	-	Spike protein S1; IGK@ protein; Heavy chain of S309	N/A	-		No	-		N/A	N/A	N/A		-
7yr1	3.62 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-08	36270286	-	-	-	-	N/A	-	-	Spike glycoprotein; XG2v024 Heavy chain; XG2v024 Light chain	N/A	-		No	-		N/A	N/A	N/A		-
7yr2	3.30 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-08	36270286	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7yr3	3.52 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-08	36270286	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8d8q	4.20 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-08	36202799	-	-	-	-	N/A	-	-	2196 heavy chain; 2196 light chain; Spike glycoprotein; 2130 light chain; 2130 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8d8r	4.10 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-08	36202799	-	-	-	-	N/A	-	-	2196 light chain; Spike glycoprotein; 2196 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8h10	2.99 Å	2022-10-19	Cryo-EM	BLA, NAG, EIC	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID; BILIVERDINE IX ALPHA	BILIVERDINE IX ALPHA; 2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8h13	4.05 Å	2022-10-19	Cryo-EM	NAG	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8h14	3.39 Å	2022-10-19	Cryo-EM	NAG, EIC	SARS-CoV	Spike		N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wb5	3.70 Å	2022-10-26	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2021-12-15	35078968	-	-	-	-	N/A	-	-	hu33 light chain; hu33 heavy chain; Surface glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wbh	3.70 Å	2022-10-26	Cryo-EM	NAG	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-16	35078968	-	-	-	-	N/A	-	-	heavy chain of hu33; Spike glycoprotein; Spike glycoprotein; light chain of hu33	N/A	-		No	-		N/A	N/A	N/A		-
8erq	3.30 Å	2022-10-26	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-10-12	36264829	-	-	-	-	N/A	-	-	S2X324 Fab heavy chain; S2X324 Fab light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8err	3.10 Å	2022-10-26	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-10-12	36264829	-	-	-	-	N/A	-	-	S2X324 light chain; S2X324 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8gs6	2.86 Å	2022-10-26	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-09-05	36272413	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7fr0	1.15 Å	2022-11-09	X-ray	WW0	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	12.69%	14.51%	6.40%	2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide	2-hydroxy-N-(pentan-3-yl)-3H-imidazo[4,5-b]pyridine-7-carboxamide	XDS	99.70%	14.37	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	75.2	-		No	-	-	98.7	59.3	70.4		-
7fr1	1.15 Å	2022-11-09	X-ray	WWC	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.23%	15.18%	5.70%	1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide	1-methyl-N'-(7H-purin-6-yl)cyclopropane-1-carbohydrazide	XDS	99.20%	14.21	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	73.6	-		No	-	-	98.1	46.2	79.8		-
7fr2	1.15 Å	2022-11-09	X-ray	WWH	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.25%	15.30%	4.80%	3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide	3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide	XDS	99.10%	18.93	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	72.0	-		No	-	-	98.0	41.0	81.3		-
7fr3	1.00 Å	2022-11-09	X-ray	WWH	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.56%	16.64%	11.20%	3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide	3-cyclohexyl-N-{(2S)-1-[(9H-purin-6-yl)amino]butan-2-yl}propanamide	XDS	99.10%	6.57	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	61.1	-		No	-	-	95.9	22.4	78.2		-
7fr4	1.00 Å	2022-11-09	X-ray	WWN	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.81%	15.76%	9.00%	2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide	2-cyclohexyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}acetamide	XDS	99.80%	9.74	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	58.4	-		No	-	-	97.4	17.7	76.3		-
7fr5	1.00 Å	2022-11-09	X-ray	WWT	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.87%	15.58%	10.80%	2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide	2-hydroxy-N-propyl-3H-imidazo[4,5-b]pyridine-7-carboxamide	XDS	99.70%	8.3	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	70.5	-		No	-	-	97.7	26.7	92.4		-
7fr6	1.00 Å	2022-11-09	X-ray	WX6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.42%	16.25%	7.60%	(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone	(azepan-1-yl)(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)methanone	XDS	99.80%	10.46	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	63.2	-		No	-	-	96.7	26.7	77.8		-
7fr7	1.00 Å	2022-11-09	X-ray	WXB	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	15.85%	17.35%	12.00%	6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione	6-(azepane-1-carbonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione	XDS	99.60%	7.33	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	58.7	-		No	-	-	94.2	26.7	71.1		-
7fr8	1.00 Å	2022-11-09	X-ray	WXF	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.99%	15.58%	12.10%	(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone	(2-hydroxy-3H-imidazo[4,5-b]pyridin-7-yl)[(2R)-2-methylmorpholin-4-yl]methanone	XDS	99.40%	7.71	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	68.4	-		No	-	-	97.7	29.3	85.2		-
7fr9	1.00 Å	2022-11-09	X-ray	WXK	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.61%	16.57%	8.80%	N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide	N-(1-methylcyclopropyl)-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-sulfonamide	XDS	99.80%	8.49	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	65.9	-		No	-	-	96.1	38.5	72.1		-
7fra	1.00 Å	2022-11-09	X-ray	WXO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.36%	15.93%	14.00%	6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione	6-(azepane-1-sulfonyl)pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione	XDS	99.50%	5.92	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	59.0	-		No	-	-	97.2	31.0	64.4		-
7frb	1.00 Å	2022-11-09	X-ray	WXT	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.92%	15.36%	12.50%	1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide	1-methyl-N-{(2S)-3-methyl-2-[(9H-purin-6-yl)amino]butyl}cyclobutane-1-carboxamide	XDS	99.70%	7.31	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	68.1	-		No	-	-	97.9	29.3	84.3		-
7frc	1.00 Å	2022-11-09	X-ray	WXX	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	13.98%	15.84%	6.80%	3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide	3-cyclohexyl-N-{(2R)-2-[(1H-pyrazolo[3,4-d]pyrimidin-4-yl)amino]butyl}propanamide	XDS	99.50%	11.33	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	63.7	-		No	-	-	97.3	27.9	76.9		-
7frd	1.00 Å	2022-11-09	X-ray	WY6	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.56%	16.20%	11.60%	3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide	3-phenyl-N-{(2S)-1-[(7H-purin-6-yl)amino]butan-2-yl}propanamide	XDS	99.50%	8.31	SSRL (BL12-1)	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Non-structural protein 3	53.1	-		No	-	-	96.8	17.7	66.6		-
7sd9	1.85 Å	2022-11-09	X-ray	8T6	SARS-CoV-2	NSP5 (3CLpro)		22.22%	24.94%	N/A	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-1H-indole-2-carboxamide	PROTEUM PLUS	95.40%	13.3	ROTATING ANODE ()	PHENIX	2021-09-29	-	-	-	-	-	N/A	-	-	3C-like proteinase	13.0	-		No	-	-	35.7	21.1	40.5		-
7sda	1.85 Å	2022-11-09	X-ray	8UI	SARS-CoV-2	NSP5 (3CLpro)		21.70%	24.44%	N/A	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-4,4-dimethyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	PROTEUM PLUS	99.70%	10.4	ROTATING ANODE ()	PHENIX	2021-09-29	-	-	-	-	-	N/A	-	-	3C-like proteinase	19.1	-		No	-	-	40.7	16.8	55.0		-
7sdc	1.85 Å	2022-11-09	X-ray	I80	SARS-CoV-2	NSP5 (3CLpro)		27.56%	30.02%	N/A	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-{[4-(trifluoromethoxy)phenoxy]acetyl}-3-azabicyclo[3.1.0]hexane-2-carboxamide	PROTEUM PLUS	98.40%	9.5	ROTATING ANODE ()	PHENIX	2021-09-29	-	-	-	-	-	N/A	-	-	3C-like proteinase	2.9	-		No	-	-	7.2	13.5	39.0		-
7wsg	3.03 Å	2022-11-09	Cryo-EM	-	SARS-CoV	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-29	36187898	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme	N/A	-		No	-		N/A	N/A	N/A		-
7wsh	2.89 Å	2022-11-09	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-29	36187898	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme	N/A	-		No	-		N/A	N/A	N/A		-
7x29	2.49 Å	2022-11-09	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-02-25	36246239	-	-	-	-	N/A	-	-	antibody S41 heavy chain; antibody S41 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7x2a	2.49 Å	2022-11-09	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-02-25	36246239	-	-	-	-	N/A	-	-	antibody S41 heavy chain; MERS-CoV Spike glycoprotein; antibody S41 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7xar	1.60 Å	2022-11-09	X-ray	BOV, NI	SARS-CoV-2	NSP5 (3CLpro)		17.32%	20.64%	5.90%	4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide; NICKEL (II) ION	4-fluoranyl-~{N}-[(2~{S})-1-[2-(2-fluoranylethanoyl)-2-[[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]methyl]hydrazinyl]-4-methyl-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide; NICKEL (II) ION	XDS	99.50%	18.3	Photon Factory (BL-5A)	REFMAC	2022-03-18	36229406	NI	-	-	-	N/A	-	-	3C-like proteinase	69.6	-		No	-		77.0	54.2	83.5		-
7zr2	1.45 Å	2022-11-09	X-ray	-	SARS-CoV-2	Spike		17.40%	20.90%	5.90%	Spike protein S2'	-	XDS	96.30%	9.4	ALBA (XALOC)	PHENIX	2022-05-03	36220405	-	-	-	-	N/A	-	-	Spike protein S2'; Spike protein S2',Chimeric protein mimic of SARS-CoV-2 Spike HR1	-	-		No	-		74.8	-	-		-
8ers	1.05 Å	2022-11-09	X-ray	WQO	SARS-CoV-2	NSP3: Macro	PanDDA fragment screening	14.22%	16.24%	3.00%	(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid	(1R,2S)-1-[(4-amino-2-hydroxybenzoyl)oxy]-2,3-dihydro-1H-indene-2-carboxylic acid	XDS	99.80%	25.06	ALS (8.3.1)	PHENIX	2022-10-12	-	-	-	-	-	N/A	-	-	Non-structural protein 3 - macrodomain	72.5	-		No	-	-	96.7	52.3	72.5		-
8h0x	2.57 Å	2022-11-09	Cryo-EM	BLA, EIC, NAG	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID; BILIVERDINE IX ALPHA	BILIVERDINE IX ALPHA; LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8h0y	2.85 Å	2022-11-09	Cryo-EM	NAG, BLA, EIC	SARS-CoV	Spike		N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA; LINOLEIC ACID		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8h0z	2.99 Å	2022-11-09	Cryo-EM	NAG, BLA, EIC	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA; LINOLEIC ACID	2-acetamido-2-deoxy-beta-D-glucopyranose; BILIVERDINE IX ALPHA; LINOLEIC ACID		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8h11	2.72 Å	2022-11-09	Cryo-EM	NAG	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8h12	3.45 Å	2022-11-09	Cryo-EM	NAG	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8h15	3.14 Å	2022-11-09	Cryo-EM	NAG	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8h16	3.36 Å	2022-11-09	Cryo-EM	NAG	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-30	37402591	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7q3q	2.30 Å	2022-11-16	X-ray	-	SARS-CoV-2	Spike		18.49%	22.02%	11.50%		-	XDS	99.40%	32.4	SOLEIL (PROXIMA 2)	PHENIX	2021-10-28	-	-	-	-	-	N/A	-	-	VHH-12; Spike glycoprotein	83.4	-		No	-	-	64.8	93.5	98.0		-
7q3r	1.92 Å	2022-11-16	X-ray	-	SARS-CoV-2	Spike		18.19%	20.90%	7.90%		-	XDS	99.80%	22.5	SOLEIL (PROXIMA 2)	PHENIX	2021-10-28	-	-	-	-	-	N/A	-	-	VHH-F04; VHH-G09; Spike glycoprotein	64.4	-		No	-	-	74.8	38.5	90.3		-
7six	3.16 Å	2022-11-16	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX; phenix.real_space_refine	2021-10-15	-	-	-	-	-	N/A	-	-	N3-1 Fab heavy chain; N3-1 Fab light chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7sj0	3.36 Å	2022-11-16	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2021-10-15	-	-	-	-	-	N/A	-	-	A7V3 Fab heavy chain; A7V3 Fab light chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8eyj	1.74 Å	2022-11-16	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		19.31%	23.39%	7.00%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	71.50%	8.9	LNLS SIRUS (MANACA)	REFMAC	2022-10-27	36941262	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	55.0	-		No	-		51.3	71.0	62.5		-
7q5e	1.67 Å	2022-11-23	X-ray	90I, NA	SARS-CoV-2	NSP5 (3CLpro)		17.07%	19.36%	7.20%	SODIUM ION; benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate	benzyl (S)-2-(((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)carbamoyl)pyrrolidine-1-carboxylate; SODIUM ION	XDS	100.00%	16.2	ELETTRA (11.2C)	PHENIX; PHENIX	2021-11-03	36332546	-	-	-	-	N/A	-	-	3C-like proteinase	75.9	-		No	-		85.8	50.5	93.9		-
7q5f	1.72 Å	2022-11-23	X-ray	90X, NA, NO3	SARS-CoV-2	NSP5 (3CLpro)		17.24%	19.58%	10.40%	NITRATE ION; SODIUM ION; (S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide	(S)-1-(2-(2,4-dichlorophenoxy)acetyl)-N-((S)-3,4-dioxo-1-((S)-2-oxopyrrolidin-3-yl)-4-(phenethylamino)butan-2-yl)pyrrolidine-2-carboxamide; SODIUM ION; NITRATE ION	XDS	100.00%	14.0	ELETTRA (11.2C)	PHENIX; PHENIX	2021-11-03	36332546	-	-	-	-	N/A	-	-	3C-like proteinase	68.7	-		No	-		84.5	48.8	79.5		-
7s83	2.52 Å	2022-11-23	X-ray	-	SARS-CoV-2	Spike		23.29%	27.81%	N/A		-	XDS	99.49%	11.57	APS (24-ID-E)	PHENIX	2021-09-17	36737435	-	-	-	-	N/A	-	-	ShAb01 VNAR; ShAb02 VNAR; Spike protein S1 - receptor binding domain (RBD)	5.0	-		No	-		15.0	21.0	33.8		-
7sww	3.13 Å	2022-11-23	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-21	-	-	-	-	-	N/A	-	-	SARS2-57 Fv light chain; Spike protein S1 - N-terminal domain (UNP residues 14-304); SARS2-57 Fv heavy chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7swx	3.13 Å	2022-11-23	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-11-21	-	-	-	-	-	N/A	-	-	SARS2-57 Fv heavy chain; SARS2-57 Fv light chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7u9o	3.40 Å	2022-11-23	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-11	36302375	-	-	-	-	N/A	-	-	NE12 Fab heavy chain; NE12 Fab light chain; Spike glycoprotein - Receptor-binding domain	N/A	-		No	-		N/A	N/A	N/A		-
7u9p	3.50 Å	2022-11-23	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-11	36302375	-	-	-	-	N/A	-	-	NA8 Fab light chain; Spike glycoprotein - Receptor-binding domain; NA8 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7wxz	2.41 Å	2022-11-23	X-ray	-	SARS-CoV-2	Spike		24.90%	29.37%	N/A		-	xia2	99.00%	10.62	SSRF (BL02U1)	PHENIX	2022-02-15	36357786	-	-	-	-	N/A	-	-	Spike protein S2'	2.3	-		No	-		8.9	23.9	22.6		-
7xc3	1.70 Å	2022-11-23	X-ray	-	SARS-CoV-2	NSP3(SUD-M)		19.63%	21.79%	15.40%		-	HKL-2000	99.30%	29.0	SSRF (BL18U1)	PHENIX	2022-03-22	36356292	-	-	-	-	N/A	-	-	Papain-like protease nsp3	84.5	-		No	-		67.2	95.7	99.4		-
7xc4	2.10 Å	2022-11-23	X-ray	BJ6	SARS-CoV-2	NSP3(SUD-M)		17.94%	21.39%	N/A	3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid	3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid	HKL-2000	99.50%	24.0	SSRF (BL18U1)	PHENIX	2022-03-22	36356292	-	-	-	-	N/A	-	-	Papain-like protease nsp3	79.9	-		No	-		70.8	74.7	97.1		-
7xmx	3.62 Å	2022-11-23	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-04-27	36075908	-	-	-	-	N/A	-	-	F61 heavy chain; F61 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xmz	3.25 Å	2022-11-23	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-04-27	36075908	-	-	-	-	N/A	-	-	D2 heavy chain; Spike glycoprotein; D2 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7xst	3.04 Å	2022-11-23	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-15	36075908	-	-	-	-	N/A	-	-	D2 heavy chain; Spike glycoprotein; F61 heavy chain; F61 light chain; D2 light chain	N/A	-		No	-		N/A	N/A	N/A		-
8a4y	1.10 Å	2022-11-23	X-ray	QO6	SARS-CoV-2	NSP1		14.68%	16.64%	N/A	N-(2,3-dihydro-1H-inden-5-yl)acetamide	N-(2,3-dihydro-1H-inden-5-yl)acetamide	autoPROC	99.90%	18.4	ESRF (MASSIF-1)	PHENIX	2022-06-13	36412088	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	57.3	-		No	-		95.9	23.7	69.5		-
8a55	0.99 Å	2022-11-23	X-ray	-	SARS-CoV-2	NSP1		15.34%	17.34%	N/A		-	XDS	99.49%	12.73	ESRF (ID30B)	PHENIX	2022-06-14	36293303	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	43.0	-		No	-		94.3	26.9	40.5		-
8ays	1.37 Å	2022-11-23	X-ray	92G	SARS-CoV-2	NSP1		14.29%	15.00%	N/A	4-(2-amino-1,3-thiazol-4-yl)phenol	4-(2-amino-1,3-thiazol-4-yl)phenol	DIALS	93.70%	23.7	ESRF (MASSIF-1)	PHENIX	2022-09-03	36293303	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	53.5	-		No	-		98.3	42.6	40.9		-
8az8	1.18 Å	2022-11-23	X-ray	OEI	SARS-CoV-2	NSP1		16.37%	20.69%	N/A	2-[(phenylmethyl)amino]ethanol	2-[(phenylmethyl)amino]ethanol	XDS	92.80%	18.3	ESRF (MASSIF-1)	PHENIX	2022-09-05	36293303	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	51.1	-		No	-		76.7	23.5	77.0		-
8bh5	2.38 Å	2022-11-23	X-ray	PO4	SARS-CoV-2	Spike		18.57%	23.25%	24.00%	PHOSPHATE ION	PHOSPHATE ION	xia2	94.80%	6.3	Diamond (I03)	PHENIX	2022-10-29	36319620	-	-	-	-	N/A	-	-	Spike protein S1; Nanobody C1; Beta-27 heavy chain; Beta-27 light chain	39.2	-		No	-		52.6	14.9	86.9		-
8e4j	1.90 Å	2022-11-23	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		16.95%	20.68%	8.50%		-	CrysalisPro	95.80%	16.02	ROTATING ANODE ()	PHENIX	2022-08-18	36334779	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	45.5	-		No	-		76.8	24.1	65.6		-
8e4r	1.80 Å	2022-11-23	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)		16.48%	19.50%	6.60%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	CrysalisPro	99.20%	21.18	ROTATING ANODE ()	PHENIX	2022-08-18	36334779	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	63.5	-		No	-		84.9	46.7	70.0		-
8f44	1.65 Å	2022-11-23	X-ray	XFR, PG4, XFF	SARS-CoV-2	NSP5 (3CLpro)		18.10%	21.90%	6.20%	(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	(1R,2S)-1-hydroxy-2-[(N-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucyl)amino]-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; TETRAETHYLENE GLYCOL; (2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	XDS	99.90%	12.2	NSLS-II (19-ID)	PHENIX	2022-11-10	-	-	-	-	-	N/A	-	-	3C-like proteinase - Full Length	73.2	-		No	-	-	65.9	78.4	79.1		-
8f45	1.65 Å	2022-11-23	X-ray	XF8	SARS-CoV-2	NSP5 (3CLpro)		17.17%	20.37%	6.40%	(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	(2-methyl-2-phenylsulfanyl-propyl) ~{N}-[(2~{S})-1-[[(2~{S},3~{S})-3-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate	XDS	100.00%	30.6	SEALED TUBE ()	PHENIX	2022-11-10	-	-	-	-	-	N/A	-	-	3C-like proteinase	75.5	-		No	-	-	79.1	63.6	86.3		-
8f46	1.50 Å	2022-11-23	X-ray	XCK, PG4	SARS-CoV-2	NSP5 (3CLpro)		18.54%	22.08%	4.90%	N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide	N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-N~2~-{[2-methyl-2-(phenylsulfanyl)propoxy]carbonyl}-L-leucinamide; TETRAETHYLENE GLYCOL	XDS	99.80%	14.2	NSLS-II (19-ID)	PHENIX	2022-11-10	-	-	-	-	-	N/A	-	-	3C-like proteinase	73.1	-		No	-	-	64.4	78.4	80.4		-
7u6r	2.50 Å	2022-11-30	Cryo-EM	NAG	PDF-2180	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-03-05	36477529	-	-	-	-	N/A	-	-	PDF-2180 Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7uo4	3.38 Å	2022-11-30	Cryo-EM	NWX	SARS-CoV-2	NSP7/NSP8/NSP12		N/A	N/A	N/A	[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate; Product RNA (35-MER); Template RNA (55-MER)	[[(2~{R},3~{S},4~{R},5~{R})-5-(4-azanylpyrrolo[2,1-f][1,2,4]triazin-7-yl)-5-cyano-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate		-	-	()	PHENIX	2022-04-12	36725929	ZN; MG	-	-	-	N/A	-	-	Non-structural protein 7; RNA-directed RNA polymerase - UNP residues 4393-5324; Product RNA (35-MER); Template RNA (55-MER); Non-structural protein 8	N/A	-		No	-		N/A	N/A	N/A	Template RNA (55-MER); Product RNA (35-MER)	-
7uo7	3.09 Å	2022-11-30	Cryo-EM	ATP	SARS-CoV-2	NSP7/NSP8/NSP12		N/A	N/A	N/A	ADENOSINE-5'-TRIPHOSPHATE; Template RNA (55-MER); Product RNA (35-MER)	ADENOSINE-5'-TRIPHOSPHATE		-	-	()	PHENIX	2022-04-12	36725929	ZN; MG	-	-	-	N/A	-	-	Template RNA (55-MER); Product RNA (35-MER); Non-structural protein 7; Non-structural protein 8; RNA-directed RNA polymerase - UNP residues 4393-5324	N/A	-		No	-		N/A	N/A	N/A	Template RNA (55-MER); Product RNA (35-MER)	-
7uo9	3.13 Å	2022-11-30	Cryo-EM	UTP	SARS-CoV-2	NSP7/NSP8/NSP12		N/A	N/A	N/A	Product RNA (35-MER); URIDINE 5'-TRIPHOSPHATE; Template RNA (55-MER)	URIDINE 5'-TRIPHOSPHATE		-	-	()	PHENIX	2022-04-12	36725929	MG; ZN	-	-	-	N/A	-	-	Non-structural protein 8; Non-structural protein 7; Product RNA (35-MER); Template RNA (55-MER); RNA-directed RNA polymerase - UNP residues 4393-5324	N/A	-		No	-		N/A	N/A	N/A	Product RNA (35-MER); Template RNA (55-MER)	-
7uob	2.68 Å	2022-11-30	Cryo-EM	L2B, GTP	SARS-CoV-2	NSP7/NSP8/NSP12		N/A	N/A	N/A	3'-DEOXYURIDINE-5'-MONOPHOSPHATE; Product RNA (35-MER); Template RNA (55-MER); GUANOSINE-5'-TRIPHOSPHATE	3'-DEOXYURIDINE-5'-MONOPHOSPHATE; GUANOSINE-5'-TRIPHOSPHATE		-	-	()	PHENIX	2022-04-12	36725929	ZN; MG	-	-	-	N/A	-	-	Template RNA (55-MER); RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 7; Non-structural protein 8; Product RNA (35-MER)	N/A	-		No	-		N/A	N/A	N/A	Product RNA (35-MER); Template RNA (55-MER)	-
7uoe	2.67 Å	2022-11-30	Cryo-EM	L2B, CTP	SARS-CoV-2	NSP7/NSP8/NSP12		N/A	N/A	N/A	3'-DEOXYURIDINE-5'-MONOPHOSPHATE; Template RNA (55-MER); Product RNA (35-MER); CYTIDINE-5'-TRIPHOSPHATE	3'-DEOXYURIDINE-5'-MONOPHOSPHATE; CYTIDINE-5'-TRIPHOSPHATE		-	-	()	PHENIX	2022-04-12	36725929	ZN; MG	-	-	-	N/A	-	-	Non-structural protein 7; Non-structural protein 8; RNA-directed RNA polymerase - UNP residues 4393-5324; Template RNA (55-MER); Product RNA (35-MER)	N/A	-		No	-		N/A	N/A	N/A	Template RNA (55-MER); Product RNA (35-MER)	-
7wop	3.51 Å	2022-11-30	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-22	36207299	-	-	-	-	N/A	-	-	GW01; Spike protein S1 - RBD; 16L9	N/A	-		No	-		N/A	N/A	N/A		-
7woq	3.47 Å	2022-11-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-22	36207299	-	-	-	-	N/A	-	-	Spike glycoprotein; 16L9 Fv	N/A	-		No	-		N/A	N/A	N/A		-
7wor	3.70 Å	2022-11-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-22	36207299	-	-	-	-	N/A	-	-	16L9 Fv; Spike glycoprotein; GW01 Fv	N/A	-		No	-		N/A	N/A	N/A		-
7wos	3.91 Å	2022-11-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-22	36207299	-	-	-	-	N/A	-	-	Spike glycoprotein; 16L9 Fv; GW01 Fv	N/A	-		No	-		N/A	N/A	N/A		-
7wou	3.47 Å	2022-11-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-22	36207299	-	-	-	-	N/A	-	-	Spike glycoprotein; 16L9 Fv; GW01 Fv	N/A	-		No	-		N/A	N/A	N/A		-
7wov	3.87 Å	2022-11-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-22	36207299	-	-	-	-	N/A	-	-	GW01 Fv; Spike glycoprotein; 16L9 Fv	N/A	-		No	-		N/A	N/A	N/A		-
7wow	6.11 Å	2022-11-30	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-22	36207299	-	-	-	-	N/A	-	-	Spike glycoprotein; GW01 Fv; 16L9 Fv	N/A	-		No	-		N/A	N/A	N/A		-
7y75	3.10 Å	2022-11-30	Cryo-EM	3PH, NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE; 2-acetamido-2-deoxy-beta-D-glucopyranose	1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-21	36384914	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Sodium- and chloride-dependent transporter XTRP3; Spike protein S1 - BA.2 RBD	N/A	-		No	-		N/A	N/A	N/A		-
7zv5	2.00 Å	2022-11-30	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.14%	23.98%	N/A	inhibitor TRIP5	-	autoPROC	82.20%	14.4	ESRF (MASSIF-1)	BUSTER	2022-05-13	36332548	-	-	-	-	N/A	-	-	3C-like proteinase nsp5; inhibitor TRIP5	40.0	-		No	-		45.2	15.8	94.8		-
8dya	3.67 Å	2022-11-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-08-03	36356052	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8gwo	3.80 Å	2022-11-30	Cryo-EM	GNP	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12/NSP13		N/A	N/A	N/A	template; PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER; RNA (25-MER)	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER		-	-	()	PHENIX	2022-09-17	36335936	ZN	-	-	-	N/A	-	-	RNA (25-MER); template; Helicase - UNP residues 5325-5925; Non-structural protein 9; Non-structural protein 8 - UNP residues 3943-4140; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 7 - UNP residues 3860-3942	N/A	-		No	-		N/A	N/A	N/A	RNA (25-MER)	-
7lcr	1.95 Å	2022-12-07	X-ray	XTM	SARS-CoV-2	NSP5 (3CLpro)		23.84%	27.67%	N/A	N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-{[(3-fluorophenyl)methoxy]carbonyl}-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	99.82%	8.1	SSRL (BL12-2)	PHENIX	2021-01-11	34118724	-	-	-	-	N/A	-	-	3C-like proteinase	2.2	-		No	-		15.8	12.1	27.1		-
7tyz	3.51 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	DARPin FSR22; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-15	36411391	-	-	-	-	N/A	-	-	Spike glycoprotein; DARPin FSR22	N/A	-		No	-		N/A	N/A	N/A		-
7tz0	4.17 Å	2022-12-07	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A	DARPin FSR22	-		-	-	()	PHENIX	2022-02-15	36411391	-	-	-	-	N/A	-	-	DARPin FSR22; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7uz4	3.10 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	M8a-3 Fab heavy chain; Spike glycoprotein - Spike 6P; M8a-3 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7uz5	3.20 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	M8a-6 Fab heavy chain; M8a-6 Fab light chain; Spike glycoprotein - Spike 6P	N/A	-		No	-		N/A	N/A	N/A		-
7uz6	2.80 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	M8a-28 Fab heavy chain; Spike glycoprotein - Spike 6P; M8a-28 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7uz7	2.90 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	M8a-31 Fab light chain; M8a-31 Fab heavy chain; Spike glycoprotein - Spike 6P	N/A	-		No	-		N/A	N/A	N/A		-
7uz8	3.10 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	M8a-31 Fab heavy chain; Spike glycoprotein - Omicron BA.1 Spike 6P; M8a-31 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7uz9	3.50 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	Spike glycoprotein - Spike 6P; M8a-34 Fab heavy chain; M8a-34 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7uza	3.10 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	Spike glycoprotein - Spike 6P; HSW-1 Fab light chain; HSW-1 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7uzb	4.10 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	Spike glycoprotein - Spike S1 domain; HSW-2 Fab light chain; HSW-2 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7vhn	3.80 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wvl	3.00 Å	2022-12-07	X-ray	-	SARS-CoV-2	Spike		23.26%	27.94%	9.30%		-	iMOSFLM	100.00%	7.3	ESRF (MASSIF-1)	PHENIX	2022-02-10	36508467	-	-	-	-	N/A	-	-	P4A2 Fab heavy chain; P4A2 Fab Light Chain; Spike protein S1 - Receptor binding domain	23.1	-		No	-		14.3	83.5	23.5		-
7x2l	2.40 Å	2022-12-07	X-ray	-	SARS-CoV-2	Spike		23.01%	28.70%	N/A		-	HKL-2000	97.37%	23.43	SSRF (BL02U1)	PHENIX	2022-02-25	36575191	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; Nanobody 3-2A2-4	13.1	-		No	-		11.0	23.8	62.7		-
7x8w	3.10 Å	2022-12-07	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX; phenix.real_space_refine	2022-03-15	36406861	-	-	-	-	N/A	-	-	Ab354 heavy chain; Spike glycoprotein; Ab354 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7x8y	4.10 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-03-15	36406861	-	-	-	-	N/A	-	-	Ab159 light chain; Ab159 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7x8z	4.10 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-03-15	36406861	-	-	-	-	N/A	-	-	Ab188 heavy chain; Spike glycoprotein; Ab188 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7x90	4.20 Å	2022-12-07	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX; phenix.real_space_refine	2022-03-15	36406861	-	-	-	-	N/A	-	-	Ab326 heavy chain; Spike glycoprotein; Ab326 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7x91	4.30 Å	2022-12-07	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	phenix.real_space_refine; PHENIX	2022-03-15	36406861	-	-	-	-	N/A	-	-	Spike glycoprotein; An Fv-clasp version of the Ab496 light chain; An Fv-clasp version of the Ab496 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7x92	4.10 Å	2022-12-07	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	phenix.real_space_refine; PHENIX	2022-03-15	36406861	-	-	-	-	N/A	-	-	Spike glycoprotein; Ab445 light chain; Ab445 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7zv7	1.34 Å	2022-12-07	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.11%	22.00%	2.80%	inhibitor 57	-	autoPROC	94.20%	18.0	ESRF (MASSIF-1)	BUSTER	2022-05-13	36332548	-	-	-	-	N/A	-	-	inhibitor 57; 3C-like proteinase nsp5	64.4	-		No	-		65.0	42.1	96.7		-
7zv8	1.94 Å	2022-12-07	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.18%	23.08%	5.20%	inhibitor 58	-	autoPROC	94.00%	10.0	ESRF (MASSIF-1)	BUSTER	2022-05-13	36332548	-	-	-	-	N/A	-	-	3C-like proteinase nsp5; inhibitor 58	78.2	-		No	-		54.3	91.0	91.6		-
8bsd	1.95 Å	2022-12-07	X-ray	TBN, MES	SARS-CoV-2	NSP10/NSP16		18.04%	20.75%	6.39%	'2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	'2-(4-AMINO-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-HYDROXYMETHYL-TETRAHYDRO-FURAN-3,4-DIOL; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	98.86%	8.3	PETRA III, DESY (P11)	PHENIX; PHENIX	2022-11-24	-	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase nsp16; Non-structural protein 10	74.2	-		No	-	-	76.2	73.1	76.6		-
8dw2	4.11 Å	2022-12-07	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A	SR22	-		-	-	()	PHENIX	2022-07-30	36411391	-	-	-	-	N/A	-	-	Antibody S309 light chain; SR22; Spike protein S1 - receptor binding domain (UNP residues 330-526); Antibody CR3022 light chain; Antibody CR3022 heavy chain; Antibody S309 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8dw3	4.26 Å	2022-12-07	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-07-30	36411391	-	-	-	-	N/A	-	-	antibody CR3022 heavy chain; antibody S309 heavy chain; Spike protein S1 - receptor binding domain (UNP residues 330-526); Anti-SARS-CoV-2 DARPin SR16m; Antibody S309 light chain; antibody CR3022 light chain	N/A	-		No	-		N/A	N/A	N/A		-
8dw9	4.00 Å	2022-12-07	X-ray	-	SARS-CoV-2	Spike		30.00%	38.07%	95.70%		-	XDS	99.80%	2.9	APS (24-ID-C)	PHENIX	2022-08-01	36354024	-	-	-	-	N/A	-	-	D29 Heavy chain; D29 Fab light chain; Spike protein S1 - receptor binding domain (UNP residues 333-527)	-	-		No	-		3.5	-	68.0		-
8dwa	3.20 Å	2022-12-07	X-ray	NAG	SARS-CoV-2	Spike		23.48%	29.75%	51.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	6.9	APS (24-ID-C)	REFMAC	2022-08-01	36354024	-	-	-	-	N/A	-	-	P1D9 Heavy chain; P1D9 Light chain; Spike protein S1 - receptor binding domain (UNP residues 335-515)	4.4	-		No	-		7.9	46.3	13.2		-
8dxs	3.76 Å	2022-12-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-08-03	36354024	-	-	-	-	N/A	-	-	P2B4 Heavy chain; P2B4 Light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8ey2	3.50 Å	2022-12-07	Cryo-EM	-	SARS-CoV-2	NSP5 (3CLpro)		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-10-26	-	-	-	-	-	N/A	-	-	3C-like proteinase - UNP residues 3259-3569	N/A	-		No	-	-	N/A	N/A	N/A		-
8gwb	2.75 Å	2022-12-07	Cryo-EM	MN	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12/NSP13		N/A	N/A	N/A	MANGANESE (II) ION	MANGANESE (II) ION		-	-	()	PHENIX	2022-09-16	36335936	ZN; MN	-	-	-	N/A	-	-	Non-structural protein 8 - UNP residues 3943-4140; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 7 - UNP residues 3860-3942; primer; template; Helicase - UNP residues 5325-5925; Non-structural protein 9 - UNP residues 4141-4253; RNA (5'-R(PAPU)-3')	N/A	-		No	-		N/A	N/A	N/A		-
8gz5	1.70 Å	2022-12-07	X-ray	-	SARS-CoV-2	Spike		17.13%	18.90%	N/A		-	XDS	100.00%	12.2	SPring-8 (BL44B2)	PHENIX	2022-09-25	36413757	-	-	-	-	N/A	-	-	Nanobody P17; Spike protein S1	85.3	-		No	-		88.2	93.5	85.9		-
7w9g	2.50 Å	2022-12-14	X-ray	SE	SARS-CoV-2	NSP5 (3CLpro)		19.50%	24.68%	N/A	SELENIUM ATOM	SELENIUM ATOM	xia2	100.00%	8.9	RRCAT INDUS-2 (PX-BL21)	PHENIX; PHENIX	2021-12-09	36650888	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	63.3	-		No	-		38.5	78.2	84.7		-
7wtf	3.00 Å	2022-12-14	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-04	35672388	-	-	-	-	N/A	-	-	Spike glycoprotein; Light chain of XGv051; Heavy chain of XGv051	N/A	-		No	-		N/A	N/A	N/A		-
7wtg	3.80 Å	2022-12-14	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-02-04	35672388	-	-	-	-	N/A	-	-	Light chain of XGv051; Heavy chain of XGv051; Spike protein S1 - RBD	N/A	-		No	-		N/A	N/A	N/A		-
7wth	4.30 Å	2022-12-14	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-02-04	35672388	-	-	-	-	N/A	-	-	Heavy chain of XGv264; Light chain of XGv264; Spike protein S1 - RBD	N/A	-		No	-		N/A	N/A	N/A		-
7wtj	4.20 Å	2022-12-14	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-02-04	35672388	-	-	-	-	N/A	-	-	Heavy chain of XGv286; Spike protein S1 - RBD; Light chain of XGv286	N/A	-		No	-		N/A	N/A	N/A		-
7wtk	3.60 Å	2022-12-14	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-04	35672388	-	-	-	-	N/A	-	-	Heavy chain of XGv286; Spike glycoprotein; Light chain of XGv286	N/A	-		No	-		N/A	N/A	N/A		-
7x2m	1.80 Å	2022-12-14	X-ray	-	SARS-CoV-2	Spike		17.96%	20.72%	N/A		-	HKL-3000	99.93%	33.27	SSRF (BL18U1)	PHENIX	2022-02-25	36575191	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; 1-2C7	43.5	-		No	-		76.3	14.9	71.3		-
8gwg	3.37 Å	2022-12-14	Cryo-EM	GTP	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12/NSP13		N/A	N/A	N/A	Template; primer; GUANOSINE-5'-TRIPHOSPHATE	GUANOSINE-5'-TRIPHOSPHATE		-	-	()	PHENIX	2022-09-17	36335936	ZN	-	-	-	N/A	-	-	RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Non-structural protein 7 - UNP residues 3860-3942; primer; Template; Helicase - UNP residues 5325-5925; Non-structural protein 9 - UNP residues 4141-4253	N/A	-		No	-		N/A	N/A	N/A		-
8gwi	3.18 Å	2022-12-14	Cryo-EM	GTP	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12/NSP13		N/A	N/A	N/A	RNA (27-MER); GUANOSINE-5'-TRIPHOSPHATE; primer	GUANOSINE-5'-TRIPHOSPHATE		-	-	()	PHENIX	2022-09-17	36335936	ZN	-	-	-	N/A	-	-	Non-structural protein 8 - UNP residues 3943-4140; Non-structural protein 9; Helicase - UNP residues 5325-5925; RNA (27-MER); primer; Non-structural protein 7 - UNP residues 3860-3942; RNA-directed RNA polymerase - UNP residues 4393-5324	N/A	-		No	-		N/A	N/A	N/A	RNA (27-MER)	-
8gwn	3.38 Å	2022-12-14	Cryo-EM	GNP	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12/NSP13		N/A	N/A	N/A	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER		-	-	()	PHENIX	2022-09-17	36335936	ZN	-	-	-	N/A	-	-	Non-structural protein 9; RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Non-structural protein 7 - UNP residues 3860-3942; primer; template; Helicase - UNP residues 5325-5925	N/A	-		No	-		N/A	N/A	N/A		-
7t72	3.18 Å	2022-12-21	X-ray	NAG	SARS-CoV-2	Spike		23.71%	30.84%	7.90%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.30%	21.4	Australian Synchrotron (MX2)	PHENIX	2021-12-14	36755042	-	-	-	-	N/A	-	-	Antibody light chain; Spike protein S1 - Receptor Binding Domain (RBD); Antibody heavy chain	26.5	-		No	-		6.1	81.4	41.0		-
7wd1	2.50 Å	2022-12-21	X-ray	-	SARS-CoV-2	Spike		20.06%	23.95%	18.00%	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	-	HKL-2000	100.00%	14.229	SSRF (BL17U)	PHENIX	2021-12-20	36702124	-	-	-	-	N/A	-	-	Spike protein S1; R14	45.3	-		No	-		45.4	25.2	95.5		-
7wd2	2.69 Å	2022-12-21	X-ray	NAG	SARS-CoV-2	Spike		20.38%	22.93%	17.60%	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	16.4	SSRF (BL17U)	PHENIX	2021-12-20	36702124	-	-	-	-	N/A	-	-	Anti-RON nanobody; Spike protein S1	50.7	-		No	-		55.7	36.4	84.3		-
7wnm	2.70 Å	2022-12-21	X-ray	NAG	SARS-CoV-2	Spike		19.38%	22.25%	17.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.70%	12.7	SSRF (BL02U1)	PHENIX	2022-01-18	35013100	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1 - Receptor-binding domain	42.7	-		No	-		62.7	38.2	60.2		-
7wti	3.80 Å	2022-12-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-04	35672388	-	-	-	-	N/A	-	-	Heavy chain of XGv264; Light chain of XGv264; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7x2j	2.40 Å	2022-12-21	X-ray	NAG	SARS-CoV	Spike		19.69%	23.48%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	99.77%	25.45	SSRF (BL18U1)	PHENIX	2022-02-25	36575191	-	-	-	-	N/A	-	-	Spike protein S1; Nb70	27.3	-		No	-		50.3	50.8	29.1		-
7x2k	2.40 Å	2022-12-21	X-ray	NAG	SARS-CoV-2	Spike		19.50%	24.49%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	99.54%	17.18	SSRF (BL18U1)	PHENIX	2022-02-25	36575191	-	-	-	-	N/A	-	-	1F11-L; Spike protein S1 - RBD; 1F11-H; Nb70	38.9	-		No	-		40.4	76.2	37.1		-
7xa7	3.31 Å	2022-12-21	X-ray	NAG	SARS-CoV-2	Spike		23.28%	25.37%	21.80%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	96.50%	8.8	NFPSS (BL19U1)	PHENIX	2022-03-17	35874946	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme; Spike protein S1 - Receptor binding domain	28.1	-		No	-		32.0	41.6	58.3		-
7xrs	1.93 Å	2022-12-21	X-ray	HUR	SARS-CoV-2	NSP5 (3CLpro)		19.96%	24.31%	5.70%	N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	autoPROC	98.90%	8.1	SSRF (BL02U1)	PHENIX	2022-05-11	36146880	-	-	-	-	N/A	-	-	Replicase polyprotein 1a	66.2	-		No	-		41.9	93.1	72.4		-
7xry	1.99 Å	2022-12-21	X-ray	HUR	MERS-CoV	NSP5 (3CLpro)		22.36%	25.35%	6.20%	N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	autoPROC	99.90%	11.0	SSRF (BL02U1)	PHENIX	2022-05-12	36146880	-	-	-	-	N/A	-	-	ORF1a	17.2	-		No	-		32.2	16.1	59.8		-
7ygq	2.04 Å	2022-12-21	X-ray	HUR	SARS-CoV	NSP5 (3CLpro)		20.54%	23.50%	2.80%	N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-[[(2S)-1-(1,3-benzothiazol-2-yl)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	autoPROC	96.40%	9.3	SSRF (BL02U1)	PHENIX; PHENIX	2022-07-12	36146880	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	42.2	-		No	-		50.2	59.3	50.8		-
8d47	2.00 Å	2022-12-21	X-ray	PO4	SARS-CoV-2	Spike		18.36%	23.78%	11.70%	SARS-CoV-2 fusion peptide; PHOSPHATE ION	PHOSPHATE ION	XDS	97.90%	6.1	SSRL (BL12-1)	PHENIX	2022-06-01	36701425	-	-	-	-	N/A	-	-	fp.006 heavy chain; fp.006 light chain; SARS-CoV-2 fusion peptide	37.9	-		No	-		47.2	53.3	51.4		-
8hda	1.93 Å	2022-12-21	X-ray	-	SARS-CoV-2	NSP3: Ubl1		18.41%	22.87%	9.40%		-	HKL-3000	99.30%	10.7	SSRF (BL19U1)	REFMAC	2022-11-03	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3	62.8	-		No	-	-	56.4	59.4	84.4		-
7qka	1.80 Å	2022-12-28	X-ray	UED	SARS-CoV-2	NSP5 (3CLpro)		16.30%	20.72%	4.32%	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	XDS	98.89%	23.4	PETRA III, DESY (P11)	PHENIX	2021-12-17	37853179	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	73.4	-		No	-		76.3	73.6	73.8		-
7vhh	3.80 Å	2022-12-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-09-22	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wch	3.19 Å	2022-12-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2021-12-20	-	-	-	-	-	N/A	-	-	SWA9H; SWA9L; Surface glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wck	3.49 Å	2022-12-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-20	-	-	-	-	-	N/A	-	-	SWA9H; Surface glycoprotein; SWA9L	N/A	-		No	-	-	N/A	N/A	N/A		-
7wcp	3.01 Å	2022-12-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-20	-	-	-	-	-	N/A	-	-	SWC11L; Surface glycoprotein; SWC11H	N/A	-		No	-	-	N/A	N/A	N/A		-
7wcu	3.09 Å	2022-12-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-20	-	-	-	-	-	N/A	-	-	Surface glycoprotein; SWC11H; SWC11L	N/A	-		No	-	-	N/A	N/A	N/A		-
7wfc	2.60 Å	2022-12-28	X-ray	-	HKU1-CoV	NSP3: PLpro		17.11%	25.11%	9.20%		-	CrysalisPro	99.31%	11.77	ROTATING ANODE ()	PHENIX	2021-12-26	37130166	ZN	-	-	-	N/A	-	-	60S ribosomal protein L40; Papain-like protease	31.4	-		No	-		34.1	46.4	58.3		-
7wo2	1.96 Å	2022-12-28	X-ray	40I	SARS-CoV-2	NSP5 (3CLpro)		18.20%	21.75%	N/A	N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide	N-[(2S)-3-methyl-1-[[(2S)-4-methyl-1-oxidanylidene-1-[[(2S)-1-oxidanylidene-3-[(3S}-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]furan-2-carboxamide		100.00%	53.7	SSRF (BL19U1)	PHENIX	2022-01-20	35216507	-	-	-	-	N/A	-	-	3C-like proteinase	42.6	-		No	-		67.5	32.6	60.8		-
7ykj	3.50 Å	2022-12-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-07-22	36354024	-	-	-	-	N/A	-	-	P3E6 heavy chain; Spike glycoprotein; P3E6 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7zqv	2.26 Å	2022-12-28	X-ray	XNV	SARS-CoV-2	NSP5 (3CLpro)		19.02%	24.05%	N/A		ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate	XDS	89.50%	4.5	ESRF (BM30A)	REFMAC	2022-05-03	36336176	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	31.0	-		No	-		44.4	54.1	39.4		-
7zqw	2.53 Å	2022-12-28	X-ray	XNV	SARS-CoV	NSP5 (3CLpro)		21.54%	28.91%	N/A	ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate	ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate	XDS	91.90%	10.1	ALBA (XALOC)	REFMAC	2022-05-03	36336176	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	12.0	-		No	-		10.2	59.6	24.7		-
8aou	-	2022-12-28	NMR	-	SARS-CoV-2	NSP1		N/A	N/A	N/A		-		-	-	()		2022-08-08	36610391	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	N/A	-		No	-		N/A	N/A	N/A		-
8b0s	2.42 Å	2022-12-28	X-ray	AU	SARS-CoV-2	NSP5 (3CLpro)		25.35%	27.27%	16.00%	GOLD ION	GOLD ION	XDS	94.50%	5.3	SEALED TUBE ()	PHENIX	2022-09-08	36421689	AU	-	-	-	N/A	-	-	3C-like proteinase nsp5	8.0	-		No	-		18.1	30.8	32.9		-
8b0t	2.40 Å	2022-12-28	X-ray	AU	SARS-CoV-2	NSP5 (3CLpro)		23.73%	27.55%	18.00%	GOLD ION	GOLD ION	XDS	94.10%	5.9	SEALED TUBE ()	PHENIX	2022-09-08	36421689	AU	-	-	-	N/A	-	-	3C-like proteinase nsp5	8.1	-		No	-		16.4	23.7	42.1		-
7wgv	3.20 Å	2023-01-04	Cryo-EM	BLR, EIC, NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid; LINOLEIC ACID	3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid; LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-12-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wgx	3.50 Å	2023-01-04	Cryo-EM	BLR, NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid	3-[5-[(Z)-(4-ethenyl-3-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-2-[[5-[(Z)-(3-ethenyl-4-methyl-5-oxidanylidene-pyrrol-2-ylidene)methyl]-3-(3-hydroxy-3-oxopropyl)-4-methyl-1H-pyrrol-2-yl]methyl]-4-methyl-1H-pyrrol-3-yl]propanoic acid; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-12-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wgy	4.00 Å	2023-01-04	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-12-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7wgz	4.50 Å	2023-01-04	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2021-12-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7y76	3.20 Å	2023-01-04	Cryo-EM	3PH, NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose; 1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE	1,2-DIACYL-GLYCEROL-3-SN-PHOSPHATE; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-21	36384914	ZN	-	-	-	N/A	-	-	SIT1; Angiotensin-converting enzyme 2; Spike protein S1 - BA.4 RBD	N/A	-		No	-		N/A	N/A	N/A		-
7tek	2.20 Å	2023-01-11	X-ray	I2D	SARS-CoV-2	NSP5 (3CLpro)		20.80%	27.38%	N/A	N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide	N-[(3-chlorophenyl)methyl]-N-[4-(1H-pyrazol-4-yl)phenyl]-2-(pyridin-3-yl)acetamide	HKL-2000	99.37%	26.62	APS (21-ID-F)	PHENIX	2022-01-05	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	17.4	-	-		-
7tel	2.40 Å	2023-01-11	X-ray	I2N	SARS-CoV-2	NSP5 (3CLpro)		19.89%	25.99%	N/A	N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide	N-[(3-chloro-5-fluorophenyl)methyl]-N-[4-(1H-imidazol-4-yl)phenyl]-2-(isoquinolin-4-yl)acetamide	HKL-2000	98.48%	15.85	APS (21-ID-F)	PHENIX	2022-01-05	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.8	-	-		-
7uzc	2.20 Å	2023-01-11	X-ray	-	SARS-CoV-2	Spike		17.15%	24.33%	12.00%		-	XDS	98.60%	9.9	SSRL (BL12-2)	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; M8a-34 Fab light chain; M8a-34 Fab heavy chain	-	-		No	-		41.7	-	-		-
7uzd	3.00 Å	2023-01-11	X-ray	-	SARS-CoV-2	Spike		23.09%	27.27%	23.30%		-	XDS	99.80%	12.3	SSRL (BL12-2)	PHENIX	2022-05-08	36370711	-	-	-	-	N/A	-	-	HSW-2 Fab light chain; HSW-2 Fab heavy chain; Spike protein S1 - RBD	-	-		No	-		18.1	-	-		-
7x4i	3.38 Å	2023-01-11	X-ray	-	SARS-CoV	Spike		26.70%	32.09%	20.00%		-	autoPROC	99.50%	8.7	SSRF (BL02U1)	PHENIX	2022-03-02	36494344	-	-	-	-	N/A	-	-	Spike glycoprotein; nanobody aSA3	-	-		No	-		4.9	-	-		-
7xbf	3.51 Å	2023-01-11	X-ray	NAG	RshSTT182/200	Spike		19.93%	23.27%	13.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.90%	9.0	SSRF (BL02U1)	PHENIX	2022-03-21	36519268	ZN	-	-	-	N/A	-	-	RshSTT182/200 coronavirus receptor binding domain insert2; Processed angiotensin-converting enzyme 2	-	-		No	-		52.4	-	-		-
7xbg	3.37 Å	2023-01-11	X-ray	NAG	RshSTT182/200	Spike		26.92%	27.36%	15.10%	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	100.00%	10.5	SSRF (BL02U1)	PHENIX	2022-03-21	36519268	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; RshSTT182/200 coronavirus receptor binding domain insert2 mutant	-	-		No	-		17.5	-	-		-
7xbh	3.02 Å	2023-01-11	X-ray	NAG	RshSTT182/200	Spike		20.06%	23.46%	16.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.80%	9.4	SSRF (BL02U1)	PHENIX	2022-03-21	36519268	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; RshSTT182/200 coronavirus receptor binding domain	-	-		No	-		50.4	-	-		-
7xnf	2.79 Å	2023-01-11	X-ray	-	Pangolin CoV	Spike		31.96%	37.95%	15.30%		-	HKL-2000	99.80%	11.905	SSRF (BL19U1)	PHENIX	2022-04-28	36493785	-	-	-	-	N/A	-	-	P2C-1F11 Heavy Chain; P2C-1F11 Lambda chain; Spike protein S1 - BetaCoV S1-CTD	-	-		No	-		3.5	-	-		-
7xsw	3.30 Å	2023-01-11	X-ray	-	Pangolin CoV	Spike		27.66%	32.16%	N/A		-	HKL-2000	89.00%	1.9	SSRF (BL19U1)	PHENIX	2022-05-15	36493785	-	-	-	-	N/A	-	-	S309 Heavy Chain; Spike protein S1 - BetaCoV S1-CTD; S309 Lambda Chain	-	-		No	-		4.9	-	-		-
8asy	2.85 Å	2023-01-11	X-ray	PGE, NAG	SARS-CoV-2	Spike		21.73%	26.47%	44.30%	2-acetamido-2-deoxy-beta-D-glucopyranose; TRIETHYLENE GLYCOL	TRIETHYLENE GLYCOL; 2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	99.80%	7.6	Diamond (I03)	PHENIX	2022-08-22	36586406	-	-	-	-	N/A	-	-	Spike protein S1; Processed angiotensin-converting enzyme 2	-	-		No	-		23.3	-	-		-
8fd5	4.57 Å	2023-01-11	Cryo-EM	-	SARS-CoV-2	Nucleocapsid		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-12-02	37749713	-	-	-	-	N/A	-	-	Nucleoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8fg2	6.00 Å	2023-01-11	Cryo-EM	-	SARS-CoV-2	Nucleocapsid		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-12-12	37749713	-	-	-	-	N/A	-	-	Nucleoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8gwe	2.66 Å	2023-01-11	Cryo-EM	GNP	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12/NSP13		N/A	N/A	N/A	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER	PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER		-	-	()	PHENIX	2022-09-16	36335936	MG; ZN	-	-	-	N/A	-	-	RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Non-structural protein 7 - UNP residues 3860-3942; primer; template; Helicase - UNP residues 5325-5925; Non-structural protein 9 - UNP residues 4141-4253; RNA (5'-R(PAPUPUPA)-3')	N/A	-		No	-		N/A	N/A	N/A		-
8gwf	3.39 Å	2023-01-11	Cryo-EM	GTP	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12/NSP13		N/A	N/A	N/A	GUANOSINE-5'-TRIPHOSPHATE; primer; template	GUANOSINE-5'-TRIPHOSPHATE		-	-	()	PHENIX	2022-09-17	36335936	ZN	-	-	-	N/A	-	-	RNA-directed RNA polymerase - UNP residues 4393-5324; Non-structural protein 8 - UNP residues 3943-4140; Non-structural protein 7 - UNP residues 3860-3942; primer; template; Helicase - UNP residues 5325-5925; Non-structural protein 9 - UNP residues 4141-4253	N/A	-		No	-		N/A	N/A	N/A		-
7pxz	1.75 Å	2023-01-18	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		17.38%	20.29%	N/A		-	CrystFEL	100.00%	11.443052	FREE ELECTRON LASER ()	PHENIX; REFMAC	2021-10-08	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	79.8	-	-		-
7wh8	3.11 Å	2023-01-18	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-30	37542391	-	-	-	-	N/A	-	-	antibody ZB8 heavy chain; Spike glycoprotein; antibody ZB8 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7whb	2.67 Å	2023-01-18	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-30	37542391	-	-	-	-	N/A	-	-	Spike glycoprotein; antibody ZB8 light chain; antibody ZB8 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7whd	2.65 Å	2023-01-18	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2021-12-30	37542391	-	-	-	-	N/A	-	-	Spike glycoprotein; antibody ZB8 heavy chain; antibody ZB8 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7x25	2.49 Å	2023-01-18	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-02-25	36246239	-	-	-	-	N/A	-	-	antibody S41 heavy chain; Spike glycoprotein; antibody S41 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7x28	2.49 Å	2023-01-18	Cryo-EM	-	MERS-CoV	Spike		N/A	N/A	N/A		-		-	-	()		2022-02-25	36246239	-	-	-	-	N/A	-	-	antibody S41 light chain; antibody S41 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8bzv	1.80 Å	2023-01-18	X-ray	ADN, MES	SARS-CoV-2	NSP10/NSP16		17.76%	19.95%	13.20%	ADENOSINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	ADENOSINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	99.90%	6.64	PETRA III, DESY (P11)	PHENIX; PHENIX	2022-12-15	-	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase nsp16; Non-structural protein 10	-	-		No	-	-	82.0	-	-		-
8dxt	2.25 Å	2023-01-18	X-ray	-	SARS-CoV-2	Spike		21.12%	25.36%	6.00%		-	XDS	100.00%	17.9	Australian Synchrotron (MX2)	PHENIX	2022-08-03	36755042	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain; Heavy chain of Fab arm of antibody GAR12; Light chain of Fab arm of antibody GAR12	-	-		No	-		32.1	-	-		-
8dxu	2.73 Å	2023-01-18	X-ray	NAG	SARS-CoV-2	Spike		22.29%	26.90%	15.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.40%	12.8	Australian Synchrotron (MX2)	PHENIX	2022-08-03	36755042	-	-	-	-	N/A	-	-	Heavy chain of Fab arm of antibody 10G4; Light chain of Fab arm of antibody 10G4; Heavy chain of Fab arm of antibody GAR03; Light chain of Fab arm of antibody GAR03; Spike protein S1 - receptor binding domain	-	-		No	-		20.1	-	-		-
7mx9	2.60 Å	2023-01-25	X-ray	-	SARS-CoV-2	ORF8		24.32%	29.66%	16.60%		-	XDS	100.00%	11.8	ROTATING ANODE ()	PHENIX	2021-05-18	-	-	-	-	-	N/A	-	-	ORF8 protein	-	-		No	-	-	8.1	-	-		-
7pzq	2.25 Å	2023-01-25	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		17.74%	23.89%	N/A		-	CrystFEL	99.99%	7.41	FREE ELECTRON LASER ()	PHENIX; PHENIX	2021-10-13	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.1	-	-		-
7t5o	3.39 Å	2023-01-25	Cryo-EM	-	SARS-CoV	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2021-12-12	36755042	-	-	-	-	N/A	-	-	GAR03 Fab light chain; Spike glycoprotein; GAR03 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7uu6	1.85 Å	2023-01-25	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		22.40%	25.21%	N/A		-	PROTEUM PLUS	99.90%	14.1	ROTATING ANODE ()	PHENIX	2022-04-28	36629751	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		33.2	-	-		-
7uu7	2.49 Å	2023-01-25	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.46%	24.50%	N/A		-	PROTEUM PLUS	98.20%	19.4	ROTATING ANODE ()	PHENIX	2022-04-28	36629751	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		40.0	-	-		-
7uu8	2.50 Å	2023-01-25	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.26%	25.74%	N/A		-	PROTEUM PLUS	99.30%	13.3	ROTATING ANODE ()	PHENIX	2022-04-28	36629751	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		28.8	-	-		-
7uu9	2.47 Å	2023-01-25	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.10%	25.33%	N/A		-	PROTEUM PLUS	99.20%	14.2	ROTATING ANODE ()	PHENIX	2022-04-28	36629751	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		32.2	-	-		-
7uua	1.85 Å	2023-01-25	X-ray	NOL	SARS-CoV-2	NSP5 (3CLpro)		24.37%	27.30%	N/A	N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE	N-[(BENZYLOXY)CARBONYL]-O-(TERT-BUTYL)-L-THREONYL-3-CYCLOHEXYL-N-[(1S)-2-HYDROXY-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}ETHYL]-L-ALANINAMIDE	PROTEUM PLUS	99.90%	13.8	ROTATING ANODE ()	PHENIX	2022-04-28	36629751	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		17.8	-	-		-
7uub	1.63 Å	2023-01-25	X-ray	7VB	SARS-CoV-2	NSP5 (3CLpro)		21.11%	22.97%	N/A	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide	N-[(benzyloxy)carbonyl]-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methylidene-L-norvalinamide	iMOSFLM	95.80%	12.5	ROTATING ANODE ()	PHENIX	2022-04-28	36629751	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		55.4	-	-		-
7uuc	1.60 Å	2023-01-25	X-ray	81L	SARS-CoV-2	NSP5 (3CLpro)		20.82%	22.92%	N/A	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	N-[(benzyloxy)carbonyl]-3-methyl-L-valyl-3-cyclopropyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-alaninamide	iMOSFLM	99.70%	11.3	ROTATING ANODE ()	PHENIX	2022-04-28	36629751	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		55.8	-	-		-
7uud	1.85 Å	2023-01-25	X-ray	I71	SARS-CoV-2	NSP5 (3CLpro)		20.93%	23.69%	N/A	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	PROTEUM PLUS	99.90%	19.4	ROTATING ANODE ()	PHENIX	2022-04-28	36629751	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		48.1	-	-		-
7uue	1.85 Å	2023-01-25	X-ray	I65	SARS-CoV-2	NSP5 (3CLpro)		20.51%	23.18%	N/A	benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)	benzyl [(2S,3R)-1-({(2S)-1-[2-(3-amino-3-oxopropyl)-2-propanoylhydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)	PROTEUM PLUS	97.40%	16.6	ROTATING ANODE ()	PHENIX	2022-04-28	36629751	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		53.4	-	-		-
7wqi	1.93 Å	2023-01-25	X-ray	80I	SARS-CoV	NSP5 (3CLpro)		21.43%	23.98%	4.20%	[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate	[(3~{S})-3-[[(2~{S})-2-[(4-methoxy-1~{H}-indol-2-yl)carbonylamino]-4-methyl-pentanoyl]amino]-2-oxidanylidene-4-[(3~{R})-2-oxidanylidene-3,4-dihydropyrrol-3-yl]butyl] dihydrogen phosphate	XDS	96.40%	8.9	SSRF (BL02U1)	PHENIX	2022-01-25	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	45.2	-	-		-
7wqv	2.80 Å	2023-01-25	X-ray	NAG, CA, MPD	SARS-CoV-2	Spike		21.98%	25.10%	16.10%	alpha-L-fucopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose; (4S)-2-METHYL-2,4-PENTANEDIOL; CALCIUM ION; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; CALCIUM ION; (4S)-2-METHYL-2,4-PENTANEDIOL	XDS	99.30%	9.4	SSRF (BL18U1)	PHENIX	2022-01-26	36706160	CA	-	-	-	N/A	-	-	Ab08; Spike protein S1 - RBD	-	-		No	-		34.2	-	-		-
8be1	1.98 Å	2023-01-25	X-ray	-	SARS-CoV-2	Spike		24.75%	28.40%	10.90%		-	xia2	100.00%	13.2	Diamond (I04)	BUSTER	2022-10-21	-	-	-	-	-	N/A	-	-	Antibody heavy chain; Antibody light chain; Spike protein S1	-	-		No	-	-	12.3	-	-		-
8cx9	3.50 Å	2023-01-25	X-ray	BR, NA	SARS-CoV-2	NSP3: PLpro		22.49%	26.97%	12.40%	BROMIDE ION; SODIUM ION	BROMIDE ION; SODIUM ION	MOSFLM	81.90%	6.4	ROTATING ANODE ()	PHENIX	2022-05-20	36548304	NA; ZN	-	-	-	N/A	-	-	Papain-like protease nsp3; Ubiquitin variant UbV.CV2.1	-	-		No	-		19.8	-	-		-
8d48	3.70 Å	2023-01-25	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-06-01	36701425	-	-	-	-	N/A	-	-	Spike glycoprotein; sd1.040 Fab light chain; sd1.040 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8dgu	1.89 Å	2023-01-25	X-ray	-		Spike		21.44%	24.51%	9.10%	Spike protein S2'	-	HKL-2000	98.20%	7.2	APS (23-ID-D)	PHENIX	2022-06-24	36889306	-	-	-	-	N/A	-	-	Spike protein S2' - Stem helix peptide, residues 1140-1164; Antibody CC25.106 Fab light chain; Antibody CC25.106 Fab heavy chain	-	-		No	-		39.9	-	-		-
8dm1	3.04 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	36640338	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dm2	2.91 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	36640338	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dm3	2.37 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	36640338	-	-	-	-	N/A	-	-	Fab 4A8 light chain; Fab 4A8 heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dm4	2.45 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	36640338	-	-	-	-	N/A	-	-	Spike glycoprotein; Fab 4A8 light chain; Fab 4A8 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8hc2	6.21 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of YB9-258 Fab; Light chain of YB9-258 Fab	N/A	-		No	-		N/A	N/A	N/A		-
8hc3	4.35 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Spike glycoprotein; Heavy chain of YB9-258; Light chain of YB9-258	N/A	-		No	-		N/A	N/A	N/A		-
8hc4	3.54 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Light chain of YB9-258 Fab; Light chain of R1-32 Fab; Heavy chain of YB9-258; Heavy chain of R1-32 Fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8hc5	3.43 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Light chain of YB9-258; Heavy chain of YB9-258 Fab; Spike glycoprotein; Light chain of R1-32 Fab; Heavy chain of R1-32 Fab	N/A	-		No	-		N/A	N/A	N/A		-
8hc6	4.69 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Spike protein S1; Heavy chain of YB9-258 Fab; Spike protein S1; Light chain of YB9-258	N/A	-		No	-		N/A	N/A	N/A		-
8hc7	4.54 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Spike protein S1; Light chain variable region of YB9-258; Spike protein S1; Heavy chain variable region of YB9-258	N/A	-		No	-		N/A	N/A	N/A		-
8hc8	3.95 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Spike protein S1; Light chain of YB13-292 Fab; Heavy chain of YB13-292 Fab	N/A	-		No	-		N/A	N/A	N/A		-
8hc9	6.03 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Spike glycoprotein; Light chain of YB13-292 Fab; Heavy chain of YB13-292 Fab	N/A	-		No	-		N/A	N/A	N/A		-
8hca	4.35 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Light chain of YB13-292 Fab; Spike glycoprotein; Heavy chain of YB13-292 Fab	N/A	-		No	-		N/A	N/A	N/A		-
8hcb	4.18 Å	2023-01-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-01	36828833	-	-	-	-	N/A	-	-	Light chain of YB13-292 Fab; Spike glycoprotein; Heavy chain of YB13-292 Fab	N/A	-		No	-		N/A	N/A	N/A		-
7wr9	3.24 Å	2023-02-01	Cryo-EM	NAG		Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-26	-	-	-	-	-	N/A	-	-	Spike protein S1; BD55-3152H; BD55-3152L	N/A	-		No	-	-	N/A	N/A	N/A		-
7wrh	2.66 Å	2023-02-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-26	35821014	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wzo	2.64 Å	2023-02-01	X-ray	-	SARS-CoV-2	NSP3(Ubl1)/Nucleocapsid		21.43%	24.68%	15.00%		-	XDS	99.70%	13.2	SSRF (BL19U1)	PHENIX	2022-02-18	36806252	-	-	-	-	N/A	-	-	Nucleoprotein; nsp3 - ubiquitin-like domain 1	-	-		No	-		38.5	-	-		-
7yck	2.60 Å	2023-02-01	X-ray	-	SARS-CoV-2	Spike		22.85%	26.44%	9.30%		-	MOSFLM	97.80%	5.6	NSRRC (BL15A1)	PHENIX	2022-07-01	36658148	-	-	-	-	N/A	-	-	FP-12A Fab light chain; Spike protein S1; FP-12A Fab heavy chain	-	-		No	-		23.4	-	-		-
7ycl	2.13 Å	2023-02-01	X-ray	-	SARS-CoV-2	Spike		17.35%	21.75%	8.40%		-	MOSFLM	99.70%	9.7	NSRRC (BL15A1)	PHENIX	2022-07-01	36658148	-	-	-	-	N/A	-	-	IS-9A Fab light chain; Spike protein S1; IS-9A Fab heavy chain	-	-		No	-		67.5	-	-		-
7ycn	2.85 Å	2023-02-01	X-ray	NAG	SARS-CoV-2	Spike		21.14%	24.99%	15.10%		2-acetamido-2-deoxy-beta-D-glucopyranose	MOSFLM	99.90%	6.6	NSRRC (BL15A1)	PHENIX	2022-07-01	36658148	-	-	-	-	N/A	-	-	IY-2A Fab heavy chain; Spike protein S1; IY-2A Fab light chain	-	-		No	-		35.4	-	-		-
8hhx	3.62 Å	2023-02-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-11-17	36658148	-	-	-	-	N/A	-	-	Spike glycoprotein; FP-12A Fab heavy chain; FP-12A Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
8hhy	2.77 Å	2023-02-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-11-17	36658148	-	-	-	-	N/A	-	-	IS-9A Fab heavy chain; IS-9A Fab light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8hhz	4.28 Å	2023-02-01	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-11-17	36658148	-	-	-	-	N/A	-	-	IY-2A Fab heavy chain; IY-2A Fab light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7tpk	3.40 Å	2023-02-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-25	-	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor-binding domain	N/A	-		No	-	-	N/A	N/A	N/A		-
7wul	1.58 Å	2023-02-08	X-ray	-				15.97%	19.28%	5.80%	3-mer peptide	-	HKL-2000	99.50%	10.3	NSRRC (TPS 05A)	PHENIX	2022-02-08	-	ZN	-	-	-	N/A	-	-	3-mer peptide; E3 ubiquitin-protein ligase	-	-		No	-	-	86.3	-	-		-
7xwx	3.00 Å	2023-02-08	X-ray	PO4	SARS-CoV-2	Nucleocapsid		21.92%	26.81%	22.40%	PHOSPHATE ION	PHOSPHATE ION	XDS	99.60%	12.0	SSRF (BL18U1)	REFMAC	2022-05-27	36317101	-	-	-	-	N/A	-	-	Nucleoprotein - C-terminal domain	-	-		No	-		20.7	-	-		-
7xwz	2.25 Å	2023-02-08	X-ray	-	SARS-CoV-2	Nucleocapsid/RNA/RNA		22.64%	26.85%	4.90%	RNA (5'-R(CPAPCPUPGPAPC)-3'); RNA (5'-R(PGPUPCPAPGPUPG)-3')	-	XDS	99.60%	17.7	CLSI (08ID-1)	REFMAC	2022-05-27	36317101	-	-	-	-	N/A	-	-	RNA (5'-R(PGPUPCPAPGPUPG)-3'); RNA (5'-R(CPAPCPUPGPAPC)-3'); Nucleoprotein - N-terminal domain	-	-		No	-		20.5	-	-	RNA (5'-R(CPAPCPUPGPAPC)-3'); RNA (5'-R(PGPUPCPAPGPUPG)-3')	-
7xx1	1.90 Å	2023-02-08	X-ray	MES	SARS-CoV-2	Nucleocapsid		20.96%	25.84%	6.40%	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	99.60%	10.6	NSLS-II (17-ID-2)	REFMAC	2022-05-27	36317101	ZN	-	-	-	N/A	-	-	Nucleoprotein - N-terminal domain	-	-		No	-		27.9	-	-		-
8dm5	2.51 Å	2023-02-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	36640338	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dm6	2.77 Å	2023-02-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	36640338	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dm7	2.49 Å	2023-02-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	36640338	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dm8	2.68 Å	2023-02-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	36640338	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dm9	2.56 Å	2023-02-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-08	36640338	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8dma	2.79 Å	2023-02-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-07-08	36640338	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dqu	2.45 Å	2023-02-08	X-ray	-	SARS-CoV-2	NSP9		20.32%	22.89%	N/A		-	XDS	95.30%	10.6	Australian Synchrotron (MX2)	PHENIX	2022-07-20	37036856	-	-	-	-	N/A	-	-	Nanobody; Non-structural protein 9	-	-		No	-		56.3	-	-		-
8eqj	3.00 Å	2023-02-08	Cryo-EM	PEE	SARS-CoV-2	ORF3a		N/A	N/A	N/A	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine		-	-	()		2022-10-07	36695574	-	-	-	-	N/A	-	-	ORF3a protein	N/A	-		No	-		N/A	N/A	N/A		-
8eqs	3.10 Å	2023-02-08	Cryo-EM	PEE		ORF3a		N/A	N/A	N/A	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine		-	-	()		2022-10-09	36695574	-	-	-	-	N/A	-	-	ORF3a protein; Apolipoprotein A-I	N/A	-		No	-		N/A	N/A	N/A		-
8eqt	3.40 Å	2023-02-08	Cryo-EM	PEE	SARS-CoV-2	ORF3a		N/A	N/A	N/A	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine		-	-	()		2022-10-09	36695574	-	-	-	-	N/A	-	-	ORF3a protein	N/A	-		No	-		N/A	N/A	N/A		-
8equ	2.80 Å	2023-02-08	Cryo-EM	PEE	SARS-CoV-2	ORF3a		N/A	N/A	N/A	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine	1,2-dioleoyl-sn-glycero-3-phosphoethanolamine		-	-	()	PHENIX	2022-10-09	36695574	-	-	-	-	N/A	-	-	Saposin-A; Saposin A, polyalanine model; ORF3a protein	N/A	-		No	-		N/A	N/A	N/A		-
7wwi	3.50 Å	2023-02-15	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-13	-	-	-	-	-	N/A	-	-	Spike glycoprotein; 55A8 heavy chain; 55A8 light chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7wwj	3.50 Å	2023-02-15	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-13	-	-	-	-	-	N/A	-	-	Spike glycoprotein; 55A8 light chain; 55A8 heavy chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7wwk	3.40 Å	2023-02-15	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-02-13	-	-	-	-	-	N/A	-	-	Spike glycoprotein; 55A8 light chain; 55A8 light chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7zh1	2.48 Å	2023-02-15	Cryo-EM	NAG, EIC	SARS-CoV	Spike		N/A	N/A	N/A	LINOLEIC ACID; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID		-	-	()	PHENIX	2022-04-05	36417532	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7zh2	2.71 Å	2023-02-15	Cryo-EM	NAG, EIC	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID	2-acetamido-2-deoxy-beta-D-glucopyranose; LINOLEIC ACID		-	-	()	PHENIX	2022-04-05	36417532	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7zh5	3.30 Å	2023-02-15	Cryo-EM	NAG	SARS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-05	36417532	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
7y7j	4.80 Å	2023-02-22	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-22	36726762	-	-	-	-	N/A	-	-	1F VL; Spike glycoprotein; 1F VH	N/A	-		No	-		N/A	N/A	N/A		-
7y7k	4.40 Å	2023-02-22	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-06-22	36726762	-	-	-	-	N/A	-	-	Spike protein S1; 1F VL; 1F VH	N/A	-		No	-		N/A	N/A	N/A		-
8b2t	1.89 Å	2023-02-22	X-ray	OW1	SARS-CoV-2	NSP5 (3CLpro)		18.24%	22.34%	54.30%	Nirmatrelvir (reacted form)	Nirmatrelvir (reacted form)	xia2.multiplex	79.10%	7.6	Diamond (VMXm)	REFMAC; PDB-REDO	2022-09-14	36757959	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		61.8	-	-		-
8c8p	4.10 Å	2023-02-22	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2023-01-20	36895554	-	-	-	-	N/A	-	-	Spike glycoprotein,SARS-CoV-2 spike glycoprotein; Heavy-chain-only antibody 10D12	N/A	-		No	-		N/A	N/A	N/A		-
8g62	2.17 Å	2023-02-22	X-ray	YOO, NA	SARS-CoV-2	NSP3: PLpro		17.96%	21.45%	14.30%	3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide; SODIUM ION	3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide; SODIUM ION	HKL-3000	100.00%	7.1	APS (19-ID)	REFMAC	2023-02-14	-	ZN; NA	-	-	-	N/A	-	-	Non-structural protein 3	-	-		No	-	-	70.3	-	-		-
7u0q	3.86 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-18	37167972	-	-	-	-	N/A	-	-	mAb 002-02 light chain; mAb 002-02 Heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7u0x	3.82 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-19	37167972	-	-	-	-	N/A	-	-	mAb 002-13 Light chain; Spike glycoprotein; mAb 002-13 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7wp6	3.81 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-23	36323313	-	-	-	-	N/A	-	-	85F7 heavy chain; 85F7 light chain; 36H6 light chain; Spike protein S1; 83H7 heavy chain; 83H7 light chain; 36H6 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7wsc	3.78 Å	2023-03-01	Cryo-EM	-		Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-01-28	-	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; 3500H; 3500L	N/A	-		No	-	-	N/A	N/A	N/A		-
7x2h	2.10 Å	2023-03-01	X-ray	NAG	SARS-CoV-2	Spike		22.83%	26.89%	98.90%		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.80%	5.7	SSRF (BL02U1)	PHENIX	2022-02-25	37069158	-	-	-	-	N/A	-	-	Spike protein S1 - receptor-binding domain; 6-2C L chain; 6-2C H chain	-	-		No	-		20.3	-	-		-
7xcz	3.20 Å	2023-03-01	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-03-26	36609558	-	-	-	-	N/A	-	-	BA7054 fab; BA7125 fab; BA7125 fab; BA7054 fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7xda	2.98 Å	2023-03-01	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-03-26	36609558	-	-	-	-	N/A	-	-	Spike glycoprotein; BA7208 fab; BA7208 fab; BA7125 fab; BA7125 fab	N/A	-		No	-		N/A	N/A	N/A		-
7xdb	2.62 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-26	36609558	-	-	-	-	N/A	-	-	BA7208 fab; Spike glycoprotein; BA7208 fab	N/A	-		No	-		N/A	N/A	N/A		-
7xdk	3.20 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-27	36609558	-	-	-	-	N/A	-	-	BA7054 fab; Spike glycoprotein; BA7125 fab; BA7125 fab; BA7054 fab	N/A	-		No	-		N/A	N/A	N/A		-
7xq6	2.00 Å	2023-03-01	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		18.81%	23.26%	N/A		-	XDS	99.20%	16.2	RRCAT INDUS-2 (PX-BL21)	PHENIX	2022-05-06	36650888	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		52.5	-	-		-
7xq7	2.35 Å	2023-03-01	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.86%	23.85%	N/A	SODIUM ION	SODIUM ION	XDS	99.80%	10.6	RRCAT INDUS-2 (PX-BL21)	PHENIX	2022-05-06	36650888	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		46.4	-	-		-
7zsd	3.29 Å	2023-03-01	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-05-06	37100904	-	-	-	-	N/A	-	-	de novo designed binder; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7zss	2.63 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-08	37100904	-	-	-	-	N/A	-	-	de novo designed binder; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8aqs	2.92 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-13	37018380	ZN	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8aqt	4.40 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-13	37018380	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin; Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, membrane-bound form	N/A	-		No	-		N/A	N/A	N/A		-
8aqu	3.22 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-13	37018380	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, membrane-bound form; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
8aqv	2.96 Å	2023-03-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-13	37018380	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin; Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, membrane-bound form	N/A	-		No	-		N/A	N/A	N/A		-
8c5m	1.90 Å	2023-03-01	X-ray	MTA, MES	SARS-CoV-2	NSP10/NSP16		18.36%	21.12%	15.31%	5'-DEOXY-5'-METHYLTHIOADENOSINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	5'-DEOXY-5'-METHYLTHIOADENOSINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	99.63%	13.34	PETRA III, EMBL c/o DESY (P13 (MX1))	PHENIX	2023-01-09	-	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase nsp16; Non-structural protein 10	-	-		No	-	-	73.0	-	-		-
8d35	1.90 Å	2023-03-01	X-ray	-	SARS-CoV-2	NSP5/RNA/RNA		18.88%	22.44%	N/A	tRNA (guanine(26)-N(2))-dimethyltransferase; SODIUM ION	SODIUM ION	XDS	99.08%	9.7	NSLS-II (17-ID-1)	PHENIX	2022-05-31	36865253	-	-	-	-	N/A	-	-	3C-like proteinase nsp5 - UNP residues 3264-3569; tRNA (guanine(26)-N(2))-dimethyltransferase - UNP residues 526-536	-	-		No	-		60.8	-	-	tRNA (guanine(26)-N(2))-dimethyltransferase	-
7ul0	2.49 Å	2023-03-08	X-ray	NAG, NA	SARS-CoV-2	Spike		22.46%	25.59%	14.40%	2-acetamido-2-deoxy-beta-D-glucopyranose; SODIUM ION	2-acetamido-2-deoxy-beta-D-glucopyranose; SODIUM ION	HKL-3000	99.90%	5.3	APS (23-ID-B)	PHENIX	2022-04-03	36514310	-	-	-	-	N/A	-	-	Heavy chain of EH8; Light chain of EH8; Spike protein S1	-	-		No	-		30.2	-	-		-
7ul1	2.65 Å	2023-03-08	X-ray	NAG		Spike		17.40%	22.06%	19.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	99.40%	3.7	SSRL (BL9-2)	PHENIX	2022-04-03	36514310	-	-	-	-	N/A	-	-	Spike protein S1; Light chain of EH3; Heavy chain of EH3	-	-		No	-		64.6	-	-		-
7wp8	3.88 Å	2023-03-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-01-23	36323313	-	-	-	-	N/A	-	-	83H7 heavy chain; 2B4 heavy chain; Spike glycoprotein; 2B4 light chain; 85F7 heavy chain; 85F7 light chain; 83H7 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7x63	2.24 Å	2023-03-08	X-ray	-	SARS-CoV-2	Spike		19.27%	22.43%	12.00%		-	HKL-2000	99.50%	4.2	SSRF (BL19U1)	PHENIX	2022-03-06	-	-	-	-	-	N/A	-	-	BD-236 Fab heavy chain; Spike protein S1; BD-236 Fab light chain	-	-		No	-	-	60.9	-	-		-
7x66	2.40 Å	2023-03-08	X-ray	-	SARS-CoV-2	Spike		18.99%	23.82%	18.30%		-	HKL-2000	99.10%	2.9	SSRF (BL19U1)	PHENIX	2022-03-06	-	-	-	-	-	N/A	-	-	BD-236 Fab light chain; BD-236 Fab heavy chain; Spike protein S1	-	-		No	-	-	46.6	-	-		-
7zrv	2.80 Å	2023-03-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-05	37100904	-	-	-	-	N/A	-	-	de novo designed binder; Spike glycoprotein,Envelope glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8bev	5.92 Å	2023-03-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-10-21	-	-	-	-	-	N/A	-	-	Spike glycoprotein; immunoglobulin mu heavy chain	N/A	-		No	-	-	N/A	N/A	N/A		-
8bgg	6.04 Å	2023-03-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-10-27	-	-	-	-	-	N/A	-	-	Nanobody W25; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8c19	1.95 Å	2023-03-08	X-ray	T6B	SARS-CoV-2	NSP3: Macro		17.94%	22.62%	N/A	[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone	[5-(1-methylpyrrolo[2,3-b]pyridin-4-yl)furan-2-yl]-morpholin-4-yl-methanone	DIALS	100.00%	5.5	Diamond (I03)	REFMAC	2022-12-20	36839595	-	-	-	-	N/A	-	-	Non-structural protein 3	-	-		No	-		58.9	-	-		-
8c1a	1.90 Å	2023-03-08	X-ray	T6O	SARS-CoV-2	NSP3: Macro		17.05%	21.41%	N/A	aztreonam	aztreonam	DIALS	95.20%	62.9	Diamond (I03)	REFMAC	2022-12-20	36839595	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	-	-		No	-		70.5	-	-		-
8f2e	2.43 Å	2023-03-08	X-ray	-	SARS-CoV-2	NSP3(C-term)		19.00%	23.20%	N/A		-	autoPROC	97.50%	31.6	NSLS-II, SSRL (17-ID-2, BL12-2)	BUSTER	2022-11-07	36801935	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - CoV-Y domain	-	-		No	-		52.9	-	-		-
7u8e	2.29 Å	2023-03-15	X-ray	NAG	SARS-CoV-2	Spike		20.40%	24.75%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	96.30%	9.78	APS (19-ID)	PHENIX	2022-03-08	-	-	-	-	-	N/A	-	-	Antibody Ab246 Fab light chain; Spike protein S1 - receptor binding domain (RBD); Antibody Ab246 Fab heavy chain	-	-		No	-	-	37.7	-	-		-
7xdl	3.08 Å	2023-03-15	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-03-27	36609558	-	-	-	-	N/A	-	-	BA7125 fab; BA7208 fab; BA7208 fab; Spike glycoprotein; BA7125 fab	N/A	-		No	-		N/A	N/A	N/A		-
8aeb	1.83 Å	2023-03-15	X-ray	NA, 35J	SARS-CoV-2	NSP5 (3CLpro)		18.35%	23.41%	9.30%	SODIUM ION; N-(pyridin-3-ylmethyl)thioformamide	SODIUM ION; N-(pyridin-3-ylmethyl)thioformamide	XDS	98.70%	9.9	SOLEIL (PROXIMA 2)	REFMAC; REFMAC	2022-07-12	36796300	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		50.8	-	-		-
8aqw	3.30 Å	2023-03-15	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-13	37018380	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin; Processed angiotensin-converting enzyme 2,Ig gamma-2A chain C region, A allele	N/A	-		No	-		N/A	N/A	N/A		-
7wqa	1.80 Å	2023-03-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		17.12%	20.76%	4.10%	Z-VAD(OMe)-FMK	-	HKL-2000	99.40%	29.568	NSRRC (BL15A1)	REFMAC	2022-01-25	-	-	-	-	-	N/A	-	-	3C-like proteinase; Z-VAD(OMe)-FMK	-	-		No	-	-	76.1	-	-		-
7x27	2.49 Å	2023-03-22	Cryo-EM	-	MERS-CoV	Spike		N/A	N/A	N/A		-		-	-	()		2022-02-25	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7x93	3.30 Å	2023-03-22	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-03-15	37288342	-	-	-	-	N/A	-	-	Ab765 light chain; Spike glycoprotein; Ab765 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7x94	4.00 Å	2023-03-22	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	phenix.real_space_refine; PHENIX	2022-03-15	37288342	-	-	-	-	N/A	-	-	Ab712 light chain; Spike glycoprotein; Ab712 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7x95	3.90 Å	2023-03-22	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX; phenix.real_space_refine	2022-03-15	37288342	-	-	-	-	N/A	-	-	Ab709 light chain; Spike glycoprotein; Ab709 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7x96	3.40 Å	2023-03-22	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX; phenix.real_space_refine	2022-03-15	37288342	-	-	-	-	N/A	-	-	Ab847 light chain; Spike glycoprotein; Ab847 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7xax	2.25 Å	2023-03-22	X-ray	3WL	SARS-CoV-2	NSP5 (3CLpro)		22.89%	27.97%	7.10%	5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one	5,6,7-trihydroxy-2-phenyl-4H-chromen-4-one		97.70%	11.0	SSRF (BL02U1)	PHENIX	2022-03-19	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	14.3	-	-		-
7xb3	2.08 Å	2023-03-22	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		21.36%	24.25%	3.10%		-	XDS	100.00%	18.5	SSRF (BL02U1)	PHENIX	2022-03-20	-	-	-	-	-	N/A	-	-	Replicase polyprotein 1a	-	-		No	-	-	42.6	-	-		-
7xb4	2.07 Å	2023-03-22	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		21.09%	24.03%	3.70%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	94.40%	15.7	SSRF (BL02U1)	PHENIX	2022-03-20	-	-	-	-	-	N/A	-	-	Replicase polyprotein 1a	-	-		No	-	-	44.5	-	-		-
7z2k	1.65 Å	2023-03-22	X-ray	NA, MLI	SARS-CoV-2	NSP5 (3CLpro)		18.84%	20.95%	9.08%	SODIUM ION; MALONATE ION	SODIUM ION; MALONATE ION	XDS	99.34%	13.35	PETRA III, DESY (P11)	PHENIX; PHENIX	2022-02-28	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	74.5	-	-		-
7z3u	1.72 Å	2023-03-22	X-ray	RN2, NA	SARS-CoV-2	NSP5 (3CLpro)		18.65%	21.56%	10.10%	Calpeptin; SODIUM ION	Calpeptin; SODIUM ION	XDS	99.70%	12.54	PETRA III, DESY (P11)	PHENIX	2022-03-02	37853179	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		69.3	-	-		-
7z4s	1.70 Å	2023-03-22	X-ray	AEA, II7, PGE	SARS-CoV-2	NSP5 (3CLpro)		19.82%	23.38%	12.90%	DTY-PHE-HIS-LEU-ASN-LEU-GLY-TYR-ARG-PRO-GLY; 3-azanylcyclobutane-1-carbaldehyde; (2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETIC ACID; TRIETHYLENE GLYCOL	(2-AMINO-2-CARBAMOYL-ETHYLSULFANYL)-ACETIC ACID; 3-azanylcyclobutane-1-carbaldehyde; TRIETHYLENE GLYCOL	xia2	99.90%	6.6	Diamond (I03)	REFMAC	2022-03-04	37217786	-	-	-	-	N/A	-	-	ORF1a polyprotein; ORF1a polyprotein; DTY-PHE-HIS-LEU-ASN-LEU-GLY-TYR-ARG-PRO-GLY	-	-		No	-		51.4	-	-		-
8bbn	3.58 Å	2023-03-22	X-ray	-	SARS-CoV-2	Spike		26.54%	31.39%	46.70%		-	xia2	100.00%	4.1	Diamond (I03)	PHENIX	2022-10-14	36995936	-	-	-	-	N/A	-	-	BA.2-10 light chain; EY6A Heavy chain; EY6A light chain; Spike protein S1; BA.2-10 heavy chain	-	-		No	-		5.5	-	-		-
8bbo	2.75 Å	2023-03-22	X-ray	NAG	SARS-CoV-2	Spike		22.42%	25.20%	46.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	xia2	100.00%	7.5	Diamond (I03)	PHENIX	2022-10-14	36995936	-	-	-	-	N/A	-	-	Spike glycoprotein; Immunoglobulin kappa light chain; IGH@ protein	-	-		No	-		33.3	-	-		-
8bcz	2.90 Å	2023-03-22	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-10-17	36995936	-	-	-	-	N/A	-	-	Spike protein S1; BA.2-36 light chain; BA.2-36 heavy chain; EY6A light chain; EY6A heavy chain; COVOX-45 light chain; COVOX-45 heavy chain; BA.2-23 light chain; BA.2-23 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8c3v	2.74 Å	2023-03-22	X-ray	PG0, PG4	SARS-CoV-2	Spike		21.56%	25.77%	25.70%	2-(2-METHOXYETHOXY)ETHANOL	2-(2-METHOXYETHOXY)ETHANOL; TETRAETHYLENE GLYCOL	xia2	100.00%	7.4	Diamond (I04)	PHENIX	2022-12-28	36995936	-	-	-	-	N/A	-	-	Nanobody C1; Spike protein S1; BA.2-13 light chain; BA.2-13 heavy chain	-	-		No	-		28.6	-	-		-
8d0z	3.70 Å	2023-03-22	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-26	36862518	-	-	-	-	N/A	-	-	Spike glycoprotein; S728-1157 Fab heavy chain variable region; S728-1157 Fab light chain variable region	N/A	-		No	-		N/A	N/A	N/A		-
8h3d	3.27 Å	2023-03-22	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-10-08	36844485	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin - SARS-CoV-2 spike protein,SARS-CoV-2 spike protein	N/A	-		No	-		N/A	N/A	N/A		-
8h3e	3.06 Å	2023-03-22	Cryo-EM	NAG, Q83	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid	2-acetamido-2-deoxy-beta-D-glucopyranose; 7-(6-nitro-2,3-dihydroindol-1-yl)-7-oxidanylidene-heptanoic acid		-	-	()		2022-10-08	36844485	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin - SARS-CoV-2 spike protein,SARS-CoV-2 spike protein	N/A	-		No	-		N/A	N/A	N/A		-
8dsu	1.86 Å	2023-03-29	X-ray	V2M	SARS-CoV-2	NSP5 (3CLpro)		20.49%	25.43%	4.74%	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	CrysalisPro	99.90%	19.97	ROTATING ANODE ()	PHENIX; PHENIX	2022-07-22	36992489	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		31.4	-	-		-
8e7c	2.45 Å	2023-03-29	X-ray	V2M	HKU-15	NSP5 (3CLpro)		19.27%	23.49%	16.08%	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide	CrysalisPro	93.51%	5.37	ROTATING ANODE ()	PHENIX	2022-08-23	36992489	-	-	-	-	N/A	-	-	Main Protease	-	-		No	-		50.2	-	-		-
8e7n	1.65 Å	2023-03-29	X-ray	B1S, K36	Whale-CoV SW1	NSP5 (3CLpro)		15.93%	19.50%	5.57%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1R,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid; (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	CrysalisPro	94.95%	11.31	ROTATING ANODE ()	PHENIX	2022-08-24	36992489	-	-	-	-	N/A	-	-	main protease	-	-		No	-		84.9	-	-		-
8fa1	2.51 Å	2023-03-29	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-11-25	36940324	-	-	-	-	N/A	-	-	Spike protein S2' HR2; Ferritin, Dps family protein and Spike protein S2' chimera	N/A	-		No	-		N/A	N/A	N/A		-
8fa2	2.82 Å	2023-03-29	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-11-25	36940324	-	-	-	-	N/A	-	-	Scaffolded Spike protein S2' HR1; Spike protein S2' 42G	N/A	-		No	-		N/A	N/A	N/A		-
8fwx	2.12 Å	2023-03-29	X-ray	-	Whale-CoV SW1	NSP5 (3CLpro)		19.86%	23.83%	13.50%		-	autoPROC	99.90%	11.3	APS (19-ID)	PHENIX	2023-01-23	36992489	-	-	-	-	N/A	-	-	Main Protease	-	-		No	-		46.5	-	-		-
8g6r	3.30 Å	2023-03-29	Cryo-EM	-	PEDV	NSP7/NSP8/NSP12/Spike		N/A	N/A	N/A	RNA (5'-R(PGPGPUPUPGPUPGPAPUPUPUPUPAPAPUPAPGPCPUPU)-3'); RNA (5'-R(PAPAPGPAPAPGPCPUPAPUPUPAPAPAPAPUPCPAPCPA)-3')	-		-	-	()	PHENIX	2023-02-15	36993498	ZN	-	-	-	N/A	-	-	nsp8; nsp12; RNA (5'-R(PAPAPGPAPAPGPCPUPAPUPUPAPAPAPAPUPCPAPCPA)-3'); RNA (5'-R(PGPGPUPUPGPUPGPAPUPUPUPUPAPAPUPAPGPCPUPU)-3'); nsp7	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(PGPGPUPUPGPUPGPAPUPUPUPUPAPAPUPAPGPCPUPU)-3'); RNA (5'-R(PAPAPGPAPAPGPCPUPAPUPUPAPAPAPAPUPCPAPCPA)-3')	-
8hht	1.95 Å	2023-03-29	X-ray	LV0	SARS-CoV-2	NSP5 (3CLpro)		19.64%	24.50%	4.60%	~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide	~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]benzamide	XDS	87.30%	23.3	SSRF (BL18U1)	PHENIX	2022-11-17	36928316	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		40.0	-	-		-
8hhu	2.26 Å	2023-03-29	X-ray	LVX	SARS-CoV-2	NSP5 (3CLpro)		18.54%	22.68%	6.70%	(1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide	(1~{R})-3,3-bis(fluoranyl)-~{N}-[(2~{R})-3-methoxy-1-oxidanylidene-1-[[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(1,3-thiazol-2-ylmethylamino)butan-2-yl]amino]propan-2-yl]cyclohexane-1-carboxamide	XDS	98.80%	14.0	MAX IV (BioMAX)	BUSTER	2022-11-17	36928316	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		58.4	-	-		-
8dzb	1.85 Å	2023-04-05	X-ray	U6Y	SARS-CoV-2	NSP5 (3CLpro)		18.33%	20.96%	8.70%	benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate	benzyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-5-oxopyrrolidin-3-yl}carbamate	iMOSFLM	94.70%	9.8	APS (22-ID)	REFMAC	2022-08-06	36920943	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		74.4	-	-		-
8dzc	2.20 Å	2023-04-05	X-ray	U76	SARS-CoV-2	NSP5 (3CLpro)		21.48%	24.47%	6.00%	(3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate	(3,5-difluorophenyl)methyl {(3S)-1-[(2S)-1-({(2S,3R)-4-(cyclopropylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-6-oxopiperidin-3-yl}carbamate	iMOSFLM	97.80%	15.7	APS (22-ID)	REFMAC	2022-08-06	36920943	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		40.5	-	-		-
8eua	3.10 Å	2023-04-05	X-ray	WUK	SARS-CoV-2	NSP3: PLpro		19.13%	25.34%	43.60%	methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate	methyl 4-{2-[3-(2-{[(1R)-1-(naphthalen-1-yl)ethyl]carbamoyl}phenyl)propanoyl]hydrazinyl}-4-oxobutanoate	XDS	99.80%	10.91	SSRL (BL12-2)	REFMAC	2022-10-18	36977673	ZN	-	-	-	N/A	-	-	Papain-like protease nsp3	-	-		No	-		32.2	-	-		-
8fu7	3.21 Å	2023-04-05	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-01-16	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8fu8	3.08 Å	2023-04-05	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-01-16	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8fu9	3.52 Å	2023-04-05	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-01-16	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8gjm	2.80 Å	2023-04-05	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2023-03-16	36916782	-	-	-	-	N/A	-	-	Heavy chain of 17B10 fab; Light chain of 17B10 fab; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8gjn	3.60 Å	2023-04-05	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2023-03-16	36916782	-	-	-	-	N/A	-	-	Spike protein S2' - RBD; Heavy chain of 17B10 Fab; Light chain of 17B10 Fab	N/A	-		No	-		N/A	N/A	N/A		-
8ign	2.02 Å	2023-04-05	X-ray	7ON	SARS-CoV-2	NSP5 (3CLpro)		18.62%	23.12%	6.70%	(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide	(3~{S},3~{a}~{S},6~{a}~{R})-2-[(2~{S})-2-cyclohexyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]ethanoyl]-~{N}-[(2~{S})-4-(cyclopentylamino)-3,4-bis(oxidanylidene)-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]-3,3~{a},4,5,6,6~{a}-hexahydro-1~{H}-cyclopenta[c]pyrrole-3-carboxamide	XDS	97.50%	9.9	SSRF (BL19U1)	REFMAC	2023-02-21	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	53.8	-	-		-
8igo	2.00 Å	2023-04-05	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.59%	24.90%	3.10%		-	XDS	96.20%	31.6	SSRF (BL19U1)	PHENIX	2023-02-21	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	36.0	-	-		-
7sh7	1.85 Å	2023-04-12	X-ray	9GI	SARS-CoV-2	NSP5 (3CLpro)		25.78%	29.72%	8.90%	benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)	benzyl [(2S,3R)-3-tert-butoxy-1-{[(2S)-3-cyclohexyl-1-oxo-1-(2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}-2-propanoylhydrazinyl)propan-2-yl]amino}-1-oxobutan-2-yl]carbamate (non-preferred name)	PROTEUM	97.00%	9.3	ROTATING ANODE ()	PHENIX	2021-10-08	37090597	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		7.9	-	-		-
7sh8	1.80 Å	2023-04-12	X-ray	GJ3	SARS-CoV-2	NSP5 (3CLpro)		23.45%	27.24%	N/A	benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)	benzyl [(2S,3R)-1-{[(2S)-1-(2-acetyl-2-{[(3S)-2-oxopyrrolidin-3-yl]methyl}hydrazinyl)-3-cyclohexyl-1-oxopropan-2-yl]amino}-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)	PROTEUM PLUS	99.60%	12.9	ROTATING ANODE ()	PHENIX	2021-10-08	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	18.2	-	-		-
7sh9	1.85 Å	2023-04-12	X-ray	9HA	SARS-CoV-2	NSP5 (3CLpro)		22.58%	26.30%	N/A	benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)	benzyl [(2S,3R)-1-({(2S)-1-[2-acetyl-2-(3-amino-3-oxopropyl)hydrazinyl]-3-cyclohexyl-1-oxopropan-2-yl}amino)-3-tert-butoxy-1-oxobutan-2-yl]carbamate (non-preferred name)	PROTEUM PLUS	99.60%	8.9	ROTATING ANODE ()	PHENIX	2021-10-08	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	24.3	-	-		-
8fez	3.72 Å	2023-04-12	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-12-07	36993551	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8gzz	3.52 Å	2023-04-12	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-09-27	-	-	-	-	-	N/A	-	-	Spike protein S1 - SARS-CoV-2 Omicron BA.1 Spike glycoprotein receptor binding domain; rabbit monoclonal antibody 1H1 Fab heavy chain; rabbit monoclonal antibody 1H1 Fab light chain	N/A	-		No	-	-	N/A	N/A	N/A		-
8h00	3.41 Å	2023-04-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-27	-	-	-	-	-	N/A	-	-	rabbit monoclonal antibody 1H1 Fab heavy chain; rabbit monoclonal antibody 1H1 Fab light chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8h01	3.70 Å	2023-04-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-27	-	-	-	-	-	N/A	-	-	rabbit monoclonal antibody 1H1 Fab heavy chain; rabbit monoclonal antibody 1H1 Fab light chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8itu	3.68 Å	2023-04-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-03-23	-	-	-	-	-	N/A	-	-	1H1 heavy chain; 1H1 light chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7uow	4.40 Å	2023-04-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-14	37167972	-	-	-	-	N/A	-	-	Spike glycoprotein; Monoclonal antibody 034_32 heavy chain; Monoclonal antibody 034_32 light chain	N/A	-		No	-		N/A	N/A	N/A		-
7wn2	2.35 Å	2023-04-19	X-ray	NAG	SARS-CoV-2	Spike		22.82%	27.85%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.60%	4.1	SPring-8 (BL44XU)	PHENIX	2022-01-17	37041231	-	-	-	-	N/A	-	-	Fab Heavy chain; Fab Light chain; Spike protein S1 - Receptor-binding domain	-	-		No	-		14.8	-	-		-
7wnb	2.18 Å	2023-04-19	X-ray	-	SARS-CoV-2	Spike		24.49%	28.07%	N/A		-	XDS	99.80%	5.1	SPring-8 (BL44XU)	PHENIX	2022-01-18	37041231	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor-binding domain; Fab Light chain; Fab Heavy chain	-	-		No	-		13.8	-	-		-
7xj6	3.29 Å	2023-04-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-15	-	-	-	-	-	N/A	-	-	Spike glycoprotein; 58G6 heavy chain; 58G6 light chain; 55A8 heavy chain; 55A8 light chain	N/A	-		No	-	-	N/A	N/A	N/A		-
7xj8	3.30 Å	2023-04-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-15	-	-	-	-	-	N/A	-	-	55A8 heavy chain; 58G6 light chain; 58G6 heavy chain; 55A8 light chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7xj9	3.27 Å	2023-04-19	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-04-15	-	-	-	-	-	N/A	-	-	58G6 light chain; 55A8 light chain; 58G6 heavy chain; 55A8 heavy chain; Spike glycoprotein - UNP residues 334-527	N/A	-		No	-	-	N/A	N/A	N/A		-
7yow	3.30 Å	2023-04-19	X-ray	-	SARS-CoV-2	Spike		20.85%	25.42%	9.40%		-	XDS	97.80%	5.5	SPring-8 (BL44XU)	PHENIX	2022-08-02	37041231	-	-	-	-	N/A	-	-	Fab Heavy chain; Fab Light chain; Spike protein S1	-	-		No	-		31.4	-	-		-
7zjl	2.60 Å	2023-04-19	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-04-11	-	-	-	-	-	N/A	-	-	Spike glycoprotein; REGN10987 Fab homologue (Light chain); REGN10987 Fab homologue (Heavy chain)	N/A	-		No	-	-	N/A	N/A	N/A		-
8c1v	2.90 Å	2023-04-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-12-21	36964125	-	-	-	-	N/A	-	-	Spike glycoprotein; Sb92	N/A	-		No	-		N/A	N/A	N/A		-
8hef	1.51 Å	2023-04-19	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		13.26%	17.01%	7.10%		6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	xia2	99.80%	14.7	SSRF (BL19U1)	REFMAC	2022-11-08	36997073	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		95.1	-	-		-
8i5h	2.38 Å	2023-04-19	X-ray	NAG	SARS-CoV-2	Spike		18.83%	23.03%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	10.3	SPring-8 (BL44XU)	PHENIX	2023-01-25	37041231	-	-	-	-	N/A	-	-	Spike protein S1 - Delta RBD; Fab Light chain; Fab Heavy chain	-	-		No	-		54.7	-	-		-
8i5i	3.06 Å	2023-04-19	X-ray	-	SARS-CoV-2	Spike		22.83%	37.25%	N/A		-	XDS	88.60%	8.9	SPring-8 (BL44XU)	PHENIX	2023-01-25	37041231	-	-	-	-	N/A	-	-	Fab Light chain; Fab Heavy chain; Spike protein S1	-	-		No	-		3.6	-	-		-
5sml	1.53 Å	2023-04-26	X-ray	O3R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.24%	22.73%	8.80%	6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide	6-{[(3,4-dichlorophenyl)methyl](methyl)amino}pyridine-3-sulfonamide	XDS	99.60%	11.2	Diamond (I04-1)	REFMAC	2022-04-20	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	57.8	-	-		-
5smm	1.58 Å	2023-04-26	X-ray	O46	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.06%	23.11%	9.70%	N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide	N-[4-(3-fluorophenyl)oxan-4-yl]-2-(3-hydroxyphenyl)acetamide	XDS	99.70%	12.2	Diamond (I04-1)	REFMAC	2022-04-20	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	53.9	-	-		-
5smn	1.36 Å	2023-04-26	X-ray	O4F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.73%	21.16%	6.80%	N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide	N-(1-cyanocyclopropyl)-1-(3-methylpyridin-4-yl)piperidine-4-carboxamide	XDS	98.80%	14.6	Diamond (I04-1)	REFMAC	2022-04-20	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	72.7	-	-		-
7xik	2.89 Å	2023-04-26	X-ray	-	SARS-CoV-2	Spike		21.06%	26.30%	26.20%		-	DENZO	99.80%	10.2	SSRF (BL19U1)	PHENIX	2022-04-13	-	-	-	-	-	N/A	-	-	B38 Fab heavy chain; Spike protein S1; B38 Fab light chain	-	-		No	-	-	24.3	-	-		-
7xil	2.91 Å	2023-04-26	X-ray	NAG	SARS-CoV-2	Spike		20.63%	25.62%	19.30%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.40%	2.4	SSRF (BL19U1)	PHENIX	2022-04-13	-	-	-	-	-	N/A	-	-	Spike protein S1; B38 Fab heavy chain; B38 Fab light chain	-	-		No	-	-	29.7	-	-		-
7xs8	2.80 Å	2023-04-26	X-ray	NAG	SARS-CoV-2	Spike		21.55%	26.74%	23.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.60%	3.8	SSRF (BL18U1)	PHENIX	2022-05-13	36914890	-	-	-	-	N/A	-	-	Spike protein S1; P5S-1H1 Light chain; P5S-1H1 Heavy chain	-	-		No	-		21.3	-	-		-
8djj	2.51 Å	2023-04-26	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		21.79%	27.98%	N/A		-	XDS	97.14%	14.96	CLSI (08B1-1)	PHENIX	2022-06-30	37122453	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		14.2	-	-		-
8dkz	3.00 Å	2023-04-26	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		23.34%	31.76%	N/A		-	XDS	94.59%	13.15	CLSI (08B1-1)	PHENIX	2022-07-06	37122453	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		5.2	-	-		-
8eir	2.49 Å	2023-04-26	Cryo-EM	-	SARS-CoV-2	NSP5 (3CLpro)		N/A	N/A	N/A		-		-	-	()	phenix.real_space_refine; PHENIX	2022-09-15	37044215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5; nsp7-nsp10 of Replicase polyprotein 1a	N/A	-		No	-		N/A	N/A	N/A		-
8ej9	2.50 Å	2023-04-26	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		25.56%	32.87%	N/A		-	XDS	97.00%	8.73	SSRL (BL12-1)	PHENIX	2022-09-16	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	4.5	-	-		-
8eke	3.36 Å	2023-04-26	Cryo-EM	-	SARS-CoV-2	NSP5 (3CLpro)		N/A	N/A	N/A		-		-	-	()	PHENIX; phenix.real_space_refine	2022-09-20	37044215	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	N/A	-		No	-		N/A	N/A	N/A		-
8gb0	4.10 Å	2023-04-26	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2023-02-24	37034621	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8heb	3.53 Å	2023-04-26	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-08	37062240	-	-	-	-	N/A	-	-	Spike glycoprotein; rabbit antibody 9H1 light chain; rabbit antibody 9H1 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8hec	3.50 Å	2023-04-26	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-08	37062240	-	-	-	-	N/A	-	-	rabbit antibody 9H1 heavy chain; Spike glycoprotein; rabbit antibody 9H1 light chain	N/A	-		No	-		N/A	N/A	N/A		-
8hed	3.59 Å	2023-04-26	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-08	37062240	-	-	-	-	N/A	-	-	rabbit antibody 9H1 heavy chain; Spike protein S1 - RBD; rabbit antibody 9H1 light chain	N/A	-		No	-		N/A	N/A	N/A		-
8a94	2.40 Å	2023-05-03	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-27	36574772	-	-	-	-	N/A	-	-	SARS-CoV2 Spike in 2-up conformation in complex with Fab47; Fab47 (Heavy chain Variable domain); Fab47 (Light chain Variable domain)	N/A	-		No	-		N/A	N/A	N/A		-
8a96	2.70 Å	2023-05-03	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-06-27	36574772	-	-	-	-	N/A	-	-	Spike protein S1; Fab47 Heavy chain (variable domain); Fab47 Light chain (variable domain)	N/A	-		No	-		N/A	N/A	N/A		-
8di3	1.50 Å	2023-05-03	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		18.41%	21.80%	N/A		-	XDS	98.01%	11.03	SSRL (BL12-1)	PHENIX	2022-06-28	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	66.9	-	-		-
8dkh	1.95 Å	2023-05-03	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		24.67%	28.80%	N/A		-	XDS	97.20%	4.04	SSRL (BL12-1)	PHENIX	2022-07-05	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	10.6	-	-		-
8dkj	2.11 Å	2023-05-03	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.45%	24.76%	N/A		-	XDS	98.83%	1.16	SSRL (BL12-1)	PHENIX	2022-07-05	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	37.6	-	-		-
8dkk	2.00 Å	2023-05-03	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.35%	24.97%	N/A		-	XDS	98.82%	1.55	SSRL (BL12-1)	PHENIX	2022-07-05	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	35.6	-	-		-
8dkl	1.90 Å	2023-05-03	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.98%	24.13%	N/A		-	XDS	98.00%	1.38	SSRL (BL12-1)	PHENIX	2022-07-05	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	43.6	-	-		-
8dmn	2.30 Å	2023-05-03	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		21.15%	27.24%	N/A		-	XDS	97.44%	17.4	SSRL (BL12-2)	PHENIX	2022-07-08	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	18.2	-	-		-
8ej7	2.30 Å	2023-05-03	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.12%	27.02%	N/A		-	XDS	97.08%	17.05	SSRL (BL12-1)	PHENIX	2022-09-16	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	19.4	-	-		-
8f0g	3.35 Å	2023-05-03	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-02	37083327	-	-	-	-	N/A	-	-	Antibody 1C3 Fab Heavy Chain; Antibody 1C3 Fab Light Chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8f0h	3.18 Å	2023-05-03	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	-		-	-	()	PHENIX	2022-11-02	37083327	-	-	-	-	N/A	-	-	Antibody Fab 1H2 heavy chain; Antibody Fab 2A10 light chain; Antibody Fab 2A10 heavy chain; Antibody Fab 1H2 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8gs9	2.66 Å	2023-05-03	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-09-05	-	-	-	-	-	N/A	-	-	Heavy chain of VacBB-551; Light chain of VacBB-551; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8okk	1.63 Å	2023-05-03	X-ray	83F, FMT, NA, MPD	SARS-CoV-2	NSP5 (3CLpro)		15.22%	17.77%	11.20%	(4S)-2-METHYL-2,4-PENTANEDIOL; FORMIC ACID; SODIUM ION; tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate	tert-butyl-N-[(2S)-3-methyl-1-[(2S,4S)-4-methyl-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxidanylidene-butan-2-yl]carbamate; FORMIC ACID; SODIUM ION; (4S)-2-METHYL-2,4-PENTANEDIOL	XDS	98.00%	13.1	ELETTRA (11.2C)	PHENIX; PHENIX	2023-03-28	37043904	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		93.0	-	-		-
8okl	1.50 Å	2023-05-03	X-ray	NA, 83N, FMT, MPD	SARS-CoV-2	NSP5 (3CLpro)		16.47%	18.88%	9.00%	FORMIC ACID; (4S)-2-METHYL-2,4-PENTANEDIOL; SODIUM ION; tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate	SODIUM ION; tert-butyl-N-[(2S)-1-[(2S,4S)-4-methoxy-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate; FORMIC ACID; (4S)-2-METHYL-2,4-PENTANEDIOL	XDS	99.90%	15.0	ELETTRA (11.2C)	PHENIX; PHENIX	2023-03-28	37043904	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		88.4	-	-		-
8okm	1.66 Å	2023-05-03	X-ray	MPD, NA, 84C, BR	SARS-CoV-2	NSP5 (3CLpro)		16.33%	18.67%	9.30%	SODIUM ION; tert-butyl-N-[(2S)-1-[(3S,3aS,6aR)-3-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate; (4S)-2-METHYL-2,4-PENTANEDIOL; BROMIDE ION	(4S)-2-METHYL-2,4-PENTANEDIOL; SODIUM ION; tert-butyl-N-[(2S)-1-[(3S,3aS,6aR)-3-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-3-methyl-1-oxidanylidene-butan-2-yl]carbamate; BROMIDE ION	XDS	100.00%	16.6	ELETTRA (11.2C)	PHENIX; PHENIX	2023-03-28	37043904	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		89.4	-	-		-
8okn	1.35 Å	2023-05-03	X-ray	NA, MPD, 83W	SARS-CoV-2	NSP5 (3CLpro)		15.92%	17.43%	7.00%	tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate; (4S)-2-METHYL-2,4-PENTANEDIOL; SODIUM ION	SODIUM ION; (4S)-2-METHYL-2,4-PENTANEDIOL; tert-butyl-N-[(2S,3R)-3-[(2-methylpropan-2-yl)oxy]-1-oxidanylidene-1-[(2S)-2-[[(2S)-1-oxidanyl-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]carbamoyl]pyrrolidin-1-yl]butan-2-yl]carbamate	XDS	100.00%	15.0	ELETTRA (11.2C)	PHENIX; PHENIX	2023-03-28	37043904	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		94.0	-	-		-
8oto	1.80 Å	2023-05-03	X-ray	MES, AMP	SARS-CoV-2	NSP10/NSP16		17.54%	18.57%	3.35%	ADENOSINE MONOPHOSPHATE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; ADENOSINE MONOPHOSPHATE	XDS	99.82%	12.65	PETRA III, EMBL c/o DESY (P13 (MX1))	PHENIX	2023-04-21	-	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase nsp16; Non-structural protein 10	-	-		No	-	-	89.9	-	-		-
7uw3	1.70 Å	2023-05-10	X-ray	-	SARS-CoV-2	Nucleocapsid		28.27%	29.93%	9.70%		-	XDS	99.90%	12.8	SSRL (BL12-1)	PHENIX; PHENIX	2022-05-02	35638584	-	-	-	-	N/A	-	-	Nucleoprotein - N-terminal domain (UNP residues 40-174)	-	-		No	-		7.4	-	-		-
7xsa	2.20 Å	2023-05-10	X-ray	-	SARS-CoV-2	Spike		23.12%	28.31%	9.80%		-	HKL-2000	99.10%	5.5	SSRF (BL18U1)	PHENIX	2022-05-13	36914890	-	-	-	-	N/A	-	-	P2S-2E9 Light chain; P2S-2E9 Heavy chain; Spike protein S1 - receptor binding domain	-	-		No	-		12.6	-	-		-
7xsb	3.20 Å	2023-05-10	X-ray	-	SARS-CoV-2	Spike		25.76%	32.43%	17.10%		-	HKL-2000	98.50%	2.8	SSRF (BL18U1)	PHENIX	2022-05-13	36914890	-	-	-	-	N/A	-	-	P5S-3B11 Heavy chain; P5S-3B11 Light chain; Spike protein S1 - receptor binding domain	-	-		No	-		4.7	-	-		-
8a99	2.50 Å	2023-05-10	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-28	36574772	-	-	-	-	N/A	-	-	Fab47 (Light chain Variable domain); SARS-CoV2 spike 1-up conformation in complex with Fab47; Fab47 (Heavy chain variable domain)	N/A	-		No	-		N/A	N/A	N/A		-
8fdw	2.90 Å	2023-05-10	Cryo-EM	MAN, NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	alpha-D-mannopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	alpha-D-mannopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-12-05	37285872	-	-	-	-	N/A	-	-	Spike protein S2	N/A	-		No	-		N/A	N/A	N/A		-
8h3m	2.48 Å	2023-05-10	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-10-09	37191569	-	-	-	-	N/A	-	-	Spike glycoprotein; MO1 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8h3n	2.73 Å	2023-05-10	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-10-09	37191569	-	-	-	-	N/A	-	-	MO1 heavy-chain; Spike glycoprotein; MO1 light chain	N/A	-		No	-		N/A	N/A	N/A		-
8ot0	2.21 Å	2023-05-10	X-ray	MTA, MES	SARS-CoV-2	NSP10/NSP16		18.29%	20.99%	7.64%	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; 5'-DEOXY-5'-METHYLTHIOADENOSINE	5'-DEOXY-5'-METHYLTHIOADENOSINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	99.86%	7.36	PETRA III, EMBL c/o DESY (P13 (MX1))	PHENIX	2023-04-20	-	ZN	-	-	-	N/A	-	-	Non-structural protein 10; 2'-O-methyltransferase nsp16	-	-		No	-	-	74.2	-	-		-
8ov1	1.67 Å	2023-05-10	X-ray	MES, ADP, SAM	SARS-CoV-2	NSP10/NSP16		17.38%	18.78%	3.49%	S-ADENOSYLMETHIONINE; ADENOSINE-5'-DIPHOSPHATE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; ADENOSINE-5'-DIPHOSPHATE; S-ADENOSYLMETHIONINE	XDS	99.87%	12.57	PETRA III, EMBL c/o DESY (P13 (MX1))	PHENIX	2023-04-25	-	ZN	-	-	-	N/A	-	-	Non-structural protein 10; 2'-O-methyltransferase nsp16	-	-		No	-	-	88.9	-	-		-
8ov2	1.86 Å	2023-05-10	X-ray	SGV, MES	SARS-CoV-2	NSP10/NSP16		17.73%	19.76%	12.14%	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; SANGIVAMYCIN	SANGIVAMYCIN; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	99.94%	9.75	PETRA III, DESY (P11)	PHENIX	2023-04-25	-	ZN	-	-	-	N/A	-	-	Non-structural protein 10; 2'-O-methyltransferase nsp16	-	-		No	-	-	83.3	-	-		-
8ov3	1.82 Å	2023-05-10	X-ray	MES, 5ID	SARS-CoV-2	NSP10/NSP16		18.20%	21.06%	16.79%	(2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL	XDS	98.44%	7.33	PETRA III, DESY (P11)	PHENIX	2023-04-25	-	ZN	-	-	-	N/A	-	-	Non-structural protein 10; 2'-O-methyltransferase nsp16	-	-		No	-	-	73.6	-	-		-
8ov4	1.93 Å	2023-05-10	X-ray	MES, TO1	SARS-CoV-2	NSP10/NSP16		17.90%	20.75%	13.71%	4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; 4-amino-7-(beta-D-ribofuranosyl)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile	XDS	99.90%	9.1	PETRA III, DESY (P11)	PHENIX	2023-04-25	-	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase nsp16; Non-structural protein 10	-	-		No	-	-	76.2	-	-		-
8bse	1.90 Å	2023-05-17	X-ray	TRS, NAG	SARS-CoV-2	Spike		17.69%	21.61%	10.90%	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL; 2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	14.8	MAX IV (BioMAX)	REFMAC	2022-11-25	37141227	-	-	-	-	N/A	-	-	1D1 FAB LIGHT CHAIN; Spike glycoprotein; 1D1 FAB HEAVY CHAIN	-	-		No	-		68.8	-	-		-
8bsf	2.20 Å	2023-05-17	X-ray	NAG	SARS-CoV-2	Spike		19.59%	22.94%	9.60%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.90%	13.0	MAX IV (BioMAX)	REFMAC	2022-11-25	37141227	-	-	-	-	N/A	-	-	Spike protein S1; 3D2 FAB LIGHT CHAIN; 3D2 FAB HEAVY CHAIN	-	-		No	-		55.6	-	-		-
8csj	3.53 Å	2023-05-17	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-05-12	-	-	-	-	-	N/A	-	-	4-33 heavy chain; 4-33 light chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8dk8	2.60 Å	2023-05-17	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.64%	28.36%	N/A		-	XDS	93.92%	9.36	CLSI (08B1-1)	PHENIX; PHENIX	2022-07-04	37122453	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		12.5	-	-		-
8dl9	1.90 Å	2023-05-17	X-ray	T4V	SARS-CoV-2	NSP5 (3CLpro)		18.10%	22.04%	6.50%	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(naphthalen-1-yl)methyl]piperazin-1-yl}ethan-1-one	CrysalisPro	99.90%	15.17	ROTATING ANODE ()	PHENIX	2022-07-07	36808989	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		64.7	-	-		-
8dlb	1.90 Å	2023-05-17	X-ray	SRU	SARS-CoV-2	NSP5 (3CLpro)		17.24%	20.61%	10.10%	1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one	1-[(5S)-5-(3,4-dimethoxyphenyl)-3-phenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one	CrysalisPro	99.70%	14.42	ROTATING ANODE ()	PHENIX	2022-07-07	36808989	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		77.2	-	-		-
8dmd	2.00 Å	2023-05-17	X-ray	SVL	SARS-CoV-2	NSP5 (3CLpro)		20.96%	24.02%	7.00%	1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one	1-[(3R)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one	CrysalisPro	99.80%	14.02	ROTATING ANODE ()	PHENIX	2022-07-08	36808989	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		44.6	-	-		-
8fwn	1.50 Å	2023-05-17	X-ray	PO4	SARS-CoV-2	NSP3: PLpro		18.16%	19.83%	N/A	PHOSPHATE ION	PHOSPHATE ION	autoPROC	99.99%	17.26	LNLS SIRUS (MANACA)	PHENIX	2023-01-23	-	ZN	-	-	-	N/A	-	-	Papain-like protease nsp3	-	-		No	-	-	82.8	-	-		-
8gia	1.86 Å	2023-05-17	X-ray	ZJ3	SARS-CoV-2	NSP3: Macro		20.84%	25.82%	18.40%	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate	[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5R)-3,4-dihydroxy-5-{[2-oxo-4-(trifluoromethyl)-2H-1-benzopyran-7-yl]oxy}oxolan-2-yl]methyl dihydrogen diphosphate	XDS	99.50%	6.9	APS (24-ID-E)	PHENIX	2023-03-13	37126856	-	-	-	-	N/A	-	-	Non-structural protein 3	-	-		No	-		28.0	-	-		-
8hn6	2.07 Å	2023-05-17	X-ray	-	SARS-CoV-2	Spike		19.20%	21.43%	N/A		-	xia2	99.90%	18.7	SSRF (BL19U1)	PHENIX	2022-12-07	37234155	-	-	-	-	N/A	-	-	Spike protein S1; Light chain of monoclonal antibody 3G10; Heavy chain of monoclonal antibody 3G10	-	-		No	-		70.4	-	-		-
8hn7	3.00 Å	2023-05-17	X-ray	NAG	SARS-CoV-2	Spike		23.24%	26.28%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	98.00%	13.2	SSRF (BL19U1)	PHENIX	2022-12-07	37234155	-	-	-	-	N/A	-	-	Spike protein S1; Heavy chain of monoclonal antibody 3C11; Light chain of monoclonal antibody 3C11	-	-		No	-		24.7	-	-		-
8if2	2.78 Å	2023-05-17	X-ray	NAG	SARS-CoV-2	Spike		19.96%	24.47%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.70%	14.4	SPring-8 (BL32XU)	PHENIX	2023-02-17	37169744	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike protein S1	-	-		No	-		40.5	-	-		-
7xsc	2.88 Å	2023-05-24	X-ray	-	SARS-CoV-2	Spike		20.04%	24.97%	20.30%		-	HKL-2000	99.40%	4.4	SSRF (BL18U1)	PHENIX	2022-05-13	36914890	-	-	-	-	N/A	-	-	P5S-2B10 Light chain; Spike protein S1 - receptor binding domain; P5S-2B10 Heavy chain	-	-		No	-		35.6	-	-		-
8cwi	1.87 Å	2023-05-24	X-ray	-	SARS-CoV-2	Spike		16.99%	20.49%	7.30%		-	XDS	98.50%	14.5	Australian Synchrotron (MX2)	PHENIX	2022-05-19	-	MG	-	-	-	N/A	-	-	Light chain of Fab arm of antibody 10G4; Spike protein S1 - receptor binding domain (RBD); Heavy chain of Fab arm of antibody 10G4	-	-		No	-	-	78.3	-	-		-
8cwj	2.45 Å	2023-05-24	X-ray	NAG	Pangolin CoV	Spike		19.62%	23.01%	11.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	100.00%	11.8	Australian Synchrotron (MX2)	PHENIX	2022-05-19	-	-	-	-	-	N/A	-	-	Light chain of CR3022 antibody Fab; Heavy chain of 4C12-B12 antibody Fab; Light chain of 4C12-B12 antibody Fab; Heavy chain of CR3022 antibody Fab; Spike glycoprotein	-	-		No	-	-	54.8	-	-		-
8cwk	2.37 Å	2023-05-24	X-ray	NAG	SARS-CoV-2	Spike		18.63%	22.32%	9.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.30%	10.9	Australian Synchrotron (MX2)	PHENIX	2022-05-19	-	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain (RBD); Light chain of Fab arm of antibody 4G1-C2; Heavy chain of Fab arm of antibody 4G1-C2; Light chain of Fab arm of antibody 10G4; Heavy chain of Fab arm of antibody 10G4	-	-		No	-	-	61.9	-	-		-
8dnn	3.12 Å	2023-05-24	X-ray	NAG	SARS-CoV-2	Spike		19.25%	25.20%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XPREP	99.79%	6.03	APS (23-ID-B)	PHENIX	2022-07-11	-	-	-	-	-	N/A	-	-	Spike protein S1; 80 FAB LIGHT CHAIN; 80 FAB HEAVY CHAIN	-	-		No	-	-	33.3	-	-		-
8gb5	3.35 Å	2023-05-24	X-ray	BCN	SARS-CoV-2	Spike		27.48%	31.96%	86.70%	BICINE	BICINE	HKL-2000	91.50%	1.3	APS (23-ID-D)	PHENIX	2023-02-24	37163615	-	-	-	-	N/A	-	-	25F9 Heavy chain; Spike protein S1 - Receptor binding domain, UNP residues 333-530; 25F9 Light chain	-	-		No	-		5.0	-	-		-
8gb6	1.75 Å	2023-05-24	X-ray	-	SARS-CoV-2	Spike		18.21%	22.07%	99.10%	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose	-	HKL-2000	97.20%	4.7	APS (23-ID-B)	PHENIX	2023-02-24	37163615	-	-	-	-	N/A	-	-	21B6 Heavy chain; 21B6 Light chain; Spike protein S1 - Receptor binding domain, UNP residues 333-530	-	-		No	-		64.5	-	-		-
8gb7	2.57 Å	2023-05-24	X-ray	-	SARS-CoV-2	Spike		20.39%	24.48%	98.60%		-	HKL-2000	98.90%	4.2	APS (23-ID-B)	PHENIX	2023-02-24	37163615	-	-	-	-	N/A	-	-	20A7 Heavy chain; 20A7 Light chain; Spike protein S1 - Receptor binding domain, UNP residues 333-530	-	-		No	-		40.4	-	-		-
8gb8	2.30 Å	2023-05-24	X-ray	NAG	SARS-CoV-2	Spike		19.95%	22.83%	99.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.40%	5.8	SSRL (BL12-1)	PHENIX	2023-02-24	37163615	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor binding domain, UNP residues 319-541; 20A7 Light chain; 20A7 Heavy chain	-	-		No	-		56.7	-	-		-
8ilc	2.20 Å	2023-05-24	X-ray	-	SARS-CoV-2	NSP3(C-term)		21.05%	23.92%	N/A		-	XDS	99.90%	19.3	PETRA III, DESY (P11)	PHENIX	2023-03-03	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - CoV-Y domain	-	-		No	-	-	45.6	-	-		-
8ios	2.50 Å	2023-05-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2023-03-13	37193706	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8iot	2.51 Å	2023-05-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2023-03-13	37193706	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8iou	3.18 Å	2023-05-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2023-03-13	37193706	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
8iov	3.29 Å	2023-05-24	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2023-03-13	37193706	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8otr	1.77 Å	2023-05-24	X-ray	SAM, W08, MES	SARS-CoV-2	NSP10/NSP16		18.80%	20.95%	5.61%	(2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide; S-ADENOSYLMETHIONINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	S-ADENOSYLMETHIONINE; (2S,3S,4R,5R)-5-(6-aminopurin-9-yl)-N-(1-methylpiperidin-4-yl)-3,4-bis(oxidanyl)oxolane-2-carboxamide; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	99.79%	8.41	PETRA III, DESY (P11)	PHENIX	2023-04-21	-	ZN	-	-	-	N/A	-	-	Non-structural protein 10; 2'-O-methyltransferase nsp16	-	-		No	-	-	74.5	-	-		-
8spj	2.08 Å	2023-05-24	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		21.68%	24.18%	10.40%		-	HKL-2000	98.50%	22.15	APS (19-ID)	REFMAC	2023-05-03	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	43.3	-	-		-
7vzt	3.41 Å	2023-05-31	X-ray	-	SARS-CoV-2	Spike		21.75%	26.26%	N/A		-	XDS	71.90%	12.6	SSRF (BL19U1)	PHENIX	2021-11-16	-	-	-	-	-	N/A	-	-	Spike protein S1; GH12-Heavy; GH12-LIGHT	-	-		No	-	-	24.7	-	-		-
7xeg	2.69 Å	2023-05-31	X-ray	-	SARS-CoV-2	Spike		19.50%	24.76%	18.90%		-	HKL-2000	99.50%	10.0	SSRF (BL19U1)	PHENIX	2022-03-31	-	-	-	-	-	N/A	-	-	CB6-092-Fab heavy chain; Spike protein S1; CB6-092-Fab light chain	-	-		No	-	-	37.6	-	-		-
7xei	2.76 Å	2023-05-31	X-ray	-	SARS-CoV-2	Spike		21.53%	26.29%	7.40%		-	XDS	91.80%	11.1	SSRF (BL10U2)	PHENIX	2022-03-31	-	-	-	-	-	N/A	-	-	CB6-092-Fab light chain; CB6-092-Fab heavy chain; Spike protein S1	-	-		No	-	-	24.6	-	-		-
7xjw	2.75 Å	2023-05-31	X-ray	K36	CCoV	NSP5 (3CLpro)		21.25%	23.28%	6.20%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	HKL-2000	99.30%	20.39	NSRRC (TPS 05A)	REFMAC	2022-04-18	35628479	-	-	-	-	N/A	-	-	ORF1a polyprotein	-	-		No	-		52.4	-	-		-
7xmn	2.30 Å	2023-05-31	X-ray	NAG, NNH, MES	SARS-CoV-2	ORF8		21.49%	24.53%	N/A	2-(N-MORPHOLINO)-ETHANESULFONIC ACID; NOR-N-OMEGA-HYDROXY-L-ARGININE; 2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose; NOR-N-OMEGA-HYDROXY-L-ARGININE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	XDS	96.80%	7.9	SSRF (BL18U1)	PHENIX; PHENIX	2022-04-26	-	-	-	-	-	N/A	-	-	Maltodextrin-binding protein; ORF8 protein	-	-		No	-	-	39.8	-	-		-
8h07	2.90 Å	2023-05-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-09-28	37069158	-	-	-	-	N/A	-	-	10-5B L chain; 6-2C L chain; 6-2C H chain; 10-5B H chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8h08	3.20 Å	2023-05-31	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-09-28	37069158	-	-	-	-	N/A	-	-	Spike glycoprotein; 10-5B H chain; 6-2C L chain; 6-2C H chain; 10-5B L chain	N/A	-		No	-		N/A	N/A	N/A		-
8osx	1.83 Å	2023-05-31	X-ray	SAM, MES, ATP	SARS-CoV-2	NSP10/NSP16		19.74%	22.32%	19.51%	S-ADENOSYLMETHIONINE; ADENOSINE-5'-TRIPHOSPHATE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	S-ADENOSYLMETHIONINE; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID; ADENOSINE-5'-TRIPHOSPHATE	XDS	99.55%	6.85	PETRA III, DESY (P11)	PHENIX	2023-04-20	-	ZN	-	-	-	N/A	-	-	2'-O-methyltransferase nsp16; Non-structural protein 10	-	-		No	-	-	61.9	-	-		-
7wt7	3.40 Å	2023-06-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-04	35977939	-	-	-	-	N/A	-	-	Heavy chain of Fab 9A8; Spike glycoprotein; Light chain of Fab 9A8	N/A	-		No	-		N/A	N/A	N/A		-
7wt8	3.60 Å	2023-06-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-02-04	35977939	-	-	-	-	N/A	-	-	light chain of Fab 9A8; Heavy chain of Fab 9A8; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7wt9	4.30 Å	2023-06-07	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-02-04	35977939	-	-	-	-	N/A	-	-	Light chain of Fab 9A8; Heavy chain of Fab 9A8; Spike glycoprotein - RBD	N/A	-		No	-		N/A	N/A	N/A		-
7y6d	4.39 Å	2023-06-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-20	37094167	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8d4p	2.04 Å	2023-06-07	X-ray	QAO	SARS-CoV-2	NSP5 (3CLpro)		18.90%	25.66%	7.90%	2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide	2-chloro-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-[4-(pentafluoro-lambda~6~-sulfanyl)phenyl]acetamide	HKL-3000	99.00%	20.66	APS (19-ID)	REFMAC	2022-06-02	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	29.5	-	-		-
8d55	2.80 Å	2023-06-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-04	37430064	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8d56	3.00 Å	2023-06-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-04	37430064	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8d5a	3.10 Å	2023-06-07	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-04	37430064	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8sk4	2.00 Å	2023-06-07	X-ray	IMD, I3R	SARS-CoV-2	NSP5 (3CLpro)		19.36%	23.59%	7.80%	IMIDAZOLE; 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one	IMIDAZOLE; 2-chloro-1-[(5R)-3-phenyl-5-(quinoxalin-5-yl)-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one	XDS	92.20%	15.5	APS (17-ID)	BUSTER	2023-04-18	37069799	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		49.1	-	-		-
8skh	1.88 Å	2023-06-07	X-ray	A1W	SARS-CoV-2	NSP5 (3CLpro)		18.44%	23.07%	3.90%	2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one	2-chloro-1-[(4R,5R)-3,4,5-triphenyl-4,5-dihydro-1H-pyrazol-1-yl]ethan-1-one	XDS	82.70%	18.6	APS (17-ID)	BUSTER	2023-04-19	37069799	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		54.4	-	-		-
8a23	2.80 Å	2023-06-14	X-ray	KW6	SARS-CoV-2	NSP10/NSP16		23.30%	25.58%	44.75%	(2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol	(2R,3R,4S,5R)-2-[4-azanyl-5-(2-quinolin-3-ylethynyl)pyrrolo[2,3-d]pyrimidin-7-yl]-5-(hydroxymethyl)oxolane-3,4-diol	XDS	99.73%	6.07	ROTATING ANODE ()	PHENIX	2022-06-02	-	ZN	-	-	-	N/A	-	-	Non-structural protein 10; 2'-O-methyltransferase nsp16	-	-		No	-	-	30.2	-	-		-
8d34	2.91 Å	2023-06-14	X-ray	-	SARS-CoV-2	NSP15		24.62%	26.26%	26.20%		-	HKL-2000	100.00%	4.3	ROTATING ANODE ()	PHENIX	2022-05-31	-	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease nsp15	-	-		No	-	-	24.7	-	-		-
8dt8	3.34 Å	2023-06-14	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-07-25	37276407	-	-	-	-	N/A	-	-	Nb136 nanobody; Spike glycoprotein; LM18 nanobody	N/A	-		No	-		N/A	N/A	N/A		-
8eoo	2.77 Å	2023-06-14	X-ray	NAG	SARS-CoV-2	Spike		19.37%	25.51%	14.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.70%	11.0	APS (24-ID-E)	PHENIX	2022-10-03	37395646	-	-	-	-	N/A	-	-	WRAIR-2063 antibody Fab heavy chain; Spike protein S1 - receptor binding domain (RBD); WRAIR-2151 antibody Fab heavy chain; WRAIR-2063 antibody Fab light chain; WRAIR-2151 antibody Fab light chain	-	-		No	-		30.6	-	-		-
8sxo	2.76 Å	2023-06-14	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.14%	24.36%	9.60%		-	HKL-2000	93.00%	12.21	APS (19-ID)	REFMAC	2023-05-23	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	41.5	-	-		-
7y6l	3.50 Å	2023-06-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-06-21	37288342	-	-	-	-	N/A	-	-	Spike glycoprotein; Ab816 light chain; Ab816 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7y6n	4.40 Å	2023-06-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-06-21	37288342	-	-	-	-	N/A	-	-	Spike glycoprotein; Ab803 light chain; Ab803 heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8epn	2.80 Å	2023-06-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-10-06	37285422	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8epp	3.10 Å	2023-06-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-10-06	37285422	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8epq	3.30 Å	2023-06-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-10-06	37285422	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8hur	1.64 Å	2023-06-21	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		20.07%	22.61%	2.80%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	XDS	93.20%	19.2	SSRF (BL02U1)	PHENIX; PHENIX	2022-12-24	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	59.0	-	-		-
8hus	1.97 Å	2023-06-21	X-ray	7YY	SARS-CoV	NSP5 (3CLpro)		20.55%	23.72%	2.60%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	XDS	95.20%	10.1	SSRF (BL02U1)	PHENIX; PHENIX	2022-12-24	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	47.6	-	-		-
8hut	1.98 Å	2023-06-21	X-ray	7YY	MERS-CoV	NSP5 (3CLpro)		21.39%	25.38%	12.30%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	XDS	97.10%	14.9	SSRF (BL02U1)	PHENIX; PHENIX	2022-12-24	-	-	-	-	-	N/A	-	-	ORF1a	-	-		No	-	-	31.9	-	-		-
8huu	1.71 Å	2023-06-21	X-ray	7YY	HCoV-NL63	NSP5 (3CLpro)		18.82%	21.73%	4.60%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	XDS	98.10%	18.8	SSRF (BL02U1)	PHENIX; PHENIX	2022-12-24	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	67.7	-	-		-
8huv	1.97 Å	2023-06-21	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		20.74%	24.71%	4.90%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	XDS	98.20%	11.6	SSRF (BL02U1)	PHENIX; PHENIX	2022-12-24	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	38.0	-	-		-
8huw	1.75 Å	2023-06-21	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		19.63%	22.79%	4.10%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	XDS	97.70%	18.7	SSRF (BL02U1)	PHENIX; PHENIX	2022-12-24	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	57.3	-	-		-
8hux	1.74 Å	2023-06-21	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		20.67%	24.49%	3.80%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	XDS	99.10%	27.4	SSRF (BL02U1)	PHENIX; PHENIX	2022-12-24	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	40.4	-	-		-
8idn	3.35 Å	2023-06-21	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2023-02-13	37428848	-	-	-	-	N/A	-	-	E77 Fab heavy chain; E77 Fab light chain; Spike protein S1 - Receptor binding domain	N/A	-		No	-		N/A	N/A	N/A		-
8j1q	3.30 Å	2023-06-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; AM047-0; AM032-0	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-04-13	37375202	-	-	-	-	N/A	-	-	AM047-0; Fab Light chain (REGN10987); Fab heavy chain (REGN10987); AM032-0; Spike protein S1 - RBD	N/A	-		No	-		N/A	N/A	N/A		-
8j26	3.40 Å	2023-06-21	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	AM047-6; 2-acetamido-2-deoxy-beta-D-glucopyranose; AM032-4	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-04-14	37375202	-	-	-	-	N/A	-	-	Fab light chain (REGN10987); AM047-6; Spike protein S1 - RBD; Fab heavy chain (REGN10987); AM032-4	N/A	-		No	-		N/A	N/A	N/A		-
7ytn	3.51 Å	2023-06-28	X-ray	-	SARS-CoV-2	Spike		23.67%	27.35%	N/A		-	HKL-2000	91.80%	9.8	PAL/PLS (5C (4A))	PHENIX	2022-08-15	36466915	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; Heavy chain of Fab; Light chain of Fab	-	-		No	-		17.5	-	-		-
7yve	3.40 Å	2023-06-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	Spike glycoprotein; TH027 Fab light chain; TH027 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7yvf	3.40 Å	2023-06-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	TH027 Fab light chain; Spike glycoprotein; TH027 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7yvg	3.40 Å	2023-06-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	TH132 Fab heavy chain; TH132 Fab light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7yvh	3.60 Å	2023-06-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	Spike glycoprotein; TH132 Fab heavy chain; TH132 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7yvi	3.70 Å	2023-06-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	Spike glycoprotein; TH236 Fab heavy chain; TH236 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7yvj	3.60 Å	2023-06-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	Spike glycoprotein; TH236 Fab heavy chain; TH236 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7yvk	3.20 Å	2023-06-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	Spike glycoprotein; TH272 Fab heavy chain; TH272 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7yvl	3.30 Å	2023-06-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	Spike glycoprotein; TH272 Fab light chain; TH272 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7yvm	3.50 Å	2023-06-28	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	TH281 Fab heavy chain; TH281 Fab light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7yvn	3.40 Å	2023-06-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	TH281 Fab heavy chain; Spike glycoprotein; TH281 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7yvo	3.30 Å	2023-06-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	TH27 Fab light chain; TH132 Fab heavy chain; TH27 Fab heavy chain; TH132 Fab light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7yvp	3.80 Å	2023-06-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-19	37322000	-	-	-	-	N/A	-	-	Spike glycoprotein; TH272 Fab heavy chain; TH272 Fab light chain; TH281 Fab light chain; TH281 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7z8o	0.96 Å	2023-06-28	X-ray	KZ0	SARS-CoV-2	Spike		15.20%	16.91%	6.10%	Stapled peptide; 2,4,6-tris(chloromethyl)-1,3,5-triazine	2,4,6-tris(chloromethyl)-1,3,5-triazine	XDS	99.20%	19.6	Diamond (I04)	REFMAC	2022-03-18	37328472	-	-	-	-	N/A	-	-	Stapled peptide; Spike protein S1	-	-		No	-		95.3	-	-		-
8aaa	1.90 Å	2023-06-28	X-ray	29N	SARS-CoV-2	Spike		22.67%	23.57%	24.70%	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one; Stapled peptide	1,1',1''-(1,3,5-triazinane-1,3,5-triyl)tripropan-1-one	XDS	91.50%	9.3	Diamond (I04)	BUSTER	2022-06-30	37328472	-	-	-	-	N/A	-	-	Stapled peptide; Spike protein S1	-	-		No	-		49.3	-	-		-
8bon	3.20 Å	2023-06-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; Macrocyclic peptide S1B3inL1	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-15	37339194	-	-	-	-	N/A	-	-	Macrocyclic peptide S1B3inL1; Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
8ddl	1.95 Å	2023-06-28	X-ray	NA, PGE	SARS-CoV-2	NSP5 (3CLpro)		16.83%	20.67%	16.90%	TRIETHYLENE GLYCOL	SODIUM ION; TRIETHYLENE GLYCOL	DIALS	100.00%	6.4	CHESS (F1)	PHENIX	2022-06-18	37699927	-	-	-	-	N/A	-	-	ORF1a polyprotein; ORF1a polyprotein	-	-		No	-		76.8	-	-		-
8dib	2.17 Å	2023-06-28	X-ray	TKX	SARS-CoV-2	NSP5 (3CLpro)		22.12%	27.64%	16.30%	5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde	5-bromo-3-[(4-chloro-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde	XDS	98.60%	8.5	SSRL (BL12-2)	PHENIX	2022-06-29	37354015	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		15.9	-	-		-
8dic	2.09 Å	2023-06-28	X-ray	TNI	SARS-CoV-2	NSP5 (3CLpro)		22.51%	28.17%	15.00%	5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde	5-bromo-3-[(3-bromo-4-chlorophenyl)methoxy]pyridine-2-carbaldehyde	XDS	98.50%	8.8	SSRL (BL12-2)	PHENIX	2022-06-29	37354015	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		13.4	-	-		-
8die	1.90 Å	2023-06-28	X-ray	U1J	SARS-CoV-2	NSP5 (3CLpro)		25.37%	30.35%	46.00%	5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde	5-bromo-3-[(4-methyl-3-nitrophenyl)methoxy]pyridine-2-carbaldehyde	XDS	98.50%	4.5	SSRL (BL12-2)	PHENIX	2022-06-29	37354015	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		6.8	-	-		-
8dif	1.98 Å	2023-06-28	X-ray	U1R	SARS-CoV-2	NSP5 (3CLpro)		24.03%	29.44%	9.20%	5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde	5-bromo-3-[(naphthalen-2-yl)methoxy]pyridine-2-carbaldehyde	XDS	96.80%	12.3	ALS (8.3.1)	PHENIX	2022-06-29	37354015	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		8.7	-	-		-
8dig	2.45 Å	2023-06-28	X-ray	U26	SARS-CoV-2	NSP5 (3CLpro)		21.42%	27.05%	32.40%	(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione	(3P)-1-[(4-fluorophenyl)methyl]-3-(isoquinolin-4-yl)imidazolidine-2,4-dione	XDS	97.90%	10.3	ALS (8.3.1)	PHENIX	2022-06-29	37354015	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		19.2	-	-		-
8dih	2.12 Å	2023-06-28	X-ray	U2B	SARS-CoV-2	NSP5 (3CLpro)		21.14%	27.60%	4.90%	(1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione	(1P,1'R)-1-(isoquinolin-4-yl)-2',3'-dihydrospiro[imidazolidine-4,1'-indene]-2,5-dione	XDS	97.00%	19.1	ALS (8.3.1)	PHENIX	2022-06-29	37354015	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		16.1	-	-		-
8dii	2.59 Å	2023-06-28	X-ray	U2I	SARS-CoV-2	NSP5 (3CLpro)		21.45%	27.13%	18.20%	(2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide	(2S)-N-(isoquinolin-4-yl)-2-methyl-2,3-dihydro-1,4-benzoxazepine-4(5H)-carboxamide	XDS	99.90%	8.6	ALS (8.3.1)	PHENIX	2022-06-29	37354015	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		18.8	-	-		-
8e1g	2.57 Å	2023-06-28	X-ray	NAG	SARS-CoV-2	Spike		19.59%	24.39%	8.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.40%	16.1	APS (31-ID)	PHENIX	2022-08-10	37083327	-	-	-	-	N/A	-	-	2A10 Fab, heavy chain; 2A10 Fab, light chain; Spike protein S1	-	-		No	-		41.3	-	-		-
8gou	3.70 Å	2023-06-28	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-25	37322000	-	-	-	-	N/A	-	-	TH003 Fab heavy chain; TH003 Fab light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8gpy	2.51 Å	2023-06-28	X-ray	-	SARS-CoV-2	Spike		21.49%	25.07%	12.50%		-	HKL-2000	100.00%	6.3	SSRF (BL10U2)	PHENIX	2022-08-27	37322000	-	-	-	-	N/A	-	-	scFv light chain; Spike protein S1; scFv heavy chain	-	-		No	-		34.6	-	-		-
8smt	3.16 Å	2023-06-28	X-ray	NAG	SARS-CoV-2	Spike		21.44%	24.86%	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.70%	7.15	APS (24-ID-E)	PHENIX	2023-04-26	-	-	-	-	-	N/A	-	-	WRAIR-2134 Fab light chain; WRAIR-2134 Fab heavy chain; Spike protein S1 - receptor binding domain	-	-		No	-	-	36.6	-	-		-
7yc5	3.10 Å	2023-07-05	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-06-30	-	-	-	-	-	N/A	-	-	Heavy chain from K202.B, bispecific antibody; Spike glycoprotein; Light chain from K202.B, bispecific antibody	N/A	-		No	-	-	N/A	N/A	N/A		-
7yco	1.96 Å	2023-07-05	X-ray	NAG	SARS-CoV-2	Spike		23.55%	25.85%	8.47%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.93%	19.88	PAL/PLS (5C (4A))	PHENIX	2022-07-01	-	-	-	-	-	N/A	-	-	Spike protein S1; Repebody (A6)	-	-		No	-	-	27.8	-	-		-
8cim	3.00 Å	2023-07-05	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2023-02-10	-	-	-	-	-	N/A	-	-	BA.2-07 FAB LIGHT CHAIN; BA.2-07 FAB HEAVY CHAIN; Spike glycoprotein,Fibritin	N/A	-		No	-	-	N/A	N/A	N/A		-
8did	1.95 Å	2023-07-05	X-ray	U0R	SARS-CoV-2	NSP5 (3CLpro)		25.39%	29.42%	17.00%	5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde	5-bromo-3-[(5-bromo-2-chlorophenyl)methoxy]pyridine-2-carbaldehyde	XDS	98.60%	7.4	SSRL (BL12-2)	PHENIX	2022-06-29	37354015	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		8.7	-	-		-
8elo	2.72 Å	2023-07-05	X-ray	NAG	SARS-CoV-2	Spike		22.00%	26.12%	11.70%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	96.90%	8.4	SSRL (BL12-1)	PHENIX	2022-09-26	37276407	-	-	-	-	N/A	-	-	CC12.1 Fab light chain; Spike protein S1 - Receptor binding domain, UNP residues 333-530; Nanobody Nb-C4-225; CC12.1 Fab heavy chain	-	-		No	-		25.7	-	-		-
8elp	2.83 Å	2023-07-05	X-ray	NAG	SARS-CoV-2	Spike		23.81%	28.38%	95.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	96.80%	4.7	SSRL (BL12-2)	PHENIX	2022-09-26	37276407	-	-	-	-	N/A	-	-	CC12.1 Fab light chain; CC12.1 Fab heavy chain; Nanobody Nb-C4-240; Spike protein S1 - Receptor binding domain, UNP residues 333-530	-	-		No	-		12.5	-	-		-
8elq	2.21 Å	2023-07-05	X-ray	NAG	SARS-CoV-2	Spike		23.44%	28.49%	13.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	96.40%	5.7	APS (23-ID-B)	PHENIX	2022-09-26	37276407	-	-	-	-	N/A	-	-	CC12.1 Fab heavy chain; CC12.1 Fab light chain; Nanobody Nb-C4-255; Spike protein S1 - Receptor binding domain, UNP residues 333-530	-	-		No	-		12.0	-	-		-
7xd2	3.30 Å	2023-07-12	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-03-26	37069158	-	-	-	-	N/A	-	-	H chain of antibody 10-5B; Spike glycoprotein; L chian of antibody 10-5B	N/A	-		No	-		N/A	N/A	N/A		-
7y1y	3.30 Å	2023-07-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-09	37376697	-	-	-	-	N/A	-	-	Spike glycoprotein; Processed angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7y1z	3.40 Å	2023-07-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-09	37376697	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ybi	4.10 Å	2023-07-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-06-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ybj	3.73 Å	2023-07-12	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-06-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7yd1	2.99 Å	2023-07-12	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-07-02	-	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; XG005-VL; XG005-VH	N/A	-		No	-	-	N/A	N/A	N/A		-
8gfk	2.00 Å	2023-07-12	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		16.85%	20.61%	9.00%		-	CrysalisPro	99.90%	13.2	ROTATING ANODE ()	PHENIX	2023-03-08	37271339	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		77.2	-	-		-
8gfn	1.80 Å	2023-07-12	X-ray	ZGI	SARS-CoV-2	NSP5 (3CLpro)		17.19%	20.62%	5.90%	(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S)-1-(1,3-benzothiazol-2-yl)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	CrysalisPro	93.70%	10.3	ROTATING ANODE ()	PHENIX	2023-03-08	37271339	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		77.1	-	-		-
8gfo	2.00 Å	2023-07-12	X-ray	ZH0	SARS-CoV-2	NSP5 (3CLpro)		16.84%	20.15%	8.60%	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide	CrysalisPro	99.60%	11.2	ROTATING ANODE ()	PHENIX	2023-03-08	37271339	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		80.7	-	-		-
8gfr	2.00 Å	2023-07-12	X-ray	ZGO	SARS-CoV-2	NSP5 (3CLpro)		16.34%	20.15%	6.60%	(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl}-6,6-dimethyl-3-[3-methyl-N-({1-[(2-methylpropane-2-sulfonyl)methyl]cyclohexyl}carbamoyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	CrysalisPro	94.90%	16.5	ROTATING ANODE ()	PHENIX	2023-03-08	37271339	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		80.7	-	-		-
8gfu	1.80 Å	2023-07-12	X-ray	ZGW	SARS-CoV-2	NSP5 (3CLpro)		16.56%	19.33%	4.80%	Nirmatrelvir	Nirmatrelvir	CrysalisPro	99.30%	20.3	ROTATING ANODE ()	PHENIX	2023-03-08	37271339	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		86.0	-	-		-
8gqc	1.35 Å	2023-07-12	X-ray	-	SARS-CoV-2	NSP3(SUD-M)		13.95%	16.23%	4.20%		-	XDS	96.00%	1.2	SLS (X06DA)	PHENIX	2022-08-30	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - SUD domain	-	-		No	-	-	96.7	-	-		-
8gto	3.20 Å	2023-07-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-09-08	37015915	-	-	-	-	N/A	-	-	heavy chain of XGv282; Spike glycoprotein; light chain of XGv282	N/A	-		No	-		N/A	N/A	N/A		-
8gtp	3.10 Å	2023-07-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-09-08	37015915	-	-	-	-	N/A	-	-	heavy chain of XGv289; light chain of XGv289; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8gtq	3.10 Å	2023-07-12	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-09-08	37015915	-	-	-	-	N/A	-	-	light chain of S2L20; Spike glycoprotein; heavy chain of S2L20	N/A	-		No	-		N/A	N/A	N/A		-
8hbl	1.58 Å	2023-07-12	X-ray	PO4, LI	SARS-CoV-2	NSP3(SUD-M)		13.87%	17.96%	7.10%	PHOSPHATE ION; LITHIUM ION	PHOSPHATE ION; LITHIUM ION	XDS	99.60%	21.99	SLS (X10SA)	PHENIX	2022-10-29	-	LI	-	-	-	N/A	-	-	Non-structural protein 3	-	-		No	-	-	92.3	-	-		-
7y6k	3.34 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-20	-	-	-	-	-	N/A	-	-	Fab region of heavy chain from K202.B, bispecific antibody; scFv region of light chain from K202.B, bispecific antibody; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ybg	1.90 Å	2023-07-19	X-ray	DTT, MLA, NA	SARS-CoV-2	NSP3: PLpro		17.28%	20.65%	13.20%	2,3-DIHYDROXY-1,4-DITHIOBUTANE; SODIUM ION; MALONIC ACID	2,3-DIHYDROXY-1,4-DITHIOBUTANE; MALONIC ACID; SODIUM ION	XDS	99.90%	14.8	SSRF (BL18U1)	BUSTER	2022-06-29	-	ZN; NA	-	-	-	N/A	-	-	Papain-like protease nsp3	-	-		No	-	-	76.9	-	-		-
7yh6	3.40 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-12	37452031	-	-	-	-	N/A	-	-	Spike protein S1; NIV-8 Fab heavy chain; NIV-8 Fab light chain	N/A	-		No	-		N/A	N/A	N/A		-
7yh7	3.30 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-07-13	37452031	-	-	-	-	N/A	-	-	Spike glycoprotein; NIV-8 Fab light chain; NIV-8 Fab heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
7yhw	3.09 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-07-14	37479708	ZN	-	-	-	N/A	-	-	Spike protein S1 - RBD; Angiotensin-converting enzyme 2	N/A	-		No	-		N/A	N/A	N/A		-
7yj3	3.14 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-07-19	37479708	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2; Spike protein S1 - RBD	N/A	-		No	-		N/A	N/A	N/A		-
7yv8	2.94 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-18	37479708	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme; Spike glycoprotein - RBD	N/A	-		No	-		N/A	N/A	N/A		-
7yvu	3.20 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-19	37479708	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike protein S1 - RBD	N/A	-		No	-		N/A	N/A	N/A		-
8el2	2.89 Å	2023-07-19	X-ray	NAG	SARS-CoV-2	Spike		23.87%	28.15%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	11.7	APS (23-ID-D)	PHENIX	2022-09-22	37531329	ZN	-	-	-	N/A	-	-	Fab ICO-hu23 Heavy Chain; Fab ICO-hu23 Light Chain; Spike protein S1	-	-		No	-		13.4	-	-		-
8elj	3.60 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-09-24	37531329	-	-	-	-	N/A	-	-	ICO-hu23 antibody Fab heavy chain; ICO-hu23 antibody Fab light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8gry	3.29 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-03	37479708	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike protein S1 - RBD	N/A	-		No	-		N/A	N/A	N/A		-
8h06	2.66 Å	2023-07-19	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-09-28	37479708	ZN	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike protein S1 - RBD	N/A	-		No	-		N/A	N/A	N/A		-
8h0i	2.80 Å	2023-07-19	Cryo-EM	-	HIV-1	Spike		N/A	N/A	N/A	RNA (5'-R(CPGPGPUPUPGPAPUPCPGPUPUPUPUPAPAPCPAP*A)-3')	-		-	-	()	PHENIX	2022-09-29	37419875	ZN	-	-	-	N/A	-	-	RNA (5'-R(CPGPGPUPUPGPAPUPCPGPUPUPUPUPAPAPCPAP*A)-3'); APOBEC3G; Viral infectivity factor; Core binding factor beta	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(CPGPGPUPUPGPAPUPCPGPUPUPUPUPAPAPCPAP*A)-3')	-
8h5c	2.90 Å	2023-07-19	X-ray	NAG	SARS-CoV-2	Spike		19.67%	24.24%	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	97.00%	12.1	SSRF (BL02U1)	PHENIX	2022-10-12	37479708	ZN	-	-	-	N/A	-	-	Spike protein S1; Processed angiotensin-converting enzyme 2	-	-		No	-		42.6	-	-		-
8j62	2.50 Å	2023-07-19	Cryo-EM	-	HIV-1	Spike		N/A	N/A	N/A	RNA (5'-R(CPGPGPUPUPGPAPUPUPGPUPUPUPUPAPAPCPAP*A)-3')	-		-	-	()	PHENIX	2023-04-24	37419875	ZN	-	-	-	N/A	-	-	RNA (5'-R(CPGPGPUPUPGPAPUPUPGPUPUPUPUPAPAPCPAP*A)-3'); APOBEC3G; Viral infectivity factor; Core binding factor beta	N/A	-		No	-		N/A	N/A	N/A	RNA (5'-R(CPGPGPUPUPGPAPUPUPGPUPUPUPUPAPAPCPAP*A)-3')	-
7ur9	2.16 Å	2023-07-26	X-ray	O5F	SARS-CoV-2	NSP5 (3CLpro)		16.06%	19.99%	11.90%		(2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide	MOSFLM	99.95%	8.2	ALS (8.2.1)	PHENIX	2022-04-21	37542196	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		81.8	-	-		-
7urb	2.14 Å	2023-07-26	X-ray	O5O	SARS-CoV-2	NSP5 (3CLpro)		20.04%	25.40%	N/A	(2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide	(2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide	iMOSFLM	91.32%	7.64	ALS (8.2.1)	PHENIX	2022-04-21	37542196	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		31.6	-	-		-
7us4	2.07 Å	2023-07-26	X-ray	O69	SARS-CoV-2	NSP5 (3CLpro)		18.09%	23.53%	N/A		(2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide	MOSFLM	99.85%	14.43	ALS (8.2.1)	PHENIX	2022-04-22	37542196	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		49.6	-	-		-
8cmb	1.84 Å	2023-07-26	X-ray	DHL	SARS-CoV-2	Spike		19.31%	23.12%	12.60%	2-AMINO-ETHANETHIOL; Spike protein S2'	2-AMINO-ETHANETHIOL	XDS	100.00%	7.71	Diamond (I04)	PHENIX	2023-02-19	37471227	-	-	-	-	N/A	-	-	Human leukocyte antigen DR beta chain allotype DR1 (DRB1*0101); Spike protein S2'; HLA class II histocompatibility antigen, DR alpha chain	-	-		No	-		53.8	-	-		-
8cmc	1.42 Å	2023-07-26	X-ray	MES	SARS-CoV-2	Spike		18.64%	20.85%	11.60%	Spike protein S2'; 2-(N-MORPHOLINO)-ETHANESULFONIC ACID	2-(N-MORPHOLINO)-ETHANESULFONIC ACID	DIALS	99.98%	16.93	Diamond (I04)	PHENIX	2023-02-19	37471227	-	-	-	-	N/A	-	-	Human leukocyte antigen DR beta chain allotype DR1 (DRB1*0101); Spike protein S2'; HLA class II histocompatibility antigen, DR alpha chain	-	-		No	-		75.3	-	-		-
8frj	1.57 Å	2023-07-26	X-ray	AW2	SARS-CoV-2	NSP14		16.98%	20.43%	10.50%	5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine	5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine	XDS	94.30%	10.7	NSLS-II (17-ID-2)	PHENIX	2023-01-07	37523415	ZN	-	-	-	N/A	-	-	Transcription factor ETV6,Guanine-N7 methyltransferase nsp14 chimera	-	-		No	-		78.6	-	-		-
8frk	1.61 Å	2023-07-26	X-ray	EOH, MJ7, K	SARS-CoV-2	NSP14		21.72%	25.11%	6.20%	ETHANOL; POTASSIUM ION; 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine	ETHANOL; 5'-S-(4-{[(4'-chloro[1,1'-biphenyl]-3-yl)methyl]amino}butyl)-5'-thioadenosine; POTASSIUM ION	XDS	94.30%	9.3	NSLS-II (17-ID-1)	PHENIX	2023-01-07	37523415	ZN; K	-	-	-	N/A	-	-	Transcription factor ETV6,Guanine-N7 methyltransferase nsp14 chimera	-	-		No	-		34.1	-	-		-
7wq8	2.20 Å	2023-08-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		17.82%	22.21%	6.70%	Z-DEVD-FMK	-	HKL-2000	98.83%	19.69	NSRRC (BL15A1)	REFMAC	2022-01-24	-	-	-	-	-	N/A	-	-	3C-like proteinase; Z-DEVD-FMK	-	-		No	-	-	63.0	-	-		-
7wq9	2.05 Å	2023-08-02	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		20.97%	24.63%	5.90%	Z-IETD-FMK	-	HKL-2000	99.50%	20.47	NSRRC (BL15A1)	REFMAC	2022-01-25	-	-	-	-	-	N/A	-	-	Z-IETD-FMK; 3C-like proteinase	-	-		No	-	-	38.8	-	-		-
7wqb	1.87 Å	2023-08-02	X-ray	ALD	SARS-CoV-2	NSP5 (3CLpro)		18.78%	22.77%	4.40%	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	HKL-2000	99.60%	29.27	NSRRC (TPS 05A)	PHENIX	2022-01-25	-	MG	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	57.5	-	-		-
7wqk	2.15 Å	2023-08-02	X-ray	ALD	SARS-CoV-2	NSP5 (3CLpro)		22.81%	28.92%	4.60%	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	N-[(benzyloxy)carbonyl]-L-leucyl-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]-L-leucinamide	HKL-2000	98.20%	28.582	NSRRC (BL15A1)	REFMAC	2022-01-25	-	MG	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	10.2	-	-		-
7y71	3.12 Å	2023-08-02	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-21	37494438	-	-	-	-	N/A	-	-	Fab E7 heavy chain; Fab E7 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7y72	4.03 Å	2023-08-02	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-06-21	37494438	-	-	-	-	N/A	-	-	Fab E7 heavy chain; Fab E7 light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8dpz	3.38 Å	2023-08-02	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-07-18	-	-	-	-	-	N/A	-	-	DH1338 Fab Heavy Chain; DH1338 Fab Light Chain; Spike protein S1	N/A	-		No	-	-	N/A	N/A	N/A		-
8dtk	3.77 Å	2023-08-02	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-07-25	-	-	-	-	-	N/A	-	-	DH1047 Fab Light Chain; DH1047 Fab Heavy Chain; Spike protein S1	N/A	-		No	-	-	N/A	N/A	N/A		-
8ohn	3.40 Å	2023-08-02	Cryo-EM	NAG	HKU1	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-03-21	37794193	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8opm	3.70 Å	2023-08-02	Cryo-EM	NAG	HKU1	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2023-04-07	37794193	-	-	-	-	N/A	-	-	Spike glycoprotein,General control transcription factor GCN4	N/A	-		No	-		N/A	N/A	N/A		-
8opn	4.70 Å	2023-08-02	Cryo-EM	NAG	HKU1	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2023-04-07	37794193	-	-	-	-	N/A	-	-	Spike glycoprotein,General control transcription factor GCN4	N/A	-		No	-		N/A	N/A	N/A		-
8opo	3.60 Å	2023-08-02	Cryo-EM	NAG	HKU1	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2023-04-07	37794193	-	-	-	-	N/A	-	-	Spike glycoprotein,General control transcription factor GCN4	N/A	-		No	-		N/A	N/A	N/A		-
8sph	2.71 Å	2023-08-02	X-ray	NAG	SARS-CoV-2	Spike		21.88%	28.29%	15.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	autoPROC	85.50%	5.3	APS (24-ID-C)	PHENIX	2023-05-03	37578233	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2 - UNP residues 19-615; Spike protein S1 - receptor-binding domain	-	-		No	-		12.9	-	-		-
8spi	3.06 Å	2023-08-02	X-ray	NAG	SARS-CoV-2	Spike		18.99%	24.35%	12.10%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	autoPROC	86.80%	6.8	APS (24-ID-E)	PHENIX	2023-05-03	37578233	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme 2 - UNP residues 19-615; Spike protein S1 - receptor-binding domain	-	-		No	-		41.6	-	-		-
7y20	3.80 Å	2023-08-09	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-09	37376697	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7y21	2.80 Å	2023-08-09	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-09	37376697	-	-	-	-	N/A	-	-	Processed angiotensin-converting enzyme 2; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7ybh	3.50 Å	2023-08-09	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ybl	3.60 Å	2023-08-09	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ybm	3.45 Å	2023-08-09	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ymt	6.55 Å	2023-08-09	Cryo-EM	NAG	MERS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; alpha-L-fucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ymv	6.74 Å	2023-08-09	Cryo-EM	NAG	MERS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ymw	6.05 Å	2023-08-09	Cryo-EM	NAG	MERS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ymx	4.44 Å	2023-08-09	Cryo-EM	NAG	MERS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ymy	4.96 Å	2023-08-09	Cryo-EM	NAG	MERS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ymz	4.39 Å	2023-08-09	Cryo-EM	NAG	MERS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7yn0	4.10 Å	2023-08-09	Cryo-EM	NAG	MERS-CoV	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-07-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8b56	1.82 Å	2023-08-09	X-ray	OZI, BR	SARS-CoV-2	NSP5 (3CLpro)		18.49%	23.14%	14.20%	BROMIDE ION; (2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide	(2~{S})-4-(2-chloranylethanoyl)-1-(3,4-dichlorophenyl)-~{N}-(thiophen-2-ylmethyl)piperazine-2-carboxamide; BROMIDE ION	XDS	64.10%	11.4	PETRA III, EMBL c/o DESY (P14 (MX2))	PHENIX	2022-09-21	36475694	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		53.6	-	-		-
8fiv	2.51 Å	2023-08-09	X-ray	Y0I	SARS-CoV-2	NSP5 (3CLpro)		21.04%	27.71%	93.10%	(3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide	(3Z)-N-([1,1'-biphenyl]-4-yl)-3-imino-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]propanamide	HKL-3000	92.40%	7.7	APS (19-ID)	REFMAC	2022-12-16	37482021	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		15.5	-	-		-
8fiw	2.54 Å	2023-08-09	X-ray	Y1E, Y0E	SARS-CoV-2	NSP5 (3CLpro)		21.82%	26.27%	96.20%	N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide; N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide	N-([1,1'-biphenyl]-4-yl)-N-[(1S)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide; N-([1,1'-biphenyl]-4-yl)-N-[(1R)-2-oxo-2-{[(1S)-1-phenylethyl]amino}-1-(pyridin-3-yl)ethyl]prop-2-enamide	HKL-3000	92.80%	6.7	APS (19-ID)	REFMAC	2022-12-16	37482021	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		24.7	-	-		-
8tbe	2.15 Å	2023-08-09	X-ray	ZQB	SARS-CoV-2	NSP5 (3CLpro)		22.91%	29.86%	20.00%	Pomotrelvir bound form	Pomotrelvir bound form	XDS	98.80%	5.1	ALBA (XALOC)	REFMAC	2023-06-28	37800975	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		7.6	-	-		-
7yrz	1.79 Å	2023-08-16	X-ray	4WI	H-CoV-229E	NSP5 (3CLpro)		19.15%	21.96%	3.60%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	99.10%	13.7	SSRF (BL02U1)	PHENIX	2022-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	65.6	-	-		-
8a95	2.64 Å	2023-08-16	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-27	36574772	-	-	-	-	N/A	-	-	Fab47 (Heavy chain variable domain); Fab47 (Light chain variable domain); SARS-CoV2 Trimeric Spike in 1-up conformation in complex with three Fab47	N/A	-		No	-		N/A	N/A	N/A		-
8aiq	2.19 Å	2023-08-16	X-ray	MXU	SARS-CoV-2	NSP5 (3CLpro)		16.82%	22.29%	13.30%	~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	~{tert}-butyl ~{N}-[1-[(2~{S})-1-[[(2~{S},3~{R})-4-azanyl-3-oxidanyl-4-oxidanylidene-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-3-cyclopropyl-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	XDS	98.60%	10.9	PETRA III, DESY (P11)	REFMAC	2022-07-27	-	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	-	-		No	-	-	62.4	-	-		-
8aiu	2.00 Å	2023-08-16	X-ray	M9X	SARS-CoV-2	NSP5 (3CLpro)		16.05%	20.60%	N/A	tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	XDS	95.70%	14.9	PETRA III, DESY (P11)	REFMAC	2022-07-27	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	77.3	-	-		-
8aiv	2.60 Å	2023-08-16	X-ray	MFL	SARS-CoV-2	NSP5 (3CLpro)		18.15%	25.17%	N/A	tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	tert-butyl N-[1-[(2S)-3-cyclopropyl-1-[[(2S,3R)-4-(methylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-2-oxidanylidene-pyridin-3-yl]carbamate	XDS	98.30%	8.0	PETRA III, DESY (P11)	REFMAC	2022-07-27	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	33.8	-	-		-
8aiz	1.99 Å	2023-08-16	X-ray	MIJ	SARS-CoV-2	NSP5 (3CLpro)		17.84%	22.39%	N/A	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide	(2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[2-oxidanylidene-3-(2-phenylethanoylamino)pyridin-1-yl]propanoyl]amino]-~{N}-methyl-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butanamide	XDS	98.90%	13.1	PETRA III, DESY (P11)	REFMAC	2022-07-27	-	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab	-	-		No	-	-	61.4	-	-		-
8aj0	2.52 Å	2023-08-16	X-ray	NA, MJ0	SARS-CoV-2	NSP5 (3CLpro)		18.56%	26.61%	N/A	(2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide; SODIUM ION	SODIUM ION; (2R,3S)-3-[[(2S)-3-cyclopropyl-2-[2-oxidanylidene-3-(3-phenylpropanoylamino)pyridin-1-yl]propanoyl]amino]-N-methyl-2-oxidanyl-4-[(3S)-2-oxidanylidenepyrrolidin-3-yl]butanamide	XDS	98.60%	6.4	PETRA III, DESY (P11)	REFMAC	2022-07-27	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	22.1	-	-		-
8aja	2.59 Å	2023-08-16	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-07-27	37845250	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
8ajl	2.77 Å	2023-08-16	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-07-28	37845250	-	-	-	-	N/A	-	-	Spike glycoprotein,Fibritin	N/A	-		No	-		N/A	N/A	N/A		-
8hr2	1.94 Å	2023-08-16	X-ray	-	SARS-CoV-2	Spike		19.08%	22.21%	N/A		-		100.00%	24.7	SSRF (BL19U1)	PHENIX	2022-12-14	37419228	-	-	-	-	N/A	-	-	NB1C6; Spike protein S1 - Receptor-binding domain (RBD); NB1B5	-	-		No	-		63.0	-	-		-
8i30	2.00 Å	2023-08-16	X-ray	OF9	SARS-CoV-2	NSP5 (3CLpro)		18.66%	22.62%	4.20%	(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide	(2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide	XDS	97.50%	13.7	SSRF (BL18U1)	PHENIX	2023-01-16	37517202	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		58.9	-	-		-
8iv4	3.59 Å	2023-08-16	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-03-26	37470320	-	-	-	-	N/A	-	-	heavy chain of 3E2; light chain of 8H12; heavy chain of 8H12; Spike protein S1; light chain of 3E2	N/A	-		No	-		N/A	N/A	N/A		-
8iv5	3.77 Å	2023-08-16	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-03-26	37470320	-	-	-	-	N/A	-	-	heavy chain of 8H12; light chain of 8H12; Spike protein S1; heavy chain of 1C4; light chain of 1C4	N/A	-		No	-		N/A	N/A	N/A		-
8iv8	3.92 Å	2023-08-16	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-03-26	37470320	-	-	-	-	N/A	-	-	Spike protein S1; heavy chain of 3E2; light chain of 1C4; light chain of 3E2; heavy chain of 1C4	N/A	-		No	-		N/A	N/A	N/A		-
8iva	3.95 Å	2023-08-16	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-03-26	37470320	-	-	-	-	N/A	-	-	heavy chain of XMA01; Spike protein S1; light chain of 3E2; heavy chain of 3E2; light chain of XMA01	N/A	-		No	-		N/A	N/A	N/A		-
8jop	2.70 Å	2023-08-16	X-ray	UWO	SARS-CoV-2	NSP5 (3CLpro)		19.47%	24.82%	8.80%	methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate	methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate	XDS	99.70%	11.6	SSRF (BL19U1)	PHENIX	2023-06-08	37437852	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		36.9	-	-		-
8sk5	2.01 Å	2023-08-16	X-ray	-	SARS-CoV-2	Spike		18.32%	21.09%	7.10%		-	autoPROC	70.90%	18.3	APS (17-ID)	PHENIX	2023-04-18	37608223	-	-	-	-	N/A	-	-	Spike protein S1 - receptor binding domain; anti-SARS-CoV-2 receptor binding domain VHH	-	-		No	-		73.4	-	-		-
8gf2	2.85 Å	2023-08-23	X-ray	NAG	SARS-CoV-2	Spike		20.90%	25.18%	14.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.40%	4.7	SSRL (BL12-1)	PHENIX	2023-03-07	37582161	-	-	-	-	N/A	-	-	eCR3022.20 Fab light chain; CC12.3 Fab heavy chain; CC12.3 Fab light chain; eCR3022.20 Fab heavy chain; Spike protein S1	-	-		No	-		33.7	-	-		-
8gw4	2.90 Å	2023-08-23	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		22.10%	24.36%	N/A	peptide 8-1	-	CrysalisPro	99.18%	19.7	ROTATING ANODE ()	PHENIX	2022-09-16	-	-	-	-	-	N/A	-	-	Replicase polyprotein 1ab - UNP residues 3264-3565; peptide 8-1	-	-		No	-	-	41.5	-	-		-
8gws	2.90 Å	2023-08-23	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		22.21%	25.25%	N/A	VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG	-	CrysalisPro	99.01%	23.0	ROTATING ANODE ()	PHENIX	2022-09-17	-	-	-	-	-	N/A	-	-	VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG; Replicase polyprotein 1ab - UNP residues 3264-3565	-	-		No	-	-	33.0	-	-		-
8jpq	2.70 Å	2023-08-23	X-ray	ACY, ALA, V3E, ILE	SARS-CoV-2	NSP5 (3CLpro)		19.92%	24.97%	7.12%	ALANINE; methyl (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoate; ISOLEUCINE	ACETIC ACID; ALANINE; methyl (2~{S})-2-azanyl-3-(2-hydroxyphenyl)propanoate; ISOLEUCINE		99.68%	22.61	ROTATING ANODE ()	PHENIX	2023-06-12	-	-	-	-	-	N/A	-	-	ORF1a polyprotein	-	-		No	-	-	35.6	-	-		-
8cyu	1.80 Å	2023-08-30	X-ray	P5X	SARS-CoV-2	NSP5 (3CLpro)		21.21%	24.53%	13.20%	N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide	N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide	xia2	99.90%	8.5	CLSI (08B1-1)	REFMAC	2022-05-24	37555275	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		39.8	-	-		-
8cyz	1.90 Å	2023-08-30	X-ray	P6I	SARS-CoV-2	NSP5 (3CLpro)		24.47%	27.76%	18.50%	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide	xia2	99.80%	7.1	CLSI (08B1-1)	REFMAC	2022-05-24	37555275	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		15.3	-	-		-
8cz4	2.10 Å	2023-08-30	X-ray	P6R	SARS-CoV-2	NSP5 (3CLpro)		21.60%	24.38%	10.00%	N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide	N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide	CrysalisPro	96.10%	3.2	ROTATING ANODE ()	REFMAC	2022-05-24	37555275	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		41.4	-	-		-
8cz7	2.00 Å	2023-08-30	X-ray	P7L	SARS-CoV-2	NSP5 (3CLpro)		24.19%	27.11%	N/A	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide	N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide	CrysalisPro	94.60%	6.62	ROTATING ANODE ()	REFMAC	2022-05-24	37555275	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		18.8	-	-		-
8e7t	2.50 Å	2023-08-30	X-ray	-	MERS-CoV	NSP5 (3CLpro)		18.59%	24.41%	19.09%	SODIUM ION	SODIUM ION	CrysalisPro	99.86%	10.61	ROTATING ANODE ()	PHENIX	2022-08-24	-	-	-	-	-	N/A	-	-	3C-Like Protease	-	-		No	-	-	40.9	-	-		-
8fy6	2.00 Å	2023-08-30	X-ray	OW1	SARS-CoV-2	NSP5 (3CLpro)		18.74%	22.17%	23.20%	Nirmatrelvir (reacted form)	Nirmatrelvir (reacted form)	xia2	93.80%	5.3	APS (23-ID-B)	PHENIX	2023-01-25	37595260	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		63.5	-	-		-
8fy7	1.94 Å	2023-08-30	X-ray	YFK	SARS-CoV-2	NSP5 (3CLpro)		17.06%	21.35%	7.40%	4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide	4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide	xia2	100.00%	12.5	APS (23-ID-D)	PHENIX	2023-01-25	37595260	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		71.1	-	-		-
8gnh	3.74 Å	2023-08-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-08-23	-	-	-	-	-	N/A	-	-	Heavy chain of BD-218; Light chain of BD-218; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8gqt	2.09 Å	2023-08-30	X-ray	QUE	SARS-CoV-2	NSP5 (3CLpro)		20.54%	25.32%	15.50%	3,5,7,3',4'-PENTAHYDROXYFLAVONE	3,5,7,3',4'-PENTAHYDROXYFLAVONE	XDS	98.60%	5.28	SSRF (BL19U1)	PHENIX	2022-08-30	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	32.3	-	-		-
8h7l	2.44 Å	2023-08-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-10-20	-	-	-	-	-	N/A	-	-	Spike glycoprotein; BA7535 fab light chain; BA7535 fab heavt chain	N/A	-		No	-	-	N/A	N/A	N/A		-
8h7z	3.07 Å	2023-08-30	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-10-21	-	-	-	-	-	N/A	-	-	BA7535 fab; BA7535 fab; Spike glycoprotein - RBD	N/A	-		No	-	-	N/A	N/A	N/A		-
8hfx	2.98 Å	2023-08-30	Cryo-EM	NAG	HIV-1/SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose; beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-11-13	37676003	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme; Spike glycoprotein,Envelope glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8hfy	3.21 Å	2023-08-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-11-13	37676003	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme	N/A	-		No	-		N/A	N/A	N/A		-
8hfz	2.71 Å	2023-08-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-11-13	37676003	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8hg0	3.51 Å	2023-08-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-11-13	37676003	ZN	-	-	-	N/A	-	-	Spike protein S1; Angiotensin-converting enzyme	N/A	-		No	-		N/A	N/A	N/A		-
8htv	2.04 Å	2023-08-30	X-ray	UZF	SARS-CoV-2	NSP5 (3CLpro)		18.37%	23.63%	99.50%	1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone	1-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-sulfanyl-ethanone	HKL-3000	99.50%	5.6	SSRF (BL18U1)	PHENIX	2022-12-21	37594952	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-		48.6	-	-		-
8ify	2.55 Å	2023-08-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-02-20	37676003	ZN	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme	N/A	-		No	-		N/A	N/A	N/A		-
8ifz	2.85 Å	2023-08-30	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-02-20	37676003	ZN	-	-	-	N/A	-	-	Angiotensin-converting enzyme; Spike protein S1	N/A	-		No	-		N/A	N/A	N/A		-
8sty	1.90 Å	2023-08-30	X-ray	WGE	SARS-CoV-2	NSP5 (3CLpro)		21.46%	25.04%	7.80%	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.4]nonane-2-carboxylate	PROTEUM PLUS	98.93%	12.9	ROTATING ANODE ()	PHENIX	2023-05-11	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	34.8	-	-		-
8stz	1.85 Å	2023-08-30	X-ray	WGI	SARS-CoV-2	NSP5 (3CLpro)		20.19%	22.90%	N/A	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate	benzyl (3S)-3-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-2-azaspiro[4.5]decane-2-carboxylate	PROTEUM PLUS	99.80%	13.9	ROTATING ANODE ()	PHENIX	2023-05-11	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	55.9	-	-		-
8sxr	2.11 Å	2023-08-30	X-ray	WZK	SARS-CoV-2	NSP5 (3CLpro)		19.92%	25.19%	N/A		N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(5-hydroxyisoquinolin-4-yl)acetamide	XDS	67.50%	11.241	CLSI (08B1-1)	REFMAC	2023-05-23	37555275	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		33.7	-	-		-
7u92	1.80 Å	2023-09-06	X-ray	M0C	SARS-CoV-2	NSP5 (3CLpro)		17.19%	20.74%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	99.50%	9.6	SSRL (BL12-2)	REFMAC	2022-03-09	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	76.2	-	-		-
7y0o	4.40 Å	2023-09-06	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-06-05	-	-	-	-	-	N/A	-	-	Spike protein S1 - RBD; P14 nanobody; light chain of R15; heavy chain of R15	N/A	-		No	-	-	N/A	N/A	N/A		-
7ybk	3.90 Å	2023-09-06	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-29	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7ylb	2.41 Å	2023-09-06	X-ray	-	SARS-CoV-2	Nucleocapsid		26.71%	32.59%	18.60%		-	HKL-3000	99.80%	7.6	SSRF (BL19U1)	REFMAC	2022-07-26	-	-	-	-	-	N/A	-	-	Nucleoprotein - CTD; NC2	-	-		No	-	-	4.6	-	-		-
8gsb	3.99 Å	2023-09-06	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-09-05	-	-	-	-	-	N/A	-	-	Light chain of VacBB-665; Spike protein S1; heavy chain of VacBB-665	N/A	-		No	-	-	N/A	N/A	N/A		-
7xy3	4.60 Å	2023-09-13	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-31	-	-	-	-	-	N/A	-	-	VHH14; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7xy4	3.30 Å	2023-09-13	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-05-31	-	-	-	-	-	N/A	-	-	VHH21; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
7y0n	3.80 Å	2023-09-13	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-06-05	-	-	-	-	-	N/A	-	-	Spike glycoprotein; P14 Nanobody; Light chain of R15-F7; Heavy chain of R15-F7	N/A	-		No	-	-	N/A	N/A	N/A		-
8azc	0.93 Å	2023-09-13	X-ray	MPO	SARS-CoV-2	NSP3: Macro		14.26%	15.31%	N/A	3[N-MORPHOLINO]PROPANE SULFONIC ACID	3[N-MORPHOLINO]PROPANE SULFONIC ACID	XDS	98.57%	15.51	PETRA III, EMBL c/o DESY (P13 (MX1))	PHENIX	2022-09-05	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3	-	-		No	-	-	98.0	-	-		-
8azd	2.00 Å	2023-09-13	X-ray	APR	SARS-CoV-2	NSP3: Macro		21.29%	25.04%	N/A	ADENOSINE-5-DIPHOSPHORIBOSE	ADENOSINE-5-DIPHOSPHORIBOSE	XDS	99.39%	9.2	PETRA III, EMBL c/o DESY (P13 (MX1))	PHENIX	2022-09-05	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3	-	-		No	-	-	34.8	-	-		-
8f0i	3.70 Å	2023-09-13	X-ray	NAG	SARS-CoV-2	Spike		22.58%	27.50%	95.50%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	99.80%	1.9	SSRL (BL12-2)	PHENIX	2022-11-03	37841584	-	-	-	-	N/A	-	-	Spike protein S1 - Receptor binding domain, UNP residues 333-530; COVA309-22 heavy chain; COVA309-22 light chain	-	-		No	-		16.6	-	-		-
8gtv	1.80 Å	2023-09-13	X-ray	KAE	SARS-CoV-2	NSP5 (3CLpro)		22.39%	24.69%	9.10%	4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one	4-[(2~{S})-4-(3,4-dichlorophenyl)-2-(morpholin-4-ylmethyl)piperazin-1-yl]carbonyl-1~{H}-quinolin-2-one	HKL-2000	99.80%	3.8	SSRF (BL19U1)	PHENIX	2022-09-08	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	38.4	-	-		-
8gtw	1.85 Å	2023-09-13	X-ray	K9U	SARS-CoV-2	NSP5 (3CLpro)		19.81%	22.74%	16.70%	(2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide	(2S)-4-(3,4-dichlorophenyl)-1-[(2-oxidanylidene-1H-quinolin-4-yl)carbonyl]-N-[3,3,3-tris(fluoranyl)propyl]piperazine-2-carboxamide	HKL-2000	99.90%	4.2	SSRF (BL19U1)	PHENIX	2022-09-08	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	57.7	-	-		-
8u2x	2.25 Å	2023-09-13	X-ray	TRS	SARS-CoV-2	NSP15		18.70%	21.33%	18.20%	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	XDS	100.00%	14.5	NSLS-II (19-ID)	PHENIX	2023-09-06	-	-	-	-	-	N/A	-	-	Uridylate-specific endoribonuclease nsp15	-	-		No	-	-	71.2	-	-		-
7yr4	4.12 Å	2023-09-20	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-08-08	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme 2	N/A	-		No	-	-	N/A	N/A	N/A		-
8edf	3.40 Å	2023-09-20	X-ray	NAG	SARS-CoV-2	Spike		27.59%	29.94%	28.70%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	96.60%	5.8	SSRL (BL12-1)	PHENIX	2022-09-04	37722054	-	-	-	-	N/A	-	-	Spike protein S1; SKD Fab Light chain; SKD Fab heavy chain	-	-		No	-		7.4	-	-		-
8gvd	2.00 Å	2023-09-20	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		18.60%	24.81%	N/A	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE	-	CrysalisPro	99.70%	12.36	ROTATING ANODE ()	REFMAC	2022-09-14	-	-	-	-	-	N/A	-	-	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE; 3C-like proteinase nsp5	-	-		No	-	-	37.0	-	-		-
8gvy	2.50 Å	2023-09-20	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		21.46%	27.10%	N/A	3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE	-	CrysalisPro	99.51%	9.83	ROTATING ANODE ()	PHENIX	2022-09-16	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5; 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.]PYRAZOLE	-	-		No	-	-	18.9	-	-		-
8gwj	2.90 Å	2023-09-20	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		21.14%	27.06%	N/A	VAL-LYS-LEU-GLN-ALA-VAL-PHE-ARG	-	CrysalisPro	98.20%	33.87	ROTATING ANODE ()	REFMAC	2022-09-17	-	-	-	-	-	N/A	-	-	VAL-LYS-LEU-GLN-ALA-VAL-PHE-ARG; Replicase polyprotein 1ab - UNP residues 3264-3565	-	-		No	-	-	19.2	-	-		-
8dd6	2.30 Å	2023-09-27	X-ray	K36	SARS-CoV-2	NSP5 (3CLpro)		19.73%	25.04%	17.50%	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	(1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid	DIALS	99.96%	5.8	CHESS (F1)	PHENIX	2022-06-17	37699927	-	-	-	-	N/A	-	-	ORF1a polyprotein	-	-		No	-		34.8	-	-		-
8gxg	1.69 Å	2023-09-27	X-ray	06Q	SARS-CoV-2	NSP5 (3CLpro)		16.65%	20.61%	4.60%	N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide	N-[(2S)-3-(4-fluorophenyl)-1-oxidanylidene-1-[[(2S,3S)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide	XDS	98.80%	21.27	SSRF (BL19U1)	PHENIX	2022-09-20	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	77.2	-	-		-
8gxh	1.59 Å	2023-09-27	X-ray	0AX	SARS-CoV-2	NSP5 (3CLpro)		17.02%	19.37%	3.30%	N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide	N-[(2S)-3-cyclohexyl-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]-4-[(phenylmethyl)amino]butan-2-yl]amino]propan-2-yl]-1-benzofuran-2-carboxamide	XDS	99.40%	25.1	SSRF (BL19U1)	PHENIX	2022-09-20	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	85.8	-	-		-
8gxi	1.69 Å	2023-09-27	X-ray	0BO	SARS-CoV-2	NSP5 (3CLpro)		16.57%	20.32%	4.70%	N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide	N-[(2S)-3-cyclohexyl-1-[[(2S,3R)-4-(cyclopropylamino)-3-oxidanyl-4-oxidanylidene-1-[(3S)-2-oxidanylidenepiperidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-propan-2-yl]-1-benzofuran-2-carboxamide	XDS	98.80%	18.05	SSRF (BL19U1)	PHENIX	2022-09-20	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	79.4	-	-		-
8gzb	2.70 Å	2023-09-27	X-ray	KM6	SARS-CoV-2	NSP5 (3CLpro)		20.78%	25.64%	16.60%	2-(4-chlorophenyl)-1,3,4-oxadiazole	2-(4-chlorophenyl)-1,3,4-oxadiazole	XDS	99.90%	8.4	SSRF (BL17B1)	PHENIX	2022-09-26	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	29.6	-	-		-
8jsl	2.95 Å	2023-09-27	Cryo-EM	-	EBOV	Spike		N/A	N/A	N/A	The leader sequence of EBOV	-		-	-	()		2023-06-20	37699521	ZN	-	-	-	N/A	-	-	Polymerase cofactor VP35; The leader sequence of EBOV; RNA-directed RNA polymerase L	N/A	-		No	-		N/A	N/A	N/A		-
8jsn	3.40 Å	2023-09-27	Cryo-EM	-	EBOV	Spike		N/A	N/A	N/A	The leader sequence of EBOV genome	-		-	-	()		2023-06-20	37699521	ZN	-	-	-	N/A	-	-	RNA-directed RNA polymerase L; Polymerase cofactor VP35; The leader sequence of EBOV genome	N/A	-		No	-		N/A	N/A	N/A		-
8p99	3.40 Å	2023-09-27	Cryo-EM	NAG	SARS-CoV-2	Spike		42.27%	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-06-05	37471688	-	-	-	-	N/A	-	-	Spike protein S1,Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8p9y	4.30 Å	2023-09-27	Cryo-EM	NAG, XIO, NA	SARS-CoV-2	Spike		53.38%	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; [(2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoyl]oxysodium; SODIUM ION	2-acetamido-2-deoxy-beta-D-glucopyranose; [(2~{S})-2-[[4-(2-azanylethanoylamino)-7-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-4-[3-[[(2~{S})-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]-1-oxidanylidene-1-sodiooxy-propan-2-yl]amino]-3-oxidanylidene-propyl]-7-oxidanylidene-heptanoyl]amino]-3-[2-(4-nitrophenyl)sulfanyl-1~{H}-indol-3-yl]propanoyl]oxysodium; SODIUM ION		-	-	()		2023-06-06	37471688	-	-	-	-	N/A	-	-	Spike protein S1,Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8sg6	2.49 Å	2023-09-27	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.27%	24.00%	14.40%		-	DIALS	100.00%	8.6	CHESS (F1)	PHENIX	2023-04-11	37699927	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		44.7	-	-		-
7ukl	3.09 Å	2023-10-04	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-04-01	37776849	-	-	-	-	N/A	-	-	12-16 Fab Heavy Chain; Spike glycoprotein; 12-16 Fab Light Chain	N/A	-		No	-		N/A	N/A	N/A		-
7ukm	3.03 Å	2023-10-04	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-04-01	-	-	-	-	-	N/A	-	-	12-19 Fab Heavy Chain; 12-19 Fab Light Chain; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8crf	1.15 Å	2023-10-04	X-ray	NT9	SARS-CoV-2	NSP1		19.17%	24.46%	N/A	~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine	~{N}-methyl-1-(4-thiophen-2-ylphenyl)methanamine	xia2	100.00%	63.7	Diamond, Diamond, ESRF (I23, I23, MASSIF-1)	PHENIX	2023-03-08	37446375	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	-	-		No	-		40.5	-	-		-
8crk	1.10 Å	2023-10-04	X-ray	OG3	SARS-CoV-2	NSP1		16.75%	19.18%	N/A	(1~{R})-1-(4-chlorophenyl)ethanamine	(1~{R})-1-(4-chlorophenyl)ethanamine	xia2	96.90%	34.3	Diamond, Diamond, ESRF (I23, I23, MASSIF-1)	PHENIX	2023-03-08	37446375	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	-	-		No	-		86.8	-	-		-
8crm	1.42 Å	2023-10-04	X-ray	OF6	SARS-CoV-2	NSP1		17.85%	20.28%	N/A	1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine	1-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-~{N}-methyl-methanamine	xia2	99.60%	23.2	Diamond, Diamond, ESRF (I23, I23, MASSIF-1)	PHENIX	2023-03-08	37446375	-	-	-	-	N/A	-	-	Host translation inhibitor nsp1	-	-		No	-		79.8	-	-		-
8fr7	3.39 Å	2023-10-04	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-01-06	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8fxb	3.10 Å	2023-10-04	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-01-24	37648855	-	-	-	-	N/A	-	-	S309 Heavy chain; Processed angiotensin-converting enzyme 2 - ectodomain; Spike protein S1 - Receptor binding domain; S309 Light chain	N/A	-		No	-		N/A	N/A	N/A		-
8fxc	3.20 Å	2023-10-04	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-01-24	37648855	ZN	-	-	-	N/A	-	-	S309 Light chain; Spike protein S1 - Receptor binding domain; Processed angiotensin-converting enzyme 2 - ectodomain; S309 Heavy chain	N/A	-		No	-		N/A	N/A	N/A		-
8i3s	3.90 Å	2023-10-04	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2023-01-17	37704615	-	-	-	-	N/A	-	-	Light chain of Fab 7B3; Heavy chain od Fab 7B3; Spike glycoprotein - RBD region	N/A	-		No	-		N/A	N/A	N/A		-
8i3u	3.60 Å	2023-10-04	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2023-01-18	37704615	-	-	-	-	N/A	-	-	Spike glycoprotein - RBD region; Heavy chain of Fab 14B1; Light chain of Fab 14B1	N/A	-		No	-		N/A	N/A	N/A		-
8s9g	3.00 Å	2023-10-04	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-03-28	37648855	-	-	-	-	N/A	-	-	Spike glycoprotein - RBD; S309 Fab Heavy chain; Processed angiotensin-converting enzyme 2 - ectodomain; S309 Fab Light chain	N/A	-		No	-		N/A	N/A	N/A		-
8sak	3.00 Å	2023-10-04	Cryo-EM	NAG	MERS-CoV	Spike		N/A	N/A	N/A		2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-04-01	37756379	-	-	-	-	N/A	-	-	JC57-11 Fab heavy chain; JC57-11 Fab light chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7uug	2.00 Å	2023-10-11	X-ray	M0C	SARS-CoV-2	NSP5 (3CLpro)		18.24%	24.04%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	99.90%	13.2	SSRL (BL12-2)	REFMAC	2022-04-28	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	44.5	-	-		-
7uup	2.00 Å	2023-10-11	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		19.14%	23.72%	N/A	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	99.20%	7.8	SSRL (BL12-2)	REFMAC	2022-04-28	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	47.6	-	-		-
8bwu	2.36 Å	2023-10-11	X-ray	6NR	SARS-CoV-2	NSP14		23.00%	26.39%	37.83%	(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid	(2~{S})-2-azanyl-4-[[(2~{S},3~{S},4~{R},5~{R})-5-(4-azanyl-5-cyano-pyrrolo[2,3-d]pyrimidin-7-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methylsulfanyl]butanoic acid	XDS	99.46%	7.63	BESSY (14.1)	PHENIX	2022-12-07	-	ZN	-	-	-	N/A	-	-	Transcription factor ETV6,Proofreading exoribonuclease nsp14	-	-		No	-	-	23.9	-	-		-
8eoy	2.28 Å	2023-10-11	X-ray	WOH	SARS-CoV-2	NSP5 (3CLpro)		23.63%	29.92%	18.70%	benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name)	benzyl {(2S)-1-[2-(3-amino-3-oxopropyl)-2-(chloroacetyl)hydrazinyl]-4-methyl-1-oxopentan-2-yl}carbamate (non-preferred name)		97.90%	5.7	ROTATING ANODE ()	PHENIX	2022-10-04	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	7.4	-	-		-
8eqf	3.16 Å	2023-10-11	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-10-07	-	-	-	-	-	N/A	-	-	Fab heavy chain; Fab light chain; Spike protein S1	N/A	-		No	-	-	N/A	N/A	N/A		-
8ezv	1.80 Å	2023-10-11	X-ray	X6O	SARS-CoV-2	NSP5 (3CLpro)		17.88%	22.00%	14.50%		(1R,2S,5S)-N-{(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	99.60%	8.0	SSRL (BL12-2)	REFMAC	2022-11-01	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	65.0	-	-		-
8ezz	1.85 Å	2023-10-11	X-ray	X70	SARS-CoV-2	NSP5 (3CLpro)		19.04%	25.40%	9.00%	(1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-4-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	DIALS	98.80%	7.2	SSRL (BL12-2)	REFMAC	2022-11-01	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	31.6	-	-		-
8f02	2.00 Å	2023-10-11	X-ray	X6T	SARS-CoV-2	NSP5 (3CLpro)		18.97%	25.48%	N/A	(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(2S,3R)-4-(3,3-dimethylazetidin-1-yl)-3-hydroxy-4-oxo-1-[(3S)-2-oxopiperidin-3-yl]butan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	97.90%	5.5	SSRL (BL12-2)	REFMAC	2022-11-01	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	31.1	-	-		-
8f2c	1.95 Å	2023-10-11	X-ray	X9Z	SARS-CoV-2	NSP5 (3CLpro)		19.55%	26.68%	N/A	(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopyrrolidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	99.10%	7.1	SSRL (BL12-2)	REFMAC	2022-11-07	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	21.8	-	-		-
8f2d	1.95 Å	2023-10-11	X-ray	XA8	SARS-CoV-2	NSP5 (3CLpro)		19.62%	25.21%	15.00%	(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-[(2S,3R)-4-(azetidin-1-yl)-3-hydroxy-4-oxo-1-(2-oxopiperidin-1-yl)butan-2-yl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	DIALS	97.60%	5.5	SSRL (BL12-2)	REFMAC	2022-11-07	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	33.2	-	-		-
8h3g	1.46 Å	2023-10-11	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		14.13%	16.22%	5.20%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione		96.00%	18.94	SSRF (BL02U1)	PHENIX	2022-10-08	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		96.7	-	-		-
8h3k	1.80 Å	2023-10-11	X-ray	VIB, 7YY	SARS-CoV-2	NSP5 (3CLpro)		16.81%	20.13%	7.90%	3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM; 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM; 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione		97.40%	15.29	SSRF (BL02U1)	PHENIX	2022-10-08	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		80.8	-	-		-
8h3l	2.30 Å	2023-10-11	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		20.64%	23.07%	13.20%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione		99.40%	7.55	SSRF (BL02U1)	PHENIX	2022-10-08	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		54.4	-	-		-
8h4y	2.25 Å	2023-10-11	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		20.57%	24.76%	8.60%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	99.60%	18.95	Diamond (I04)	PHENIX	2022-10-11	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		37.6	-	-		-
8h51	2.18 Å	2023-10-11	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		18.76%	23.43%	10.80%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	99.80%	18.0	Diamond (I04)	PHENIX	2022-10-11	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		50.7	-	-		-
8h57	1.55 Å	2023-10-11	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		17.72%	20.38%	6.90%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	99.10%	22.61	Diamond (I04)	PHENIX	2022-10-12	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		79.1	-	-		-
8h5f	1.79 Å	2023-10-11	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		18.40%	22.73%	8.00%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	99.90%	21.05	Diamond (I04)	PHENIX	2022-10-13	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		57.8	-	-		-
8h5p	1.67 Å	2023-10-11	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		18.03%	20.75%	5.90%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	99.70%	25.0	Diamond (I04)	PHENIX	2022-10-13	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		76.2	-	-		-
8h6i	1.90 Å	2023-10-11	X-ray	ODN	SARS-CoV-2	NSP5 (3CLpro)		19.78%	22.73%	7.50%	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one	(1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one	autoPROC	98.80%	12.15	SSRF (BL02U1)	PHENIX	2022-10-17	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		57.8	-	-		-
8h6n	1.65 Å	2023-10-11	X-ray	4WI, LQZ	SARS-CoV-2	NSP5 (3CLpro)		19.30%	21.60%	5.80%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide; 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide; 2-(diethylamino)-N-(2,6-dimethylphenyl)ethanamide	autoPROC	99.80%	25.42	Diamond (I04)	PHENIX	2022-10-18	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		68.8	-	-		-
8h7k	1.45 Å	2023-10-11	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		16.81%	18.38%	3.40%		-	autoPROC	99.70%	24.02	SSRF (BL02U1)	PHENIX	2022-10-20	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5; nsp4/5 peptidyl substrate	-	-		No	-		90.7	-	-		-
8h7w	1.60 Å	2023-10-11	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		16.81%	19.65%	10.40%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	99.80%	18.73	Diamond (I04)	PHENIX	2022-10-21	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		84.0	-	-		-
8h82	1.93 Å	2023-10-11	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		17.00%	21.56%	10.60%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	autoPROC	99.80%	17.65	Diamond (I04)	PHENIX	2022-10-21	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		69.3	-	-		-
8hbk	1.80 Å	2023-10-11	X-ray	7YY	SARS-CoV-2	NSP5 (3CLpro)		19.11%	23.22%	4.70%	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione	autoPROC	97.80%	20.48	SSRF (BL02U1)	PHENIX	2022-10-29	37696289	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		52.8	-	-		-
8f4s	2.15 Å	2023-10-18	X-ray	NA, FMT, XDU	SARS-CoV-2	NSP10/NSP16		16.56%	19.09%	17.80%	FORMIC ACID; 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol; SODIUM ION	SODIUM ION; FORMIC ACID; 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol	HKL-3000	99.90%	24.4	APS (21-ID-D)	REFMAC	2022-11-11	37728236	ZN; NA	-	-	-	N/A	-	-	Non-structural protein 10; 2'-O-methyltransferase	-	-		No	-		87.3	-	-		-
8f4y	2.13 Å	2023-10-18	X-ray	XE0, NA, XDU, FMT	SARS-CoV-2	NSP10/NSP16		15.73%	17.98%	10.40%	4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol; FORMIC ACID; 4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol; SODIUM ION	4-[2-(2,4-dichlorophenyl)ethyl]-6-(trifluoromethyl)pyrimidin-2-ol; SODIUM ION; 4-[(E)-2-(2,4-dichlorophenyl)ethenyl]-6-(trifluoromethyl)pyrimidin-2-ol; FORMIC ACID	HKL-3000	99.90%	17.5	APS (21-ID-D)	REFMAC	2022-11-11	37728236	ZN; NA	-	-	-	N/A	-	-	2'-O-methyltransferase; Non-structural protein 10	-	-		No	-		92.2	-	-		-
8h5t	2.00 Å	2023-10-18	X-ray	NAG	SARS-CoV-2	Spike		17.11%	20.47%	11.00%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-3000	100.00%	46.136	SSRF (BL19U1)	PHENIX	2022-10-13	-	-	-	-	-	N/A	-	-	Spike protein S1; Nanobody Nb-015	-	-		No	-	-	78.4	-	-		-
8h5u	2.40 Å	2023-10-18	X-ray	NAG	SARS-CoV-2	Spike		22.52%	24.51%	17.30%	2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	HKL-2000	97.90%	25.692	SSRF (BL19U1)	PHENIX	2022-10-13	-	-	-	-	-	N/A	-	-	Spike protein S1; Nanobody Nb-021	-	-		No	-	-	39.9	-	-		-
8ifp	1.78 Å	2023-10-18	X-ray	OZ6	SARS-CoV-2	NSP5 (3CLpro)		26.51%	29.18%	8.00%	(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	97.50%	15.8	SSRF (BL19U1)	PHENIX	2023-02-19	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	9.4	-	-		-
8ifq	1.96 Å	2023-10-18	X-ray	I1Z	SARS-CoV-2	NSP5 (3CLpro)		17.92%	21.42%	9.60%	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(1Z,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	95.40%	14.5	SSRF (BL19U1)	PHENIX	2023-02-19	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	70.4	-	-		-
8ifr	1.66 Å	2023-10-18	X-ray	P0O	SARS-CoV-2	NSP5 (3CLpro)		18.12%	21.57%	13.10%	(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-3-[(2S)-2-(tert-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-6,6-dimethyl-N-[(2S)-5-oxidanylidene-1-[(3S)-2-oxidanylidenepyrrolidin-3-yl]hex-3-en-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	99.10%	13.2	SSRF (BL02U1)	PHENIX	2023-02-19	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	69.2	-	-		-
8ifs	2.46 Å	2023-10-18	X-ray	OZL	SARS-CoV-2	NSP5 (3CLpro)		26.63%	29.55%	10.10%	(8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide	(8~{S})-7-[(2~{S})-2-(~{tert}-butylcarbamoylamino)-3,3-dimethyl-butanoyl]-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide	XDS	97.80%	9.4	SSRF (BL19U1)	PHENIX	2023-02-19	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	8.4	-	-		-
8ift	1.80 Å	2023-10-18	X-ray	OZB	SARS-CoV-2	NSP5 (3CLpro)		18.07%	20.54%	98.20%	(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide	(8S)-N-[(1S)-1-cyano-2-[(3S)-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2S)-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide	HKL-2000	100.00%	3.3	SSRF (BL19U1)	PHENIX	2023-02-19	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	77.8	-	-		-
8igx	1.90 Å	2023-10-18	X-ray	PQL	SARS-CoV-2	NSP5 (3CLpro)		17.60%	21.25%	99.10%	(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide	(8~{S})-~{N}-[(1~{S})-1-cyano-2-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]ethyl]-7-[(2~{S})-3,3-dimethyl-2-[2,2,2-tris(fluoranyl)ethanoylamino]butanoyl]-1,4-dithia-7-azaspiro[4.4]nonane-8-carboxamide	HKL-2000	99.70%	2.5	SSRF (BL18U1)	PHENIX	2023-02-21	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	72.0	-	-		-
8igy	1.96 Å	2023-10-18	X-ray	4WI	SARS-CoV-2	NSP5 (3CLpro)		18.74%	20.56%	11.50%	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	(1R,2S,5S)-N-{(1E,2S)-1-imino-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide	XDS	92.20%	15.1	SSRF (BL17U1)	PHENIX	2023-02-21	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	77.7	-	-		-
8ppk	2.98 Å	2023-10-18	Cryo-EM	UNX	Bat-Hp-CoV	NSP1		N/A	N/A	N/A	UNKNOWN ATOM OR ION	UNKNOWN ATOM OR ION		-	-	()		2023-07-07	37802027	MG; ZN	-	-	-	N/A	-	-	40S ribosomal protein S10; 40S ribosomal protein S9; 40S ribosomal protein S8; 40S ribosomal protein S7; Eukaryotic translation initiation factor 1; 40S ribosomal protein S11; 40S ribosomal protein S6; 40S ribosomal protein S5; 40S ribosomal protein S4, X isoform; 40S ribosomal protein S3; 40S ribosomal protein S2; 40S ribosomal protein S3a; Nsp1; 60S ribosomal protein L41; Receptor of activated protein C kinase 1; Ubiquitin-40S ribosomal protein S27a; Small ribosomal subunit protein eS30; 40S ribosomal protein S29; 40S ribosomal protein S28; 40S ribosomal protein S27; 40S ribosomal protein SA; 40S ribosomal protein S26; 40S ribosomal protein S25; 40S ribosomal protein S24; 40S ribosomal protein S23; 40S ribosomal protein S15a; 40S ribosomal protein S21; 40S ribosomal protein S20; Small ribosomal subunit protein eS19; Small ribosomal subunit protein uS13; 40S ribosomal protein S17; 18S rRNA; 40S ribosomal protein S16; 40S ribosomal protein S15; 40S ribosomal protein S14; 40S ribosomal protein S13; 40S ribosomal protein S12	N/A	-		No	-		N/A	N/A	N/A		-
8ufl	2.51 Å	2023-10-18	X-ray	-	SARS-CoV	NSP3(SUD-M)		21.35%	26.72%	11.20%		-	HKL-3000	100.00%	15.1	APS (21-ID-F)	REFMAC	2023-10-04	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - SARS-Unique Domain (SUD)	-	-		No	-	-	21.4	-	-		-
8ufm	1.65 Å	2023-10-18	X-ray	FMT	SARS-CoV-2	NSP3(SUD-M)		18.48%	20.79%	10.00%	FORMIC ACID	FORMIC ACID	HKL-3000	99.90%	30.1	APS (21-ID-D)	REFMAC	2023-10-04	-	-	-	-	-	N/A	-	-	Papain-like protease nsp3 - SARS-Unique Domain (SUD)	-	-		No	-	-	75.9	-	-		-
8gw1	3.31 Å	2023-10-25	Cryo-EM	MN	SARS-CoV-2	NSP7/NSP8/NSP9/NSP12/NSP13		N/A	N/A	N/A	MANGANESE (II) ION	MANGANESE (II) ION		-	-	()	PHENIX	2022-09-16	36335936	MN; ZN	-	-	-	N/A	-	-	Non-structural protein 8 - UNP residues 3943-4140; Replicase polyprotein 1ab - UNP residues 4393-5324; Non-structural protein 7 - UNP residues 3860-3942; RNA (25-MER); Template; Non-structural protein 9; Helicase - UNP residues 5325-5925	N/A	-		No	-		N/A	N/A	N/A		-
8h6f	3.30 Å	2023-10-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose; 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	phenix.real_space_refine; PHENIX	2022-10-17	-	-	-	-	-	N/A	-	-	Repebody (A6); Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8hgl	2.90 Å	2023-10-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-15	37452031	-	-	-	-	N/A	-	-	NIV-11 Fab light chain; NIV-11 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8hgm	3.40 Å	2023-10-25	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()	PHENIX	2022-11-15	37452031	-	-	-	-	N/A	-	-	NIV-11 Fab light chain; NIV-11 Fab heavy chain; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8hi9	2.28 Å	2023-10-25	X-ray	LKR	SARS-CoV-2	NSP5 (3CLpro)		24.57%	25.53%	6.70%		3,7-bis(oxidanyl)-2-[3,4,5-tris(oxidanyl)phenyl]chromen-4-one	XDS	99.60%	14.8	SSRF (BL19U1)	PHENIX	2022-11-19	37259339	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-		30.5	-	-		-
8suz	-	2023-10-25	NMR	-	SARS-CoV-2	Envelope		N/A	N/A	N/A		-		-	-	()		2023-05-14	37831764	-	-	-	-	N/A	-	-	Envelope small membrane protein	N/A	-		No	-		N/A	N/A	N/A		-
8t20	3.36 Å	2023-10-25	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-06-05	37842796	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme	N/A	-		No	-		N/A	N/A	N/A		-
8t21	3.60 Å	2023-10-25	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-06-05	37842796	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8t22	3.83 Å	2023-10-25	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-06-05	37842796	-	-	-	-	N/A	-	-	Spike glycoprotein; Angiotensin-converting enzyme	N/A	-		No	-		N/A	N/A	N/A		-
8t23	3.87 Å	2023-10-25	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-06-05	37842796	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme; Spike glycoprotein - RBD	N/A	-		No	-		N/A	N/A	N/A		-
8t25	3.62 Å	2023-10-25	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-06-05	37842796	-	-	-	-	N/A	-	-	Spike glycoprotein - RBD; Angiotensin-converting enzyme	N/A	-		No	-		N/A	N/A	N/A		-
8taz	3.75 Å	2023-10-25	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-06-28	37842796	-	-	-	-	N/A	-	-	Angiotensin-converting enzyme; Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
8bec	1.70 Å	2023-11-01	X-ray	-	SARS-CoV-2	Spike		18.54%	20.68%	7.89%		-	XDS	99.96%	17.68	SOLEIL (PROXIMA 1)	PHENIX	2022-10-21	-	-	-	-	-	N/A	-	-	pT1375 single-chain Fv; Spike protein S1	-	-		No	-	-	76.8	-	-		-
8eyg	3.73 Å	2023-11-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-10-27	-	-	-	-	-	N/A	-	-	Spike glycoprotein; Nanobody	N/A	-		No	-	-	N/A	N/A	N/A		-
8eyh	3.75 Å	2023-11-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-10-27	-	-	-	-	-	N/A	-	-	Nanobody; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8gy6	-	2023-11-01	Cryo-EM	GO3	SARS-CoV-2	NSP7/NSP8/NSP12		N/A	N/A	N/A	Gossypol	Gossypol		-	-	()		2022-09-21	-	-	-	-	-	N/A	-	-	RNA-directed RNA polymerase; Non-structural protein 7; Non-structural protein 8	N/A	-		No	-	-	N/A	N/A	N/A		-
8h91	3.07 Å	2023-11-01	X-ray	-	SARS-CoV-2	Spike		21.17%	28.42%	5.40%		-	XDS	98.90%	7.6	SSRF (BL17U1)	PHENIX	2022-10-24	-	-	-	-	-	N/A	-	-	nanobody; Spike protein S1	-	-		No	-	-	12.2	-	-		-
8pq2	3.85 Å	2023-11-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-07-10	37852477	-	-	-	-	N/A	-	-	Spike protein S2'; P4J15 Fragment Antigen-Binding Light Chain; P4J15 Fragment Antigen-Binding Heavy Chain	N/A	-		No	-		N/A	N/A	N/A		-
8psd	2.90 Å	2023-11-01	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-07-13	37852477	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-		N/A	N/A	N/A		-
7gav	1.77 Å	2023-11-08	X-ray	KFU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.60%	23.63%	24.00%	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide	(3S)-5-chloro-N-(isoquinolin-4-yl)-2,3-dihydro-1-benzofuran-3-carboxamide	MOSFLM	99.90%	7.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	48.6	-	-		-
7gaw	1.81 Å	2023-11-08	X-ray	KG9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.41%	25.20%	32.30%	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	99.90%	5.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	33.3	-	-		-
7gax	1.71 Å	2023-11-08	X-ray	KJI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.82%	21.95%	8.20%	N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide	N-(4-methylpyridin-3-yl)-N~2~-(quinolin-4-yl)glycinamide	XDS	99.60%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	65.6	-	-		-
7gay	1.30 Å	2023-11-08	X-ray	KJO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	15.78%	19.67%	7.20%	N-phenyl-2-(pyridin-3-yl)prop-2-enamide	N-phenyl-2-(pyridin-3-yl)prop-2-enamide	XDS	89.70%	7.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	83.9	-	-		-
7gaz	1.75 Å	2023-11-08	X-ray	KL6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.25%	21.45%	7.40%	1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide	1-{2-[(methanesulfonyl)amino]ethyl}-1,2,3,4-tetrahydroquinoline-7-sulfonamide	XDS	85.60%	10.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.2	-	-		-
7gb0	1.42 Å	2023-11-08	X-ray	KLR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	15.68%	19.94%	5.30%	(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide	(2S)-N-tert-butyl-2-[4-(2-cyanoethyl)anilino]-2-(pyridin-3-yl)acetamide	XDS	98.50%	10.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	82.1	-	-		-
7gb1	1.29 Å	2023-11-08	X-ray	KMF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	15.88%	19.68%	6.60%	N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide	N-[2-(4-acetylpiperazin-1-yl)ethyl]naphthalene-1-carboxamide	XDS	88.50%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	83.9	-	-		-
7gb2	1.50 Å	2023-11-08	X-ray	KMX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.04%	20.33%	5.90%	1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(2-benzyl-1,3-thiazol-5-yl)methyl]piperazin-1-yl}ethan-1-one	XDS	98.00%	11.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	79.4	-	-		-
7gb3	1.38 Å	2023-11-08	X-ray	KNU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.57%	20.64%	7.20%	N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide	N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide	XDS	96.40%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	77.0	-	-		-
7gb4	1.86 Å	2023-11-08	X-ray	KO9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.58%	22.99%	8.50%	N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide	N-(5-cyanopyridin-3-yl)-2-(pyridin-3-yl)acetamide	XDS	98.10%	8.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	55.2	-	-		-
7gb5	1.26 Å	2023-11-08	X-ray	KOI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.31%	19.54%	4.60%	2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide	2-(3-chlorophenyl)-N-(pyridin-3-yl)acetamide	XDS	84.20%	13.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	84.7	-	-		-
7gb6	1.84 Å	2023-11-08	X-ray	KP0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.62%	21.69%	19.80%	N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea	N-(3-chlorophenyl)-N-(2-cyclohexylethyl)-N'-(pyridin-3-yl)urea	XDS	99.80%	3.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.2	-	-		-
7gb7	1.55 Å	2023-11-08	X-ray	KQ3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.88%	20.53%	7.30%	N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea	N-(3-chlorophenyl)-N-[2-(morpholin-4-yl)ethyl]-N'-(pyridin-3-yl)urea	XDS	99.40%	10.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	77.9	-	-		-
7gb8	1.96 Å	2023-11-08	X-ray	KQL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.28%	23.27%	14.00%	N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide	N-(4-methylpyridin-3-yl)-2-[3-(trifluoromethyl)phenyl]acetamide	XDS	98.10%	6.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	52.4	-	-		-
7gb9	1.40 Å	2023-11-08	X-ray	KQX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.54%	21.03%	7.80%	2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(4-methylphenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	97.80%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	73.8	-	-		-
7gba	1.70 Å	2023-11-08	X-ray	KS0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.66%	25.49%	9.40%	1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one	1-{4-[(4-fluorophenyl)methyl]piperazin-1-yl}propan-1-one	XDS	98.00%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.0	-	-		-
7gbb	1.74 Å	2023-11-08	X-ray	KSI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.57%	23.45%	9.00%	1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one	1-[(3S)-4-[(3-chlorophenyl)methyl]-3-(2-methylpropyl)piperazin-1-yl]ethan-1-one	XDS	98.30%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	50.5	-	-		-
7gbc	1.66 Å	2023-11-08	X-ray	KSX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.73%	22.46%	15.90%	2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide	2-(5-cyanopyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.70%	4.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	60.7	-	-		-
7gbd	1.78 Å	2023-11-08	X-ray	KT9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.49%	22.24%	13.20%	N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide	N-(3-methyl-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide	XDS	97.60%	7.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.8	-	-		-
7gbe	1.22 Å	2023-11-08	X-ray	KU6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.99%	22.05%	15.10%	(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	75.80%	2.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	64.6	-	-		-
7gbf	1.77 Å	2023-11-08	X-ray	KUU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.47%	21.29%	9.10%	(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide	(2R)-2-(3-chlorophenyl)-3-methyl-N-(4-methylpyridin-3-yl)butanamide	XDS	91.70%	7.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	71.7	-	-		-
7gbg	1.46 Å	2023-11-08	X-ray	KVF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.65%	21.25%	7.40%	(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide	(2S)-2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)butanamide	XDS	98.60%	8.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	72.0	-	-		-
7gbh	1.58 Å	2023-11-08	X-ray	KVO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.74%	20.93%	7.50%	2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide	2-(3-chlorophenyl)-N-(2,4-dimethylpyridin-3-yl)acetamide	XDS	99.30%	9.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	74.6	-	-		-
7gbi	1.29 Å	2023-11-08	X-ray	KVX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.14%	19.17%	5.60%	(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide	(3S)-5-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-2,3-dihydro-1-benzofuran-3-carboxamide	XDS	86.50%	11.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	86.9	-	-		-
7gbj	1.55 Å	2023-11-08	X-ray	KW9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.45%	22.88%	9.70%	7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	7-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	XDS	98.50%	6.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	56.3	-	-		-
7gbk	1.50 Å	2023-11-08	X-ray	KXF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.67%	21.58%	11.10%	2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-hydroxyphenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.10%	4.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	69.1	-	-		-
7gbl	2.16 Å	2023-11-08	X-ray	KWR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.88%	24.51%	12.30%	N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide	N-(3-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyridin-3-yl)acetamide	XDS	99.70%	6.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.9	-	-		-
7gbm	1.80 Å	2023-11-08	X-ray	KX9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.89%	21.47%	12.00%	(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide	(2R)-2-(3-chlorophenyl)-N-[(4M)-4-(1H-pyrazol-1-yl)pyridin-3-yl]propanamide	XDS	99.70%	6.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.1	-	-		-
7gbn	1.94 Å	2023-11-08	X-ray	KXR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.43%	23.50%	7.00%	N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide	N-(3-fluoro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-2-(pyrimidin-5-yl)acetamide	XDS	80.60%	9.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	49.8	-	-		-
7gbo	1.62 Å	2023-11-08	X-ray	KY0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.51%	21.70%	5.80%	1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide	1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide	XDS	99.70%	11.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	67.9	-	-		-
7gbp	1.70 Å	2023-11-08	X-ray	KYC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.73%	22.34%	6.20%	(2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide	(2S)-2-(3-chlorophenyl)-2-(dimethylamino)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.70%	11.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	61.8	-	-		-
7gbq	1.72 Å	2023-11-08	X-ray	KYU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.22%	22.63%	18.70%	2-(3-chlorophenyl)-2,2-difluoro-N-(4-methylpyridin-3-yl)acetamide	2-(3-chlorophenyl)-2,2-difluoro-N-(4-methylpyridin-3-yl)acetamide	XDS	95.50%	8.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	58.8	-	-		-
7gbr	1.49 Å	2023-11-08	X-ray	KZC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.40%	25.90%	12.90%	N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide	N-(2-anilinoethyl)-2-oxo-1,2-dihydroquinoline-4-carboxamide	XDS	99.00%	3.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	27.3	-	-		-
7gbs	1.54 Å	2023-11-08	X-ray	KZX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.57%	21.08%	10.50%	2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	98.30%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	73.4	-	-		-
7gbt	1.25 Å	2023-11-08	X-ray	L1F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.20%	19.50%	5.10%	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide	N-[2-(2-methoxyphenoxy)ethyl]-N-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide	XDS	83.00%	12.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	84.9	-	-		-
7gbu	1.56 Å	2023-11-08	X-ray	L2I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.68%	23.03%	11.10%	(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide	(2S)-4-(methylamino)-2-phenyl-N-(pyridin-3-yl)butanamide	XDS	99.50%	7.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	54.7	-	-		-
7gbv	1.67 Å	2023-11-08	X-ray	L3I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.32%	22.50%	7.40%	2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide	2-(3-chlorophenyl)-2-methyl-N-(4-methylpyridin-3-yl)propanamide	XDS	99.60%	8.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	60.1	-	-		-
7gbw	1.56 Å	2023-11-08	X-ray	L6R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.15%	24.02%	11.70%	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide	(2R)-2-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)pentanamide	XDS	99.10%	6.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	44.6	-	-		-
7gbx	1.91 Å	2023-11-08	X-ray	L6D	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.58%	22.84%	11.90%	N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide	N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide	XDS	99.70%	7.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	56.6	-	-		-
7gby	1.61 Å	2023-11-08	X-ray	L5I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.29%	22.22%	10.00%	(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide	(2R)-3-cyclopropyl-2-methyl-N-(4-methylpyridin-3-yl)propanamide	XDS	96.90%	8.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.9	-	-		-
7gbz	1.53 Å	2023-11-08	X-ray	L4U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.88%	22.72%	13.40%	(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide	(3S)-3,4-dimethyl-N-(4-methylpyridin-3-yl)pentanamide	XDS	99.40%	4.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	57.9	-	-		-
7gc0	1.58 Å	2023-11-08	X-ray	L4N	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.78%	21.52%	10.90%	(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide	(5R)-N-(4-methylpyridin-3-yl)spiro[2.4]heptane-5-carboxamide	XDS	99.50%	7.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	69.6	-	-		-
7gc1	1.59 Å	2023-11-08	X-ray	L7F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.59%	23.91%	16.60%	2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide	2-[(1S,5R)-bicyclo[3.1.0]hexan-1-yl]-N-(4-methylpyridin-3-yl)acetamide	XDS	99.10%	4.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	45.7	-	-		-
7gc2	1.73 Å	2023-11-08	X-ray	L7Q	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.82%	23.06%	10.40%	3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide	3-methyl-N-(4-methylpyridin-3-yl)-3-phenylbutanamide	XDS	99.20%	8.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	54.5	-	-		-
7gc3	1.56 Å	2023-11-08	X-ray	L7V	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.64%	21.43%	6.70%	1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one	1-[(2S)-2-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-2-(pyridin-3-yl)ethan-1-one	XDS	99.30%	10.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.4	-	-		-
7gc4	1.74 Å	2023-11-08	X-ray	L83	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.85%	21.89%	8.10%	N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide	N-(2-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide	XDS	88.60%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	66.2	-	-		-
7gc5	1.57 Å	2023-11-08	X-ray	L8F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.12%	22.73%	9.30%	N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide	N-(2-{7-[(4-acetylpiperazin-1-yl)methyl]-1H-indol-3-yl}ethyl)acetamide	XDS	99.40%	7.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	57.8	-	-		-
7gc6	1.69 Å	2023-11-08	X-ray	L8O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.65%	21.63%	9.20%	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one	1-[(4R)-4-(3-methylphenyl)-3,4-dihydroisoquinolin-2(1H)-yl]ethan-1-one	XDS	99.10%	9.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.6	-	-		-
7gc7	1.65 Å	2023-11-08	X-ray	L93	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.76%	21.15%	8.70%	6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	6-fluoro-N-[(2R)-2-(2-methoxyphenoxy)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	XDS	98.90%	9.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	72.8	-	-		-
7gc8	1.80 Å	2023-11-08	X-ray	L9F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.45%	22.84%	8.80%	(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione	(3P,5R)-3-(3-chlorophenyl)-5-(pyridin-3-yl)imidazolidine-2,4-dione	XDS	99.20%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	56.6	-	-		-
7gc9	1.77 Å	2023-11-08	X-ray	L9O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.37%	22.95%	17.50%	(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide	(1S)-N-(4-methylpyridin-3-yl)spiro[3.3]heptane-1-carboxamide	XDS	99.80%	3.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	55.5	-	-		-
7gca	1.77 Å	2023-11-08	X-ray	LB0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.85%	21.52%	11.90%	(1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide	(1r,3r)-3-cyclopropyl-N-(4-methylpyridin-3-yl)cyclobutane-1-carboxamide	XDS	99.70%	5.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	69.6	-	-		-
7gcb	1.61 Å	2023-11-08	X-ray	LBC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.90%	22.24%	5.70%	2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-iodophenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.00%	12.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.8	-	-		-
7gcc	1.61 Å	2023-11-08	X-ray	LBO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.53%	22.70%	6.20%	2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-cyclopropylphenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.40%	11.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	58.0	-	-		-
7gcd	1.81 Å	2023-11-08	X-ray	LCU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.75%	21.53%	12.20%	2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide	2-[(1R,3s,5S)-bicyclo[3.1.0]hexan-3-yl]-N-(4-methylpyridin-3-yl)acetamide	XDS	99.70%	5.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	69.5	-	-		-
7gce	1.39 Å	2023-11-08	X-ray	LDX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.44%	20.43%	8.30%	3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide	3-(2-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide	XDS	94.80%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	78.6	-	-		-
7gcf	1.42 Å	2023-11-08	X-ray	LKX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.16%	21.25%	5.90%	2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide	2-(3-chlorophenyl)-N-(5-oxo-1,5-dihydro-4H-1,2,4-triazol-4-yl)acetamide	XDS	92.80%	9.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	72.0	-	-		-
7gcg	1.89 Å	2023-11-08	X-ray	LKI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.90%	24.57%	11.70%	3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide	3-chloro-N-(4-methylpyridin-3-yl)benzene-1-sulfonamide	XDS	99.40%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.5	-	-		-
7gci	1.54 Å	2023-11-08	X-ray	LJO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.87%	21.64%	13.30%	(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide	(3R)-3-cyano-N-(4-methylpyridin-3-yl)oxolane-3-carboxamide	XDS	98.40%	3.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.5	-	-		-
7gcj	1.34 Å	2023-11-08	X-ray	LJ0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.98%	20.41%	7.00%	(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide	(1R,6S,7r)-N-(4-methylpyridin-3-yl)bicyclo[4.1.0]heptane-7-carboxamide	XDS	90.00%	9.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	78.8	-	-		-
7gck	1.40 Å	2023-11-08	X-ray	LF3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.45%	21.68%	6.50%	2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide	2-(6-chloro-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-N-(4-methylpyridin-3-yl)acetamide	XDS	97.90%	10.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.2	-	-		-
7gcl	1.83 Å	2023-11-08	X-ray	LR0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.56%	22.91%	9.80%	(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide	(7R)-N-(4-acetamidopyridin-3-yl)-4-fluorobicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide	XDS	99.80%	7.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	55.8	-	-		-
7gcm	1.57 Å	2023-11-08	X-ray	LQU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.04%	22.70%	4.10%	3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile	3-[(4R)-2-acetyl-1,2,3,4-tetrahydroisoquinolin-4-yl]benzonitrile	XDS	79.10%	11.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	58.0	-	-		-
7gcn	1.62 Å	2023-11-08	X-ray	LQ0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.23%	21.60%	10.20%	2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide	2-(6-chloro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.30%	5.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.8	-	-		-
7gco	1.59 Å	2023-11-08	X-ray	LO0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.64%	21.68%	10.70%	N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide	N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-2,3-dihydropyridine-4-carboxamide	XDS	99.60%	6.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.2	-	-		-
7gcp	1.56 Å	2023-11-08	X-ray	LM0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.46%	21.43%	7.50%	(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide	(3S)-N',2-diacetyl-1,2,3,4-tetrahydroisoquinoline-3-carbohydrazide	XDS	99.10%	9.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.4	-	-		-
7gcq	1.69 Å	2023-11-08	X-ray	LRC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.84%	23.87%	8.20%	2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide	2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)acetamide	XDS	96.80%	8.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.2	-	-		-
7gcr	1.67 Å	2023-11-08	X-ray	LRN	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.03%	22.39%	6.10%	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one	1-[(3R)-3-{(cyclohexylmethyl)[(1r,4R)-4-hydroxycyclohexyl]amino}piperidin-1-yl]ethan-1-one	XDS	99.60%	12.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	61.4	-	-		-
7gcs	1.62 Å	2023-11-08	X-ray	LS0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.65%	22.29%	8.70%	2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide	2-(6-fluoro-1H-indol-1-yl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.30%	7.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.4	-	-		-
7gct	1.86 Å	2023-11-08	X-ray	LSF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.78%	23.52%	6.20%	N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide	N-(4-methylpyridin-3-yl)-2-(3-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)acetamide	XDS	96.30%	10.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	49.7	-	-		-
7gcu	1.54 Å	2023-11-08	X-ray	LT9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.21%	20.80%	9.10%	1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide	1-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)-3-oxocyclobutane-1-carboxamide	XDS	98.40%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	75.6	-	-		-
7gcv	1.96 Å	2023-11-08	X-ray	LUC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.67%	22.89%	7.40%	2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	98.20%	10.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	56.3	-	-		-
7gcw	1.58 Å	2023-11-08	X-ray	LV9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.25%	21.11%	6.40%	N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea	N-(4-benzyloxan-4-yl)-N'-(pyridin-3-yl)urea	XDS	99.60%	11.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	73.1	-	-		-
7gcx	1.75 Å	2023-11-08	X-ray	LVM	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.09%	22.52%	14.10%	N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide	N-(4-methylpyridin-3-yl)-2-(spiro[2.3]hexan-5-yl)acetamide	XDS	96.80%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	60.0	-	-		-
7gcy	1.62 Å	2023-11-08	X-ray	LW6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.30%	21.68%	8.80%	1H-indole-4-carbaldehyde	1H-indole-4-carbaldehyde	XDS	99.00%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.2	-	-		-
7gcz	1.51 Å	2023-11-08	X-ray	LWO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.33%	22.78%	8.20%	2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide	2-(1H-benzotriazol-1-yl)-N-[4-(methylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide	XDS	97.50%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	57.4	-	-		-
7gd0	1.65 Å	2023-11-08	X-ray	M4L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.01%	22.97%	7.10%	(2S)-2-(3-bromophenyl)-2-hydroxy-N-(4-methoxypyridin-3-yl)acetamide	(2S)-2-(3-bromophenyl)-2-hydroxy-N-(4-methoxypyridin-3-yl)acetamide	XDS	99.60%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	55.4	-	-		-
7gd1	1.52 Å	2023-11-08	X-ray	M2X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.15%	20.80%	8.10%	(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide	(2R)-2-amino-2-(5-bromo-2-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	98.00%	8.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	75.6	-	-		-
7gd2	1.65 Å	2023-11-08	X-ray	M26	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.55%	21.17%	6.50%	N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide	N-[(1R)-1-(3-bromophenyl)-2-methoxyethyl]-2-[(3S)-5-fluoro-2-oxo-2,3-dihydro-1H-indol-3-yl]acetamide	XDS	99.60%	10.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	72.7	-	-		-
7gd3	1.75 Å	2023-11-08	X-ray	Y6J	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.93%	22.23%	9.90%	~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide	~{N}-[4-[2-(benzotriazol-1-yl)ethanoyl-(thiophen-3-ylmethyl)amino]phenyl]cyclopropanecarboxamide	XDS	99.60%	7.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.8	-	-		-
7gd4	1.75 Å	2023-11-08	X-ray	R30	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.86%	22.17%	7.80%	N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide	N-{4-[(1H-benzotriazol-1-ylacetyl)(thiophen-3-ylmethyl)amino]phenyl}propanamide	XDS	99.40%	9.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	63.5	-	-		-
7gd5	1.81 Å	2023-11-08	X-ray	M0X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.73%	22.03%	11.40%	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(thiophen-3-yl)methyl]acetamide	XDS	99.50%	8.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	64.8	-	-		-
7gd6	1.55 Å	2023-11-08	X-ray	M0G	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.61%	21.05%	6.90%	(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide	(2S)-2-(3-chlorophenyl)-2-hydroxy-N-(4-methylpyridin-3-yl)butanamide	XDS	99.00%	8.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	73.7	-	-		-
7gd7	1.51 Å	2023-11-08	X-ray	LZX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.87%	21.11%	7.00%	(2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide	(2R)-4-[(methanesulfonyl)amino]-2-phenyl-N-(pyridin-3-yl)butanamide	XDS	98.90%	9.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	73.1	-	-		-
7gd8	1.64 Å	2023-11-08	X-ray	KU6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.33%	21.81%	11.30%	(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.70%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	66.9	-	-		-
7gd9	1.62 Å	2023-11-08	X-ray	LXF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.35%	21.16%	7.10%	N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide	N-{4-[(2-phenylethyl)sulfamoyl]-1,3-benzothiazol-2-yl}acetamide	XDS	99.20%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	72.7	-	-		-
7gda	1.71 Å	2023-11-08	X-ray	MF0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.58%	21.49%	8.80%	(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide	(2R)-2-(5-chloropyridin-3-yl)-N-(4-methylpyridin-3-yl)propanamide	XDS	97.70%	6.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.0	-	-		-
7gdb	1.70 Å	2023-11-08	X-ray	M9U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.32%	21.57%	13.50%	(4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.30%	6.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	69.2	-	-		-
7gdc	1.72 Å	2023-11-08	X-ray	M93	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.80%	21.73%	15.80%	(4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-[4-(hydroxymethyl)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.90%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	67.7	-	-		-
7gdd	1.34 Å	2023-11-08	X-ray	860	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.92%	20.14%	6.60%	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide	XDS	93.70%	10.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	80.7	-	-		-
7gde	1.50 Å	2023-11-08	X-ray	M7X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.14%	22.38%	14.40%	2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide	2-(3-chlorophenyl)-N-(5-methylpyridin-3-yl)acetamide	XDS	95.60%	4.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	61.5	-	-		-
7gdf	1.96 Å	2023-11-08	X-ray	M6U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.36%	23.12%	15.00%	N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide	N-(4-ethylpyridin-3-yl)-2-[6-(trifluoromethyl)pyridin-2-yl]acetamide	XDS	99.70%	6.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	53.8	-	-		-
7gdg	1.81 Å	2023-11-08	X-ray	M6I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.29%	22.62%	15.20%	N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea	N-(3-chlorophenyl)-N'-(pyridin-3-yl)urea	XDS	99.90%	5.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	58.9	-	-		-
7gdh	1.89 Å	2023-11-08	X-ray	M5X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.11%	23.79%	8.10%	(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide	(3S)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-5-sulfonamide	XDS	99.70%	11.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	47.1	-	-		-
7gdi	1.80 Å	2023-11-08	X-ray	M5I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.95%	24.24%	9.80%	N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide	N-(3-chlorophenyl)-2-(4-methylpyridin-3-yl)acetamide	XDS	80.30%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	42.6	-	-		-
7gdj	1.77 Å	2023-11-08	X-ray	M50	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.78%	26.78%	21.00%	2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide	2-(3-chlorophenyl)-N-(5-methylpyridazin-4-yl)acetamide	XDS	93.80%	4.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.1	-	-		-
7gdk	1.74 Å	2023-11-08	X-ray	MJR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.26%	23.22%	13.40%	2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide	2-(3-chlorophenyl)-N-(3-methyl-1H-pyrazol-4-yl)acetamide	XDS	93.70%	6.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	52.8	-	-		-
7gdl	1.86 Å	2023-11-08	X-ray	MKI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.19%	23.12%	21.10%	2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide	2-(3-chlorophenyl)-N-methyl-N-(4-methylpyridin-3-yl)acetamide	XDS	98.70%	5.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	53.8	-	-		-
7gdm	1.52 Å	2023-11-08	X-ray	MQ3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.09%	21.65%	11.00%	(2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide	(2R)-2-cyclohexyl-N-(4-methylpyridin-3-yl)propanamide	XDS	99.20%	7.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.4	-	-		-
7gdn	1.35 Å	2023-11-08	X-ray	MU3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	15.91%	19.67%	6.00%	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	93.50%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	83.9	-	-		-
7gdo	1.76 Å	2023-11-08	X-ray	MVR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.67%	26.73%	8.80%	N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide	N-[(1-methyl-1H-pyrazol-3-yl)methyl]-2-(pyridin-3-yl)-N-[4-(pyridin-2-yl)phenyl]acetamide	XDS	92.80%	7.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.3	-	-		-
7gdp	1.82 Å	2023-11-08	X-ray	MVX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.55%	23.86%	10.30%	(3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide	(3S)-5-chloro-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide	XDS	99.60%	8.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.3	-	-		-
7gdq	1.72 Å	2023-11-08	X-ray	MWN	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.40%	21.21%	11.20%	methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate	methyl (3R)-5-bromo-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate	XDS	99.00%	6.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	72.2	-	-		-
7gdr	1.66 Å	2023-11-08	X-ray	MX9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.31%	23.32%	7.80%	(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate	(3-methylphenyl)methyl (3R)-3-hydroxy-2-oxo-2,3-dihydro-1H-indole-7-carboxylate	XDS	99.00%	9.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	51.8	-	-		-
7gds	1.46 Å	2023-11-08	X-ray	MZF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.49%	20.45%	9.30%	(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one	(3R)-5-bromo-3-hydroxy-1-[(1,2,4-oxadiazol-3-yl)methyl]-1,3-dihydro-2H-indol-2-one	XDS	98.90%	6.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	78.5	-	-		-
7gdt	1.51 Å	2023-11-08	X-ray	N00	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.83%	21.57%	8.10%	(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid	(2R)-2-(6-chloro-1-methyl-9H-carbazol-2-yl)propanoic acid	XDS	96.10%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	69.2	-	-		-
7gdu	1.63 Å	2023-11-08	X-ray	N0F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.49%	21.36%	9.80%	(3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide	(3R)-3-(4-hydroxypiperidin-1-yl)-N-(4-methylpyridin-3-yl)-3-(thiophen-3-yl)propanamide	XDS	99.10%	7.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	71.0	-	-		-
7gdv	1.91 Å	2023-11-08	X-ray	N0O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.44%	24.12%	10.80%	(3S)-5-chloro-N-(4-phenyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide	(3S)-5-chloro-N-(4-phenyl-4H-1,2,4-triazol-3-yl)-2,3-dihydro-1-benzofuran-3-carboxamide	XDS	99.40%	7.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	43.7	-	-		-
7gdw	1.67 Å	2023-11-08	X-ray	N0X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	15.95%	22.13%	8.40%	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-N-(4-cyclopropyl-4H-1,2,4-triazol-3-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	90.00%	8.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	63.8	-	-		-
7gdx	1.84 Å	2023-11-08	X-ray	N1U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.61%	22.89%	12.50%	(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one	(3S)-5-bromo-1-[(3,4-dimethoxyphenyl)methyl]-3-hydroxy-7-methyl-1,3-dihydro-2H-indol-2-one	XDS	99.80%	6.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	56.3	-	-		-
7gdy	1.61 Å	2023-11-08	X-ray	N2X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.59%	25.86%	10.90%	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one	(3S)-5-bromo-1-[(2-ethoxyphenyl)methyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one	XDS	97.50%	5.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	27.8	-	-		-
7gdz	1.84 Å	2023-11-08	X-ray	N3I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.60%	24.57%	9.00%	2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-chloro-5-methoxyphenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	97.70%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.5	-	-		-
7ge0	1.70 Å	2023-11-08	X-ray	N3R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.94%	24.77%	11.70%	5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	5-fluoro-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	XDS	99.50%	7.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	37.5	-	-		-
7ge1	1.94 Å	2023-11-08	X-ray	N43	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.57%	25.17%	10.10%	5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	5-methoxy-N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	XDS	99.00%	9.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	33.8	-	-		-
7ge2	1.67 Å	2023-11-08	X-ray	N4L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.65%	24.04%	11.40%	N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide	N-[2-(2-methoxyphenoxy)ethyl]-5-methyl-2-oxo-1,2-dihydroquinoline-4-carboxamide	XDS	99.20%	7.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	44.5	-	-		-
7ge3	1.27 Å	2023-11-08	X-ray	N5L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.61%	19.23%	6.80%	N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide	N-(5-amino-4-methylpyridin-3-yl)-2-(3-chlorophenyl)acetamide	XDS	93.50%	9.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	86.5	-	-		-
7ge4	1.30 Å	2023-11-08	X-ray	N6X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.76%	20.02%	7.60%	N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)acetamide	N-(5-amino-4-methylpyridin-3-yl)-2-(3-cyanophenyl)acetamide	XDS	93.50%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	81.5	-	-		-
7ge5	1.64 Å	2023-11-08	X-ray	N7L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.18%	22.52%	13.50%	(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide	(1R,2R)-2-(fluoromethyl)-N-(4-methylpyridin-3-yl)cyclopropane-1-carboxamide	XDS	99.30%	5.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	60.0	-	-		-
7ge6	1.62 Å	2023-11-08	X-ray	N8X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.95%	21.80%	9.40%	2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide	2-(3,5-dimethylphenyl)-N-(4-methyl-4H-1,2,4-triazol-3-yl)acetamide	XDS	99.80%	9.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	66.9	-	-		-
7ge7	1.51 Å	2023-11-08	X-ray	N9I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.61%	20.69%	9.40%	2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide	2-(4-methylpyridin-3-yl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide	XDS	99.70%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	76.7	-	-		-
7ge8	1.80 Å	2023-11-08	X-ray	NB0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.67%	22.47%	7.70%	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one	4-[4-(2-fluorophenyl)piperazine-1-carbonyl]quinolin-2(1H)-one	XDS	99.60%	6.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	60.6	-	-		-
7ge9	1.49 Å	2023-11-08	X-ray	NB6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.80%	20.57%	9.60%	2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-bromophenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.70%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	77.6	-	-		-
7gea	1.83 Å	2023-11-08	X-ray	N6F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.68%	22.86%	9.70%	(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide	(2S)-N-(4-acetamidopyridin-3-yl)-2-(3-chlorophenyl)propanamide	XDS	99.90%	8.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	56.5	-	-		-
7geb	1.39 Å	2023-11-08	X-ray	NDI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.58%	21.90%	7.70%	2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide	2-(4-acetylpiperazin-1-yl)-N-(4-methylpyridin-3-yl)acetamide	XDS	98.60%	6.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	65.9	-	-		-
7gec	1.25 Å	2023-11-08	X-ray	NEL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.88%	19.70%	6.90%	2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide	2-(3-chlorophenyl)-N-(1H-indazol-4-yl)acetamide	XDS	92.80%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	83.7	-	-		-
7ged	1.48 Å	2023-11-08	X-ray	NGX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.77%	22.28%	10.40%	(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol	(2S)-1-(3-chlorophenyl)-3-(1H-1,2,4-triazol-1-yl)propan-2-ol	XDS	99.20%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.5	-	-		-
7gee	1.29 Å	2023-11-08	X-ray	NIJ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.03%	19.77%	6.20%	3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide	3-(3-fluorophenyl)-N-(4-methylpyridin-3-yl)propanamide	XDS	86.00%	11.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	83.3	-	-		-
7gef	1.18 Å	2023-11-08	X-ray	NJE	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.76%	18.65%	6.60%	N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide	N-(4-methylpyridin-3-yl)-2-(piperidin-1-yl)acetamide	XDS	81.80%	11.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	89.5	-	-		-
7geg	1.73 Å	2023-11-08	X-ray	NJU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.83%	22.23%	10.30%	2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide	2-(3-chlorophenyl)-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)acetamide	XDS	99.70%	7.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.8	-	-		-
7geh	1.23 Å	2023-11-08	X-ray	NKU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.79%	19.66%	6.90%	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide	XDS	89.20%	9.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	84.0	-	-		-
7gei	1.69 Å	2023-11-08	X-ray	NM0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.43%	23.15%	8.60%	2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide	2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide	XDS	99.90%	12.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	53.6	-	-		-
7gej	1.74 Å	2023-11-08	X-ray	NO0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.35%	25.12%	14.60%	2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide	2-(3-ethynylphenyl)-N-(isoquinolin-4-yl)acetamide	XDS	99.80%	10.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.0	-	-		-
7gek	1.41 Å	2023-11-08	X-ray	NOI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.32%	21.42%	7.90%	2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide	2-(3-chlorophenyl)-N-(1-methyl-1H-imidazol-5-yl)acetamide	XDS	97.70%	13.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.4	-	-		-
7gel	1.49 Å	2023-11-08	X-ray	NQ3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.71%	21.71%	10.50%	(1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one	(1M,3P)-1-(3-chlorophenyl)-3-(4-methylpyridin-3-yl)-1,3-dihydro-2H-imidazol-2-one	XDS	99.70%	12.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	67.8	-	-		-
7gem	1.32 Å	2023-11-08	X-ray	NQO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.76%	20.64%	8.00%	2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide	2-(3-chlorophenyl)-N-(4-methylpyridazin-3-yl)acetamide	XDS	98.00%	12.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	77.0	-	-		-
7gen	1.53 Å	2023-11-08	X-ray	NRC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.26%	21.01%	10.30%	methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate	methyl (2R)-2-(3-chlorophenyl)-3-[(4-methylpyridin-3-yl)amino]-3-oxopropanoate	XDS	99.90%	12.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	73.9	-	-		-
7geo	1.50 Å	2023-11-08	X-ray	NRX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.81%	22.43%	9.50%	2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide	2-(3-chlorophenyl)-N-[(4S)-imidazo[1,5-a]pyridin-1-yl]acetamide	XDS	99.50%	8.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	60.9	-	-		-
7geq	2.06 Å	2023-11-08	X-ray	NSR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.20%	25.74%	22.50%	(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.50%	15.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.8	-	-		-
7ger	1.71 Å	2023-11-08	X-ray	NU0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.54%	28.03%	20.20%	2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide	2-(3-chlorophenyl)-N-(2,6-naphthyridin-4-yl)acetamide	XDS	99.10%	5.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.9	-	-		-
7ges	1.47 Å	2023-11-08	X-ray	NUR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	16.95%	21.33%	11.40%	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)-N-methylacetamide	XDS	99.40%	10.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	71.2	-	-		-
7get	1.92 Å	2023-11-08	X-ray	NV9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.76%	25.40%	9.00%	2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide	2-(3-chlorophenyl)-N-(4-phenylpyridin-3-yl)acetamide	XDS	99.60%	13.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.6	-	-		-
7geu	1.40 Å	2023-11-08	X-ray	NVO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.52%	21.06%	8.70%	2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide	2-(3-chlorophenyl)-N-(phthalazin-1-yl)acetamide	XDS	94.50%	10.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	73.6	-	-		-
7gev	1.54 Å	2023-11-08	X-ray	NW0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.90%	21.52%	9.10%	3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide	3-(3-chlorophenyl)-N-(4-methylpyridin-3-yl)propanamide	XDS	99.40%	12.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	69.6	-	-		-
7gew	1.46 Å	2023-11-08	X-ray	NWI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.06%	21.88%	10.10%	2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide	2-(3-chlorophenyl)-N-(1,6-naphthyridin-8-yl)acetamide	XDS	98.90%	9.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	66.3	-	-		-
7gex	1.99 Å	2023-11-08	X-ray	NX9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.55%	21.64%	14.30%	2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide	2-(3-chlorophenyl)-N-(1H-pyrazol-4-yl)acetamide	XDS	99.60%	18.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.5	-	-		-
7gey	1.34 Å	2023-11-08	X-ray	NYR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.28%	21.62%	7.80%	N-(3-chlorophenyl)-2-(3-methyl-1H-pyrazol-4-yl)acetamide	N-(3-chlorophenyl)-2-(3-methyl-1H-pyrazol-4-yl)acetamide	XDS	96.50%	10.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	68.7	-	-		-
7gez	1.34 Å	2023-11-08	X-ray	NZK	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.44%	20.41%	6.60%	2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide	2-(4-acetylpiperazin-1-yl)-N-(isoquinolin-4-yl)acetamide	XDS	97.10%	12.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	78.8	-	-		-
7gf0	1.58 Å	2023-11-08	X-ray	O0C	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.28%	24.21%	7.90%	2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide	2-(3-chlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide	XDS	98.40%	12.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	42.8	-	-		-
7gf1	1.88 Å	2023-11-08	X-ray	O0R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.39%	25.48%	14.00%	2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide	2-(3-chlorophenyl)-N-(4-cyclopropylpyridin-3-yl)acetamide	XDS	99.80%	8.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.1	-	-		-
7gf2	1.38 Å	2023-11-08	X-ray	O0X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.69%	21.94%	9.00%	2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide	2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide	XDS	98.70%	9.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	65.6	-	-		-
7gf3	1.63 Å	2023-11-08	X-ray	O1I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.02%	25.97%	10.80%	(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide	(2S)-2-(3-chlorophenyl)-3-hydroxy-N-(4-methylpyridin-3-yl)propanamide	XDS	99.10%	11.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.9	-	-		-
7gf4	1.56 Å	2023-11-08	X-ray	O1X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.92%	23.00%	9.30%	(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide	(2S)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide	XDS	99.40%	12.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	54.9	-	-		-
7gf5	1.37 Å	2023-11-08	X-ray	O2R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.05%	21.27%	6.80%	2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(2-butoxy-5-chlorophenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	98.30%	11.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	71.8	-	-		-
7gf6	1.45 Å	2023-11-08	X-ray	O3I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.29%	21.92%	7.00%	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide	2-[(1M)-5-chloro-2',3'-difluoro-4'-methyl[1,1'-biphenyl]-3-yl]-N-(4-methylpyridin-3-yl)acetamide	XDS	99.50%	13.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	65.8	-	-		-
7gf7	1.94 Å	2023-11-08	X-ray	O3U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.93%	24.10%	24.50%	N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide	N-[(1R)-1,5-dicyano-4-(methylsulfanyl)-3-azaspiro[5.5]undeca-2,4-dien-2-yl]acetamide	XDS	99.70%	5.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	43.8	-	-		-
7gf8	1.43 Å	2023-11-08	X-ray	O4L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.69%	20.96%	10.60%	N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide	N-(3-acetyl-2,5-dimethyl-1H-pyrrol-1-yl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide	XDS	97.20%	10.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	74.4	-	-		-
7gf9	1.97 Å	2023-11-08	X-ray	O5C	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.78%	24.04%	13.80%	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one	1-[(4S)-3-(4-fluorobenzoyl)-2-methylindolizin-1-yl]ethan-1-one	XDS	99.80%	4.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	44.5	-	-		-
7gfa	1.97 Å	2023-11-08	X-ray	Z26	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.75%	26.28%	28.30%	2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide	2-(5-chloro-2-methoxyphenyl)-N-(isoquinolin-4-yl)acetamide	XDS	99.90%	2.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	24.7	-	-		-
7gfb	1.61 Å	2023-11-08	X-ray	NSR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.00%	22.44%	11.90%	(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.70%	5.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	60.8	-	-		-
7gfc	2.23 Å	2023-11-08	X-ray	O87	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.51%	25.32%	22.50%	4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one	4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}quinolin-2(1H)-one	XDS	99.90%	5.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	32.3	-	-		-
7gfd	1.85 Å	2023-11-08	X-ray	O8L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.37%	23.56%	7.70%	(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide	(2S)-2-(3-chloro-5-{[(2R)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)propanamide	XDS	99.60%	8.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	49.4	-	-		-
7gfe	1.65 Å	2023-11-08	X-ray	O9O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.62%	21.78%	12.30%	N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide	N-{3-chloro-5-[(6-methoxypyridin-2-yl)oxy]phenyl}-2-(isoquinolin-4-yl)acetamide	XDS	99.80%	12.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	67.3	-	-		-
7gff	1.75 Å	2023-11-08	X-ray	O9X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.52%	22.27%	11.30%	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide	(2R)-2-(difluoromethoxy)-N-(4-methylpyridin-3-yl)propanamide	XDS	99.40%	13.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.5	-	-		-
7gfg	1.80 Å	2023-11-08	X-ray	OAO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.31%	25.01%	9.10%	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide	2-{3-chloro-5-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl}-N-(4-methylpyridin-3-yl)acetamide	XDS	99.30%	6.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	35.0	-	-		-
7gfh	1.46 Å	2023-11-08	X-ray	OBO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.97%	22.26%	8.90%	2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide	2-(3-chlorophenyl)-N-(1H-imidazo[4,5-c]pyridin-7-yl)acetamide	XDS	96.00%	12.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.6	-	-		-
7gfi	1.60 Å	2023-11-08	X-ray	OCI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.48%	23.26%	7.30%	2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-chloro-5-sulfamamidophenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.20%	13.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	52.5	-	-		-
7gfj	1.59 Å	2023-11-08	X-ray	OD7	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.99%	22.18%	7.70%	2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide	2-(6-methoxy-1H-benzotriazol-1-yl)-N-[4-(piperidin-4-yl)phenyl]-N-[(pyridin-2-yl)methyl]acetamide	XDS	99.80%	12.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	63.4	-	-		-
7gfk	1.50 Å	2023-11-08	X-ray	ODX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.13%	21.74%	7.20%	2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-chloro-5-{[(1S,2S)-2-hydroxycyclopentyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.60%	12.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	67.6	-	-		-
7gfl	1.77 Å	2023-11-08	X-ray	OE6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.71%	24.45%	8.90%	N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide	N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide	XDS	99.80%	12.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	40.6	-	-		-
7gfm	1.70 Å	2023-11-08	X-ray	OEO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.33%	25.11%	23.40%	N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide	N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)-N-[(thiophen-3-yl)methyl]acetamide	XDS	99.40%	4.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.1	-	-		-
7gfn	1.64 Å	2023-11-08	X-ray	OFX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.24%	23.58%	12.60%	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1H-pyrazol-5-yl)methyl]acetamide	XDS	99.80%	11.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	49.2	-	-		-
7gfo	1.50 Å	2023-11-08	X-ray	OGF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.88%	22.30%	12.70%	2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide	2-(1H-benzotriazol-1-yl)-N-[4-(methylcarbamamido)phenyl]-N-[(thiophen-3-yl)methyl]acetamide	XDS	99.20%	5.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.1	-	-		-
7gfp	1.77 Å	2023-11-08	X-ray	OHC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.19%	24.35%	13.20%	2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide	2-[3-(acetamidomethyl)-5-chlorophenyl]-N-(4-methylpyridin-3-yl)acetamide	XDS	99.80%	6.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	41.6	-	-		-
7gfq	1.55 Å	2023-11-08	X-ray	OI4	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.58%	22.79%	13.20%	(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	98.50%	8.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	57.3	-	-		-
7gfr	1.46 Å	2023-11-08	X-ray	OIE	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.86%	22.11%	13.20%	2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide	2-(4-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide	XDS	99.70%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	64.0	-	-		-
7gfs	1.68 Å	2023-11-08	X-ray	OIK	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.09%	23.38%	6.30%	(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone	(isoquinolin-4-yl)(4-phenylpiperazin-1-yl)methanone	XDS	99.70%	15.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	51.3	-	-		-
7gft	1.64 Å	2023-11-08	X-ray	OIX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.31%	23.58%	14.20%	N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide	N-[2-(2-methoxyphenoxy)ethyl]isoquinoline-4-carboxamide	XDS	99.70%	6.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	49.2	-	-		-
7gfu	1.60 Å	2023-11-08	X-ray	OJ9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.14%	22.81%	13.00%	2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide	2-(5-chloro-1-benzofuran-7-yl)-N-(isoquinolin-4-yl)acetamide	XDS	99.80%	8.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	56.9	-	-		-
7gfv	1.73 Å	2023-11-08	X-ray	OJO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.41%	23.54%	8.00%	1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one	1-{4-[(3-chloro-5-hydroxyphenyl)methyl]piperazin-1-yl}ethan-1-one	XDS	99.40%	11.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	49.6	-	-		-
7gfw	1.57 Å	2023-11-08	X-ray	OK9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.84%	21.42%	9.10%	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide	N-{(1Z)-1-[5-(morpholin-4-yl)thiophen-2-yl]-3-oxoprop-1-en-2-yl}thiophene-2-carboxamide	XDS	99.80%	13.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.4	-	-		-
7gfx	1.55 Å	2023-11-08	X-ray	OKW	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.36%	25.78%	11.00%	2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide	2-(3-chlorophenyl)-N-(6,7-dihydro-5H-cyclopenta[c]pyridin-4-yl)acetamide	XDS	99.50%	6.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.5	-	-		-
7gfy	1.55 Å	2023-11-08	X-ray	OLX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.39%	21.45%	9.40%	[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid	[(3R)-5-ethyl-3-hydroxy-2-oxo-2,3-dihydro-1H-indol-1-yl]acetic acid	XDS	99.50%	11.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.2	-	-		-
7gfz	1.43 Å	2023-11-08	X-ray	ONU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.07%	21.49%	7.90%	4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one	4-[3-(2-methoxyanilino)azetidine-1-carbonyl]quinolin-2(1H)-one	XDS	95.70%	11.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.0	-	-		-
7gg0	1.51 Å	2023-11-08	X-ray	OGV	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.97%	22.82%	8.40%	2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide	2-(3-chlorophenyl)-N-[(4S)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]acetamide	XDS	98.00%	10.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	56.8	-	-		-
7gg1	1.48 Å	2023-11-08	X-ray	OGO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.64%	20.95%	7.00%	4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one	4-[3-(2-methoxyphenoxy)azetidine-1-carbonyl]quinolin-2(1H)-one	XDS	98.50%	15.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	74.5	-	-		-
7gg2	1.72 Å	2023-11-08	X-ray	OO6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.01%	27.49%	21.00%	(3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(3S,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.90%	4.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	16.8	-	-		-
7gg3	1.42 Å	2023-11-08	X-ray	OOL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.80%	21.49%	9.90%	(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine	(E)-1-(4,6-dimethoxypyrimidin-2-yl)methanimine	XDS	98.90%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.0	-	-		-
7gg4	1.57 Å	2023-11-08	X-ray	OPU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.12%	25.92%	11.20%	(4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-[(4S)-7-methyl[1,2,4]triazolo[4,3-a]pyridin-8-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	97.60%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	27.2	-	-		-
7gg5	1.51 Å	2023-11-08	X-ray	OQF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.59%	21.36%	7.80%	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide	2-(1H-benzotriazol-1-yl)-N-[4-(dimethylamino)phenyl]-N-[(1,3-thiazol-4-yl)methyl]acetamide	XDS	98.00%	14.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	71.0	-	-		-
7gg6	1.60 Å	2023-11-08	X-ray	OQL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.35%	24.51%	7.70%	(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	99.50%	13.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.9	-	-		-
7gg7	1.51 Å	2023-11-08	X-ray	OQX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.45%	20.74%	7.80%	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-(4-methoxyphenyl)acetamide	XDS	99.70%	14.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	76.2	-	-		-
7gg8	1.58 Å	2023-11-08	X-ray	ORR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.81%	21.82%	8.20%	1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one	1-(5-amino-3,4-dihydro-1,7-naphthyridin-1(2H)-yl)-2-(3-chlorophenyl)ethan-1-one	XDS	99.60%	14.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	66.8	-	-		-
7gg9	1.54 Å	2023-11-08	X-ray	SQ2	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.18%	22.97%	12.80%	2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one	2-(1H-1,2,3-benzotriazol-1-yl)-1-(4-methylpiperidin-1-yl)ethan-1-one	XDS	99.40%	7.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	55.4	-	-		-
7gga	1.49 Å	2023-11-08	X-ray	OSI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.29%	20.40%	6.30%	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.70%	14.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	78.8	-	-		-
7ggb	1.38 Å	2023-11-08	X-ray	OT6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.33%	19.88%	6.50%	2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide	2-{3-chloro-5-[(2-cyano-2-methylpropyl)amino]phenyl}-N-(4-methylpyridin-3-yl)acetamide	XDS	99.10%	14.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	82.6	-	-		-
7ggc	1.94 Å	2023-11-08	X-ray	OTV	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.75%	28.56%	14.40%	2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-chloro-5-{[(1S,2R)-2-(trifluoromethyl)cyclopropyl]amino}phenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	95.60%	5.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	11.7	-	-		-
7ggd	1.48 Å	2023-11-08	X-ray	OUF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.44%	20.42%	8.30%	N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea	N-[(furan-2-yl)methyl]-N'-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)-N-{3-[(propan-2-yl)oxy]propyl}urea	XDS	99.00%	10.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	78.7	-	-		-
7gge	1.63 Å	2023-11-08	X-ray	OV4	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.73%	24.83%	18.90%	2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide	2-(1H-benzotriazol-1-yl)-N-benzyl-N-[4-(dimethylamino)phenyl]acetamide	XDS	98.00%	4.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	36.8	-	-		-
7ggf	1.83 Å	2023-11-08	X-ray	OVF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.91%	28.17%	17.80%	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide	2-(1H-benzotriazol-1-yl)-N-[(3-chlorophenyl)methyl]-N-[4-(dimethylamino)phenyl]acetamide	XDS	99.80%	3.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.4	-	-		-
7ggg	1.74 Å	2023-11-08	X-ray	OVX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.86%	22.81%	6.80%	1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one	1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one	XDS	99.70%	16.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	56.9	-	-		-
7ggh	1.68 Å	2023-11-08	X-ray	OWC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.15%	24.64%	9.70%	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	XDS	97.70%	10.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	38.7	-	-		-
7ggi	1.65 Å	2023-11-08	X-ray	OWX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.27%	20.97%	7.00%	2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide	2-(3-chlorophenyl)-N-(1,2,3,4-tetrahydro-1,7-naphthyridin-5-yl)acetamide	XDS	99.10%	15.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	74.4	-	-		-
7ggj	1.80 Å	2023-11-08	X-ray	OYF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.28%	23.39%	14.70%	(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.70%	4.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	51.3	-	-		-
7ggk	1.73 Å	2023-11-08	X-ray	OYX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.00%	22.53%	11.50%	N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide	N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide	XDS	99.80%	5.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	59.9	-	-		-
7ggl	2.22 Å	2023-11-08	X-ray	OZC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.20%	27.23%	10.00%	(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	XDS	99.60%	11.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	18.2	-	-		-
7ggm	1.84 Å	2023-11-08	X-ray	OZX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.21%	23.51%	9.00%	2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide	2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide	XDS	99.60%	12.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	49.8	-	-		-
7ggn	1.93 Å	2023-11-08	X-ray	P0X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.49%	23.89%	8.00%	4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one	4-[4-(3-chlorophenyl)-3-oxopiperazine-1-carbonyl]quinolin-2(1H)-one	XDS	99.70%	14.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.1	-	-		-
7ggo	1.69 Å	2023-11-08	X-ray	P3L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.58%	22.94%	6.90%	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.10%	14.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	55.6	-	-		-
7ggp	1.90 Å	2023-11-08	X-ray	P4R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.62%	21.79%	10.00%	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione	XDS	99.80%	9.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	67.2	-	-		-
7ggq	1.81 Å	2023-11-08	X-ray	OQL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.97%	22.70%	8.20%	(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	99.70%	9.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	58.0	-	-		-
7ggr	1.87 Å	2023-11-08	X-ray	P6O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.47%	22.75%	10.50%	(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	99.20%	7.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	57.6	-	-		-
7ggs	1.49 Å	2023-11-08	X-ray	P7R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.99%	22.02%	10.10%	(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.60%	6.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	64.8	-	-		-
7ggt	1.82 Å	2023-11-08	X-ray	P9O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.55%	22.53%	11.60%	(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.70%	8.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	59.9	-	-		-
7ggu	2.29 Å	2023-11-08	X-ray	PJ6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.65%	23.72%	14.10%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.60%	6.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	47.6	-	-		-
7ggv	1.97 Å	2023-11-08	X-ray	PJX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.04%	23.50%	19.30%	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	99.80%	5.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	49.8	-	-		-
7ggw	1.92 Å	2023-11-08	X-ray	PKW	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.21%	24.01%	25.70%	(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(1-methyl-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.90%	3.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	44.7	-	-		-
7ggx	1.85 Å	2023-11-08	X-ray	PQ6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.82%	22.77%	12.50%	(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.90%	6.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	57.5	-	-		-
7ggy	2.17 Å	2023-11-08	X-ray	PUU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.30%	27.81%	20.90%	(4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	99.70%	4.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	15.0	-	-		-
7ggz	1.46 Å	2023-11-08	X-ray	PVR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.67%	20.91%	9.50%	2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide	2-(4-acetylpiperazin-1-yl)-N-(4-cyclopropylpyridin-3-yl)acetamide	XDS	97.50%	7.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	74.7	-	-		-
7gh0	1.69 Å	2023-11-08	X-ray	PWR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.69%	21.95%	10.70%	(4~{R})-6-chloranyl-~{N}-(2-oxidanylisoquinolin-4-yl)-3,4-dihydro-2~{H}-chromene-4-carboxamide	(4~{R})-6-chloranyl-~{N}-(2-oxidanylisoquinolin-4-yl)-3,4-dihydro-2~{H}-chromene-4-carboxamide	XDS	99.70%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	65.6	-	-		-
7gh1	1.52 Å	2023-11-08	X-ray	PZ6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.34%	21.38%	8.40%	(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	99.80%	7.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	70.9	-	-		-
7gh2	1.62 Å	2023-11-08	X-ray	Q0I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.60%	21.81%	11.80%	(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	98.80%	6.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	66.9	-	-		-
7gh3	1.90 Å	2023-11-08	X-ray	Q1C	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.03%	23.68%	22.30%	2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide	2-(4-methylpiperidin-1-yl)-N-(4-methylpyridin-3-yl)acetamide	XDS	99.60%	4.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	48.2	-	-		-
7gh4	2.27 Å	2023-11-08	X-ray	Q1U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.29%	24.83%	15.30%	2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide	2-(3-chlorophenyl)-N-(6-methoxyisoquinolin-4-yl)acetamide	XDS	99.30%	6.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	36.8	-	-		-
7gh5	1.66 Å	2023-11-08	X-ray	Q2G	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.96%	21.27%	11.80%	N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea	N-(3-chlorophenyl)-N'-(4-methylpyridin-3-yl)urea	XDS	99.30%	5.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	71.8	-	-		-
7gh6	1.57 Å	2023-11-08	X-ray	Q2U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.13%	21.56%	8.90%	N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	N-[2-(2-methoxyphenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	XDS	96.20%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	69.3	-	-		-
7gh7	1.67 Å	2023-11-08	X-ray	Q36	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.01%	20.43%	12.60%	(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide	(2R)-2-(3-cyanophenyl)-N-(4-methylpyridin-3-yl)propanamide	XDS	99.70%	6.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	78.6	-	-		-
7gh8	1.52 Å	2023-11-08	X-ray	Q3U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	15.85%	20.75%	8.40%	N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea	N-(5-aminopyridin-3-yl)-N'-(3-chlorophenyl)urea	XDS	97.80%	6.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	76.2	-	-		-
7gh9	1.57 Å	2023-11-08	X-ray	Q45	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.93%	21.06%	9.90%	2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide	2-[(2S)-2-{2-[(methanesulfonyl)amino]ethyl}piperidin-1-yl]-N-(pyridin-3-yl)acetamide	XDS	99.20%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	73.6	-	-		-
7gha	1.72 Å	2023-11-08	X-ray	Q4F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.21%	22.52%	8.90%	1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one	1-{(1S,4S)-5-[(3-chlorophenyl)methyl]-2,5-diazabicyclo[2.2.1]heptan-2-yl}ethan-1-one	XDS	99.50%	9.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	60.0	-	-		-
7ghb	1.56 Å	2023-11-08	X-ray	Q4R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.12%	22.47%	9.20%	N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide	N~2~-methyl-N-(4-methylpyridin-3-yl)-N~2~-(quinoline-8-sulfonyl)glycinamide	XDS	98.20%	7.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	60.6	-	-		-
7ghc	1.48 Å	2023-11-08	X-ray	Q5C	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.87%	20.97%	8.40%	N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide	N-(4-methylpyridin-3-yl)-N~2~-[(pyridin-3-yl)acetyl]glycinamide	XDS	98.10%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	74.4	-	-		-
7ghd	1.97 Å	2023-11-08	X-ray	Q5K	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.09%	23.44%	7.60%	(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide	(2S)-N-{2-[(4-fluorobenzene-1-sulfonyl)amino]phenyl}-2-hydroxy-2-(pyridin-3-yl)acetamide	XDS	99.60%	9.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	50.6	-	-		-
7ghe	2.17 Å	2023-11-08	X-ray	Q5R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.28%	25.63%	11.40%	4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one	4-(4-phenylpiperazine-1-carbonyl)quinolin-2(1H)-one	XDS	99.80%	8.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	29.6	-	-		-
7ghf	1.66 Å	2023-11-08	X-ray	Q60	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.23%	22.31%	8.80%	N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea	N'-[(1-methyl-1H-1,2,3-triazol-4-yl)methyl]-N-(2-phenylethyl)-N-[(pyridin-3-yl)methyl]urea	XDS	99.40%	8.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	62.0	-	-		-
7ghg	1.45 Å	2023-11-08	X-ray	Q69	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.90%	20.90%	8.90%	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide	N-[(1R)-1-(3-chlorophenyl)-2-hydroxyethyl]acetamide	XDS	98.80%	7.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	74.8	-	-		-
7ghh	1.56 Å	2023-11-08	X-ray	Q6U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.18%	22.34%	8.50%	1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one	1-[4-(prop-2-yn-1-yl)piperazin-1-yl]ethan-1-one	XDS	98.90%	8.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	61.8	-	-		-
7ghi	1.65 Å	2023-11-08	X-ray	Q7C	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	18.08%	21.88%	9.60%	N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide	N~3~-acetyl-N~3~-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-beta-alaninamide	XDS	99.70%	8.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	66.3	-	-		-
7ghj	1.53 Å	2023-11-08	X-ray	Q7R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	15.60%	20.93%	6.10%	1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one	1-[4-(diphenylmethyl)piperazin-1-yl]ethan-1-one	XDS	93.30%	10.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	74.6	-	-		-
7ghk	1.52 Å	2023-11-08	X-ray	Q8I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.51%	20.79%	8.80%	1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine	1-(5-fluoro-1H-indol-3-yl)-N-methylmethanamine	XDS	99.10%	8.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	75.9	-	-		-
7ghl	1.41 Å	2023-11-08	X-ray	Q8O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	17.41%	20.46%	7.10%	2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide	2-(1H-benzimidazol-6-yl)-N-(4-methylpyridin-3-yl)acetamide	XDS	98.10%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	78.5	-	-		-
7ghm	1.69 Å	2023-11-08	X-ray	Q99	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.54%	23.43%	9.80%	N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	N-[2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenoxy)ethyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide	XDS	56.90%	11.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	50.7	-	-		-
7ghn	1.73 Å	2023-11-08	X-ray	QBR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.57%	25.15%	14.70%	N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]furan-2-carboxamide	N-(4-tert-butylphenyl)-N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]furan-2-carboxamide	XDS	68.60%	7.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	33.9	-	-		-
7gho	1.86 Å	2023-11-08	X-ray	QC3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.99%	27.90%	19.80%	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one	XDS	59.90%	5.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	14.5	-	-		-
7ghp	1.54 Å	2023-11-08	X-ray	OYF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.16%	24.71%	8.80%	(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(2,7-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	62.70%	11.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	38.0	-	-		-
7ghq	1.72 Å	2023-11-08	X-ray	OYX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.90%	25.09%	10.40%	N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide	N-(2-cyclohexylethyl)-2-(isoquinolin-4-yl)-N-[(thiophen-2-yl)methyl]acetamide	XDS	62.60%	11.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.5	-	-		-
7ghr	1.66 Å	2023-11-08	X-ray	OZC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.69%	26.03%	9.70%	(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	(3S)-3-(4-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	XDS	57.40%	11.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.3	-	-		-
7ghs	1.66 Å	2023-11-08	X-ray	OVX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.66%	24.84%	11.20%	1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one	1-(3-chlorophenyl)-4-(isoquinoline-4-carbonyl)piperazin-2-one	XDS	59.90%	10.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	36.7	-	-		-
7ght	1.79 Å	2023-11-08	X-ray	OWC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.46%	25.67%	12.10%	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	XDS	73.20%	9.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	29.4	-	-		-
7ghu	1.64 Å	2023-11-08	X-ray	P4R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.21%	25.57%	12.10%	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione	XDS	63.60%	10.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	30.3	-	-		-
7ghv	1.63 Å	2023-11-08	X-ray	OZX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.27%	25.52%	10.40%	2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide	2-(6-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide	XDS	66.80%	10.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	30.5	-	-		-
7ghw	1.58 Å	2023-11-08	X-ray	P3L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.70%	24.57%	8.80%	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-[(4R)-2-oxopiperidin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	69.40%	11.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.5	-	-		-
7ghx	1.49 Å	2023-11-08	X-ray	P7R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.36%	24.15%	8.40%	(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(1-methyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-c]pyridin-7-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	67.00%	11.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	43.5	-	-		-
7ghy	1.62 Å	2023-11-08	X-ray	P9O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.57%	24.40%	9.50%	(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(5,6,7,8-tetrahydro-2,6-naphthyridin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	63.60%	11.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	41.0	-	-		-
7ghz	1.67 Å	2023-11-08	X-ray	PJX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.35%	25.41%	8.70%	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	60.50%	12.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.5	-	-		-
7gi0	1.58 Å	2023-11-08	X-ray	OQL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.85%	25.07%	9.30%	(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	65.10%	11.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.6	-	-		-
7gi1	1.62 Å	2023-11-08	X-ray	PJ6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.42%	25.74%	9.70%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	63.30%	11.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.8	-	-		-
7gi2	1.61 Å	2023-11-08	X-ray	PQ6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.53%	24.30%	8.40%	(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-4-(aminomethyl)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	68.80%	12.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	41.9	-	-		-
7gi3	2.10 Å	2023-11-08	X-ray	Q0I, CA	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.07%	26.22%	16.10%	(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide; CALCIUM ION	(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide; CALCIUM ION	XDS	56.00%	8.6	Diamond (I04-1)	BUSTER	2023-08-11	-	CA	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	25.0	-	-		-
7gi4	1.72 Å	2023-11-08	X-ray	QCC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.17%	25.40%	12.10%	2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide	2-(3-chloro-5-{[(2S)-4-oxoazetidin-2-yl]oxy}phenyl)-N-(4-methylpyridin-3-yl)acetamide	XDS	65.70%	11.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.6	-	-		-
7gi5	2.00 Å	2023-11-08	X-ray	QCO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.89%	29.35%	17.30%	N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-{4-[(propan-2-yl)oxy]phenyl}-1H-imidazole-4-carboxamide	N-[(1R)-2-{[2-(3-fluorophenyl)ethyl]amino}-2-oxo-1-(pyridin-3-yl)ethyl]-N-{4-[(propan-2-yl)oxy]phenyl}-1H-imidazole-4-carboxamide	XDS	54.90%	8.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	9.0	-	-		-
7gi6	1.69 Å	2023-11-08	X-ray	QD4	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.35%	26.45%	13.40%	(4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide	(4R)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroquinoline-1,4(2H)-dicarboxamide	XDS	63.80%	8.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	23.3	-	-		-
7gi7	1.74 Å	2023-11-08	X-ray	QD9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.06%	25.64%	12.30%	N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide	N-[(3-chlorophenyl)methyl]-N-[5-(dimethylamino)pyridin-2-yl]-2-(isoquinolin-4-yl)acetamide	XDS	60.80%	8.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	29.6	-	-		-
7gi8	1.80 Å	2023-11-08	X-ray	QDF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.41%	25.56%	12.30%	(4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-2-oxo-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	64.80%	9.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	30.3	-	-		-
7gi9	1.91 Å	2023-11-08	X-ray	QDU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.94%	28.20%	13.50%	2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide	2-(2,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide	XDS	54.90%	10.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.1	-	-		-
7gia	2.04 Å	2023-11-08	X-ray	QE3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.11%	26.86%	16.30%	2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide	2-(5-chloropyridin-2-yl)-N-(isoquinolin-4-yl)acetamide	XDS	56.40%	8.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	20.5	-	-		-
7gib	1.68 Å	2023-11-08	X-ray	QER	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.87%	25.65%	10.10%	2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide	2-(3-fluorophenyl)-N-(isoquinolin-4-yl)acetamide	XDS	57.30%	11.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	29.5	-	-		-
7gic	1.92 Å	2023-11-08	X-ray	QEX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	29.34%	32.87%	23.50%	N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide	N-(isoquinolin-4-yl)-2-(3-methylphenyl)acetamide	XDS	78.20%	7.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	4.5	-	-		-
7gid	1.90 Å	2023-11-08	X-ray	QF5	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.67%	26.58%	15.00%	N-(isoquinolin-4-yl)-2-phenylacetamide	N-(isoquinolin-4-yl)-2-phenylacetamide	XDS	61.50%	9.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	22.5	-	-		-
7gie	2.17 Å	2023-11-08	X-ray	QF9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.19%	29.23%	23.30%	2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide	2-(3-chloro-5-cyanophenyl)-N-(isoquinolin-4-yl)acetamide	XDS	50.70%	6.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	9.2	-	-		-
7gif	1.68 Å	2023-11-08	X-ray	QFL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.47%	25.58%	9.20%	2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide	2-(4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide	XDS	58.80%	11.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	30.2	-	-		-
7gig	1.94 Å	2023-11-08	X-ray	QFU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.80%	28.00%	18.10%	2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide	2-(3-cyanophenyl)-N-(isoquinolin-4-yl)acetamide	XDS	58.60%	8.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	14.0	-	-		-
7gih	1.63 Å	2023-11-08	X-ray	QG3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.90%	25.27%	9.70%	2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide	2-(3,5-difluorophenyl)-N-(isoquinolin-4-yl)acetamide	XDS	69.20%	10.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	32.9	-	-		-
7gii	2.12 Å	2023-11-08	X-ray	QGC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.65%	28.19%	21.60%	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-[(4H-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	57.90%	7.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.3	-	-		-
7gij	1.90 Å	2023-11-08	X-ray	QGO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.94%	28.05%	16.50%	(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-4-[2-(dimethylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	59.50%	7.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.8	-	-		-
7gik	2.09 Å	2023-11-08	X-ray	QGX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.37%	28.59%	16.10%	(2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide	(2R)-2-amino-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)acetamide	XDS; XDS; XDS	61.30%	8.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	11.6	-	-		-
7gil	2.07 Å	2023-11-08	X-ray	QH6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.56%	28.73%	16.40%	2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide	2-(3-chloro-4-fluorophenyl)-N-(isoquinolin-4-yl)acetamide	XDS	56.50%	8.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	10.9	-	-		-
7gim	2.03 Å	2023-11-08	X-ray	QHI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.62%	27.86%	15.30%	(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6,8-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	52.50%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	14.8	-	-		-
7gin	1.86 Å	2023-11-08	X-ray	QHU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.22%	25.39%	14.50%	(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6,7-dichloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	59.00%	9.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.9	-	-		-
7gio	2.04 Å	2023-11-08	X-ray	QI4	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.69%	26.17%	17.20%	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide	XDS	75.70%	7.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	25.4	-	-		-
7gip	2.05 Å	2023-11-08	X-ray	QI7	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.22%	26.20%	16.10%	(4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-1-[(1H-imidazol-2-yl)methyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	61.90%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	25.0	-	-		-
7giq	1.92 Å	2023-11-08	X-ray	QIM	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.11%	25.97%	15.20%	(4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-[6-(methanesulfonyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	77.40%	8.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.9	-	-		-
7gir	2.18 Å	2023-11-08	X-ray	QIB	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.23%	26.68%	18.00%	(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-4-hydroxy-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	61.70%	8.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.8	-	-		-
7gis	1.84 Å	2023-11-08	X-ray	QIQ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.36%	25.99%	15.30%	2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide	2-(5-chloropyridin-3-yl)-N-(isoquinolin-4-yl)acetamide	XDS	72.30%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.8	-	-		-
7git	2.06 Å	2023-11-08	X-ray	QIT	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.69%	26.93%	25.90%	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(methylamino)acetamide	(2S)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(methylamino)acetamide	XDS	66.00%	6.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	20.0	-	-		-
7giu	2.00 Å	2023-11-08	X-ray	QIZ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.34%	27.01%	38.10%	(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	66.90%	4.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	19.4	-	-		-
7giv	2.20 Å	2023-11-08	X-ray	QJ6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.79%	29.92%	28.20%	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-methoxyacetamide	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-methoxyacetamide	XDS	57.10%	6.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	7.4	-	-		-
7giw	2.45 Å	2023-11-08	X-ray	QJF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.02%	28.31%	21.10%	(4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(6-methoxyisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	51.30%	6.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	12.6	-	-		-
7gix	2.07 Å	2023-11-08	X-ray	P4R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.79%	27.46%	18.80%	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione	XDS	50.60%	8.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	16.9	-	-		-
7giy	2.04 Å	2023-11-08	X-ray	OI4	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	25.03%	29.32%	19.90%	(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(4-methylpyridin-3-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	56.80%	7.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	9.0	-	-		-
7giz	1.97 Å	2023-11-08	X-ray	PUU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.99%	27.54%	17.90%	(4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-1-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	62.80%	8.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	16.5	-	-		-
7gj0	1.81 Å	2023-11-08	X-ray	QJL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.81%	26.71%	10.50%	(4R)-6-chloro-4-{[(N,N-dimethylglycyl)amino]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-4-{[(N,N-dimethylglycyl)amino]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	58.30%	11.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.4	-	-		-
7gj1	1.95 Å	2023-11-08	X-ray	QJR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.18%	27.12%	14.90%	2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide	2-(3,4-dichlorophenyl)-N-(2,7-naphthyridin-4-yl)acetamide	XDS; XDS; XDS	65.40%	8.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	18.8	-	-		-
7gj2	1.87 Å	2023-11-08	X-ray	QK3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.74%	26.38%	13.20%	(4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-4-{[2-(1H-imidazol-1-yl)acetamido]methyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	73.10%	9.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	24.0	-	-		-
7gj3	1.92 Å	2023-11-08	X-ray	PJ6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.81%	25.95%	12.40%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	66.90%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	27.0	-	-		-
7gj4	2.13 Å	2023-11-08	X-ray	QKB	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.79%	28.26%	21.40%	(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	56.90%	7.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	12.9	-	-		-
7gj5	2.13 Å	2023-11-08	X-ray	PJX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.27%	27.50%	22.00%	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-1-methyl-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	67.60%	7.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	16.6	-	-		-
7gj6	2.03 Å	2023-11-08	X-ray	QKI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.95%	26.65%	16.10%	(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide	(2S)-2-(3,4-dichlorophenyl)-2-hydroxy-N-(isoquinolin-4-yl)acetamide	XDS	63.10%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	22.0	-	-		-
7gj7	1.88 Å	2023-11-08	X-ray	Q0I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.04%	24.91%	10.20%	(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-N-propanoyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	67.30%	10.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	36.0	-	-		-
7gj8	2.00 Å	2023-11-08	X-ray	QKR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.08%	26.72%	15.00%	2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide	2-(3,4-dichlorophenyl)-2,2-difluoro-N-(isoquinolin-4-yl)acetamide	XDS	75.50%	8.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.4	-	-		-
7gj9	2.09 Å	2023-11-08	X-ray	QL3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.47%	29.93%	23.30%	N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide	N-(6-acetamidopyridin-3-yl)-N-[(3-chlorophenyl)methyl]-2-(isoquinolin-4-yl)acetamide	XDS	47.50%	7.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	7.4	-	-		-
7gja	2.10 Å	2023-11-08	X-ray	QLC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.53%	28.86%	17.80%	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide	(2R)-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-2-(2-methoxyethoxy)acetamide	XDS	50.60%	7.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	10.5	-	-		-
7gjb	2.03 Å	2023-11-08	X-ray	QLO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.33%	27.35%	24.50%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-[2-(methylamino)-2-oxoethyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	59.20%	6.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	17.5	-	-		-
7gjc	1.93 Å	2023-11-08	X-ray	QM3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.98%	28.58%	23.20%	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione	XDS	100.00%	8.9	Diamond (I03)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	11.6	-	-		-
7gjd	1.79 Å	2023-11-08	X-ray	QM9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.72%	26.20%	15.70%	(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-4-amino-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	100.00%	10.2	Diamond (I03)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	25.0	-	-		-
7gje	2.03 Å	2023-11-08	X-ray	QML	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.01%	26.67%	25.60%	(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide	(3S)-5-chloro-N-(isoquinolin-4-yl)-N-propanoyl-2,3-dihydro-1-benzofuran-3-carboxamide	XDS	100.00%	8.5	Diamond (I03)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.9	-	-		-
7gjf	1.96 Å	2023-11-08	X-ray	QMX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.51%	27.35%	15.90%	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-({[(1-methyl-1H-pyrazol-3-yl)methyl]amino}methyl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	61.40%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	17.5	-	-		-
7gjg	1.99 Å	2023-11-08	X-ray	QN9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.69%	28.03%	13.30%	(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-4-{2-[4-(3-hydroxypropyl)piperazin-1-yl]-2-oxoethyl}-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	59.60%	10.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.9	-	-		-
7gjh	1.92 Å	2023-11-08	X-ray	QNU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.08%	26.86%	15.90%	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	62.00%	9.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	20.5	-	-		-
7gji	1.59 Å	2023-11-08	X-ray	QO0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.99%	24.86%	8.20%	(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6,7-dichloro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	69.00%	12.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	36.6	-	-		-
7gjj	1.75 Å	2023-11-08	X-ray	QOO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.39%	26.69%	13.00%	2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide	2-{3-chloro-5-[4-(ethanesulfonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide	XDS	67.60%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.8	-	-		-
7gjk	2.10 Å	2023-11-08	X-ray	QOU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.08%	29.04%	16.80%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-(2-methoxyethyl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	56.60%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	9.8	-	-		-
7gjl	2.17 Å	2023-11-08	X-ray	QOC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.74%	28.11%	18.20%	(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	(3R)-3-(3,4-dichlorophenyl)-1-(isoquinolin-4-yl)piperidin-2-one	XDS	52.40%	7.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.5	-	-		-
7gjm	1.92 Å	2023-11-08	X-ray	QP0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.45%	27.56%	13.20%	(3R,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(3R,4R)-6-chloro-N-(isoquinolin-4-yl)-3-methyl-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	59.60%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	16.4	-	-		-
7gjn	2.06 Å	2023-11-08	X-ray	QP6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.40%	27.94%	15.00%	(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	62.70%	9.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	14.3	-	-		-
7gjo	2.20 Å	2023-11-08	X-ray	QIZ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.23%	28.32%	16.80%	(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	56.80%	8.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	12.6	-	-		-
7gjp	1.97 Å	2023-11-08	X-ray	QPQ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.45%	28.13%	15.00%	(4S)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-7-fluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	66.00%	7.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.5	-	-		-
7gjq	1.97 Å	2023-11-08	X-ray	QQ6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.36%	27.10%	11.90%	(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzothiopyran-4-carboxamide	XDS	65.60%	11.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	18.9	-	-		-
7gjr	2.25 Å	2023-11-08	X-ray	QQF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.91%	30.27%	17.90%	2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(methoxyacetyl)-L-alaninamide	2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)-N~2~-(methoxyacetyl)-L-alaninamide	XDS	46.50%	8.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	6.9	-	-		-
7gjs	2.00 Å	2023-11-08	X-ray	QQO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.39%	27.86%	12.80%	(2R)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-4-(propan-2-yl)morpholine-2-carboxamide	(2R)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-4-(propan-2-yl)morpholine-2-carboxamide	XDS	64.20%	10.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	14.8	-	-		-
7gjt	2.12 Å	2023-11-08	X-ray	QQU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.86%	28.57%	15.60%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-oxo-2-[(2R)-2-(1H-pyrazol-4-yl)piperidin-1-yl]ethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	56.40%	9.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	11.7	-	-		-
7gju	1.94 Å	2023-11-08	X-ray	QR5	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.06%	27.31%	16.50%	(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide	(2R)-2-[2-(3-cyclopropyl-2-oxoimidazolidin-1-yl)acetamido]-2-(3,4-dichlorophenyl)-N-(isoquinolin-4-yl)propanamide	XDS	51.00%	8.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	17.7	-	-		-
7gjv	2.09 Å	2023-11-08	X-ray	QP6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.25%	27.49%	13.80%	(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6,8-difluoro-N-(isoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	57.20%	10.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	16.8	-	-		-
7gjw	2.46 Å	2023-11-08	X-ray	QR9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.02%	30.33%	36.00%	(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-4-{2-[(1R,4R)-5-acetyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	68.60%	4.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	6.8	-	-		-
7gjx	2.06 Å	2023-11-08	X-ray	QNU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.18%	29.13%	18.70%	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	59.20%	6.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	9.5	-	-		-
7gjy	2.18 Å	2023-11-08	X-ray	QRS	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.74%	28.42%	34.10%	(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide	(3S)-N-{(2R)-2-(3,4-dichlorophenyl)-1-[(isoquinolin-4-yl)amino]-1-oxopropan-2-yl}-1-methylpyrrolidine-3-carboxamide	XDS	100.00%	4.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	12.2	-	-		-
7gjz	1.65 Å	2023-11-08	X-ray	QRF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.05%	25.89%	10.20%	2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide	2-{3-chloro-5-[4-(furan-2-carbonyl)piperazin-1-yl]phenyl}-N-(isoquinolin-4-yl)acetamide	XDS	52.70%	10.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	27.6	-	-		-
7gk0	1.96 Å	2023-11-08	X-ray	QS3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.14%	28.73%	16.40%	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione	(1'M,4S)-6-chloro-1'-(isoquinolin-4-yl)-3'-methyl-2,3-dihydrospiro[[1]benzopyran-4,4'-imidazolidine]-2',5'-dione	XDS	54.00%	8.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	10.9	-	-		-
7gk1	1.94 Å	2023-11-08	X-ray	QSF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.93%	26.89%	58.60%	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2-oxo-2,3-dihydro-1H-indole-3-carboxamide	XDS	48.00%	4.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	20.3	-	-		-
7gk2	2.01 Å	2023-11-08	X-ray	QSX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.57%	28.74%	20.10%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	57.30%	6.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	10.9	-	-		-
7gk3	2.19 Å	2023-11-08	X-ray	QT3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.69%	28.27%	22.90%	(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide	(1R)-7-chloro-N-(isoquinolin-4-yl)-2-methyl-1,2,3,4-tetrahydroisoquinoline-1-carboxamide	XDS	51.80%	7.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	12.9	-	-		-
7gk4	2.23 Å	2023-11-08	X-ray	QTC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.26%	28.43%	42.50%	2-(3-chloro-5-ethylphenyl)-N-(isoquinolin-4-yl)acetamide	2-(3-chloro-5-ethylphenyl)-N-(isoquinolin-4-yl)acetamide	XDS	100.00%	4.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	12.2	-	-		-
7gk5	1.97 Å	2023-11-08	X-ray	QC3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.92%	26.79%	15.60%	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one	(3S)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one	XDS	66.20%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.1	-	-		-
7gk6	1.98 Å	2023-11-08	X-ray	QTL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.79%	28.84%	15.30%	(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide	(1R)-7-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamide	XDS	53.70%	8.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	10.5	-	-		-
7gk7	2.18 Å	2023-11-08	X-ray	QU9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.77%	29.18%	21.90%	(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-4-(2-{(2R)-2-[(1H-imidazol-1-yl)methyl]pyrrolidin-1-yl}-2-oxoethyl)-N-(isoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	59.40%	7.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	9.4	-	-		-
7gk8	2.20 Å	2023-11-08	X-ray	QUQ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.91%	28.90%	45.60%	(4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-2-acetyl-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	99.90%	5.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	10.2	-	-		-
7gk9	2.02 Å	2023-11-08	X-ray	QV0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.25%	27.75%	35.90%	(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one	(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-piperidin]-2'-one	XDS	99.70%	4.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	15.4	-	-		-
7gka	2.06 Å	2023-11-08	X-ray	QV9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.34%	28.27%	18.20%	(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one	(3R)-3-(3-chlorophenyl)-1-(isoquinolin-4-yl)pyrrolidin-2-one	XDS	59.20%	7.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	12.9	-	-		-
7gkb	1.96 Å	2023-11-08	X-ray	QVG	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.94%	28.45%	17.10%	(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-7-fluoro-N-(6-fluoroisoquinolin-4-yl)-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	61.20%	7.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	12.1	-	-		-
7gkc	1.94 Å	2023-11-08	X-ray	QVJ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.03%	26.77%	12.50%	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-{[2-(methylamino)-2-oxoethoxy]methyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	55.60%	10.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.1	-	-		-
7gkd	2.24 Å	2023-11-08	X-ray	QVU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.44%	29.87%	22.10%	(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6,7-dichloro-N-(2,7-naphthyridin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	50.90%	7.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	7.6	-	-		-
7gke	1.97 Å	2023-11-08	X-ray	QW1	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.94%	28.14%	16.70%	(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide	(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide	XDS	52.90%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.4	-	-		-
7gkf	1.85 Å	2023-11-08	X-ray	QWL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.10%	26.32%	16.10%	(4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6,7-dichloro-N-(6-fluoroisoquinolin-4-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	59.20%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	24.2	-	-		-
7gkg	2.03 Å	2023-11-08	X-ray	QWU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.13%	27.89%	14.20%	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide	(3S)-5-chloro-N-(isoquinolin-4-yl)-3-methyl-2,3-dihydro-1H-indole-3-carboxamide	XDS	51.50%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	14.7	-	-		-
7gkh	1.99 Å	2023-11-08	X-ray	QX3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.91%	28.21%	14.90%	(4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6,7-dichloro-N-(4-cyclopropylpyridin-3-yl)-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	62.20%	9.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.1	-	-		-
7gki	2.00 Å	2023-11-08	X-ray	QX9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.68%	29.11%	26.40%	2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide	2-(3-chlorophenyl)-N-(6-methylisoquinolin-4-yl)acetamide	XDS	72.90%	6.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	9.6	-	-		-
7gkj	1.76 Å	2023-11-08	X-ray	QXI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.38%	27.42%	9.70%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-{2-[(4R,8S)-8-methyl-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]-2-oxoethyl}-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	58.80%	11.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	17.1	-	-		-
7gkk	1.80 Å	2023-11-08	X-ray	QXR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.85%	27.65%	9.50%	N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide	N-(4-tert-butoxypyridin-3-yl)-2-(3-chlorophenyl)acetamide	XDS	58.50%	11.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	15.9	-	-		-
7gkl	1.93 Å	2023-11-08	X-ray	QXX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.92%	27.67%	12.50%	2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide	2-(3-chlorophenyl)-N-[4-(trifluoromethyl)pyridin-3-yl]acetamide	XDS	55.00%	10.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	15.8	-	-		-
7gkm	1.95 Å	2023-11-08	X-ray	QY6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.15%	27.98%	12.80%	(3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one	(3R)-6'-chloro-1-(isoquinolin-4-yl)-2',3'-dihydro-1'H-spiro[piperidine-3,4'-quinolin]-2-one	XDS	55.90%	9.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	14.2	-	-		-
7gkn	1.92 Å	2023-11-08	X-ray	QYI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.79%	27.42%	15.70%	(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	68.30%	8.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	17.1	-	-		-
7gko	2.05 Å	2023-11-08	X-ray	QYN	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.92%	27.37%	14.20%	(4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-(1H-imidazole-2-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	52.20%	9.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	17.5	-	-		-
7gkp	1.79 Å	2023-11-08	X-ray	QYR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.82%	26.32%	11.60%	(4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-(cyclopropanesulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	60.30%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	24.2	-	-		-
7gkq	2.07 Å	2023-11-08	X-ray	QZ0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.40%	27.20%	14.70%	(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-N~2~,N~2~-dimethyl-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide	(4S)-6-chloro-N~4~-(isoquinolin-4-yl)-N~2~,N~2~-dimethyl-3,4-dihydroisoquinoline-2,4(1H)-dicarboxamide	XDS	56.70%	9.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	18.3	-	-		-
7gkr	2.02 Å	2023-11-08	X-ray	QZC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.35%	26.53%	14.50%	(4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-(dimethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	53.20%	8.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	22.7	-	-		-
7gks	1.81 Å	2023-11-08	X-ray	QZL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.04%	25.00%	12.20%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-3-methylpyrrolidine-1-sulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	62.00%	10.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	35.1	-	-		-
7gkt	1.84 Å	2023-11-08	X-ray	QZU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.95%	26.04%	13.80%	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-(isoquinolin-4-yl)-4-[(prop-2-enamido)methyl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	61.90%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.2	-	-		-
7gku	1.87 Å	2023-11-08	X-ray	R08	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.53%	25.77%	15.00%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(1-methyl-1H-pyrazole-5-carbonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	56.10%	6.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.6	-	-		-
7gkv	1.88 Å	2023-11-08	X-ray	R0F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.85%	26.44%	15.10%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	55.40%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	23.4	-	-		-
7gkw	1.91 Å	2023-11-08	X-ray	R0Q	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.32%	25.81%	15.10%	methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate	methyl ({(4R)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydro-2H-1-benzopyran-4-yl}methyl)carbamate	XDS	72.50%	9.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.1	-	-		-
7gkx	1.87 Å	2023-11-08	X-ray	R1I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.40%	28.20%	17.60%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-methoxyethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	51.80%	6.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	13.1	-	-		-
7gky	1.97 Å	2023-11-08	X-ray	R1U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.01%	26.25%	15.30%	2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide	2-(3-chlorophenyl)-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)acetamide	XDS	57.40%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	24.8	-	-		-
7gkz	1.81 Å	2023-11-08	X-ray	R2L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.80%	25.76%	17.50%	(4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4R)-6-chloro-N-[4-methyl-5-(methylamino)pyridin-3-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	61.10%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.6	-	-		-
7gl0	1.82 Å	2023-11-08	X-ray	R2X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.57%	25.72%	12.80%	(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)	(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)	XDS	67.40%	10.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.9	-	-		-
7gl1	1.71 Å	2023-11-08	X-ray	R3I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.13%	23.93%	9.00%	(3S)-5-chloro-1'-(6-fluoroisoquinolin-4-yl)-2H-spiro[[1]benzofuran-3,3'-pyrrolidin]-2'-one	(3S)-5-chloro-1'-(6-fluoroisoquinolin-4-yl)-2H-spiro[[1]benzofuran-3,3'-pyrrolidin]-2'-one	XDS	70.20%	12.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	45.5	-	-		-
7gl2	1.81 Å	2023-11-08	X-ray	R43	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.91%	25.88%	10.50%	(4S)-6-chloro-2-(3-cyanoazetidine-1-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-(3-cyanoazetidine-1-sulfonyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	70.40%	10.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	27.7	-	-		-
7gl3	1.75 Å	2023-11-08	X-ray	R4X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.06%	24.21%	10.60%	(4S)-2-(azetidine-1-sulfonyl)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-2-(azetidine-1-sulfonyl)-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	71.00%	10.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	42.8	-	-		-
7gl4	1.87 Å	2023-11-08	X-ray	R5H	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.84%	25.44%	10.70%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(3-methoxyazetidine-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(3-methoxyazetidine-1-sulfonyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	70.90%	10.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.3	-	-		-
7gl5	1.68 Å	2023-11-08	X-ray	R5O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.99%	25.74%	11.00%	(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	61.70%	10.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.8	-	-		-
7gl6	1.72 Å	2023-11-08	X-ray	R66	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.06%	24.25%	10.10%	(3R)-3-(3-chlorophenyl)-3-hydroxy-1-(isoquinolin-4-yl)pyrrolidin-2-one	(3R)-3-(3-chlorophenyl)-3-hydroxy-1-(isoquinolin-4-yl)pyrrolidin-2-one	XDS	70.90%	11.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	42.5	-	-		-
7gl7	1.85 Å	2023-11-08	X-ray	R6L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.61%	24.85%	13.80%	(4S)-6-chloro-4-methoxy-N-[7-(methylsulfamoyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-4-methoxy-N-[7-(methylsulfamoyl)isoquinolin-4-yl]-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	63.30%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	36.7	-	-		-
7gl8	1.64 Å	2023-11-08	X-ray	KG9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.68%	24.20%	8.60%	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	70.70%	11.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	42.9	-	-		-
7gl9	1.94 Å	2023-11-08	X-ray	QM3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.04%	28.88%	17.50%	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione	(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidine]-2',5'-dione	XDS	52.50%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	10.4	-	-		-
7gla	1.68 Å	2023-11-08	X-ray	R7F	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.10%	24.52%	10.20%	(4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide	(4R)-6-chloro-N-[6-(2-hydroxypropan-2-yl)isoquinolin-4-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide	XDS	58.40%	10.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.8	-	-		-
7glb	1.95 Å	2023-11-08	X-ray	R76	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.29%	24.86%	12.50%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	65.40%	13.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	36.6	-	-		-
7glc	1.95 Å	2023-11-08	X-ray	R87	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.95%	27.06%	15.30%	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-4-methoxy-3,4-dihydro-2H-1-benzopyran-4-carboxamide	XDS	67.40%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	19.2	-	-		-
7gld	1.78 Å	2023-11-08	X-ray	R8I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.98%	24.83%	14.10%	(4S)-6-chloro-2-{2-[(cyanomethyl)amino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-{2-[(cyanomethyl)amino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	58.20%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	36.8	-	-		-
7gle	1.98 Å	2023-11-08	X-ray	R8O	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.70%	25.88%	12.90%	(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	64.30%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	27.7	-	-		-
7glf	1.67 Å	2023-11-08	X-ray	R8X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.22%	23.97%	11.20%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2-methoxyethyl)(methyl)sulfamoyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2-methoxyethyl)(methyl)sulfamoyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	69.20%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	45.2	-	-		-
7glg	1.67 Å	2023-11-08	X-ray	R95	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.27%	23.85%	11.10%	(4S)-6-chloro-2-[(cyanomethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[(cyanomethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	58.20%	9.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.4	-	-		-
7glh	1.91 Å	2023-11-08	X-ray	R9E	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.18%	25.71%	13.70%	2-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinolin-4-yl)acetamide	2-(3-chlorophenyl)-N-(7-fluoro-6-methoxyisoquinolin-4-yl)acetamide	XDS	64.30%	10.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.9	-	-		-
7gli	1.84 Å	2023-11-08	X-ray	R9I	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.43%	25.57%	17.00%	methyl N-[(4S)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl]-N-methylglycinate	methyl N-[(4S)-6-chloro-4-[(isoquinolin-4-yl)carbamoyl]-3,4-dihydroisoquinoline-2(1H)-sulfonyl]-N-methylglycinate	XDS	55.60%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	30.3	-	-		-
7glj	1.81 Å	2023-11-08	X-ray	R9R	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.54%	24.71%	12.00%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3-methyl-1,1-dioxo-1lambda~6~-thietan-3-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	55.40%	10.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	38.0	-	-		-
7glk	1.74 Å	2023-11-08	X-ray	R9Z	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.86%	24.00%	9.40%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	72.80%	10.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	44.7	-	-		-
7gll	1.91 Å	2023-11-08	X-ray	RAQ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.63%	24.49%	10.50%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(oxan-4-yl)methanesulfonyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	74.80%	10.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	40.4	-	-		-
7glm	1.91 Å	2023-11-08	X-ray	RBM	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.45%	25.97%	16.40%	(4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[(2-cyanoethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	54.80%	7.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.9	-	-		-
7gln	1.84 Å	2023-11-08	X-ray	RBX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.21%	24.00%	11.70%	(4S)-6-chloro-2-[ethyl(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[ethyl(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	68.20%	9.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	44.7	-	-		-
7glo	1.93 Å	2023-11-08	X-ray	L6D	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.79%	24.64%	14.30%	N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide	N-(1H-benzimidazol-1-yl)-2-(3-chlorophenyl)acetamide	XDS	60.20%	9.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	38.7	-	-		-
7glp	1.92 Å	2023-11-08	X-ray	860	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.57%	25.02%	11.40%	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide	2-(3-chlorophenyl)-N-(isoquinolin-4-yl)acetamide	XDS	80.70%	10.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.9	-	-		-
7glq	2.06 Å	2023-11-08	X-ray	NM0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.85%	24.38%	14.30%	2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide	2-(3-chlorophenyl)-N-[(4R)-imidazo[1,2-a]pyridin-3-yl]acetamide	XDS	82.10%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	41.4	-	-		-
7glr	1.79 Å	2023-11-08	X-ray	O0X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.96%	24.48%	10.00%	2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide	2-(3-chlorophenyl)-N-(1,7-naphthyridin-5-yl)acetamide	XDS	60.90%	10.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	40.4	-	-		-
7gls	1.73 Å	2023-11-08	X-ray	OE6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.70%	26.13%	13.10%	N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide	N-(1H-benzotriazol-1-yl)-2-(3-chlorophenyl)acetamide	XDS	56.90%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	25.6	-	-		-
7glt	1.86 Å	2023-11-08	X-ray	RC9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.62%	24.09%	12.40%	(4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[(1-cyanocyclobutyl)methanesulfonyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	72.00%	9.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	44.1	-	-		-
7glu	1.63 Å	2023-11-08	X-ray	RD5	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.15%	24.49%	9.80%	2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide	2-(5-chloro-2-{[(methanesulfonyl)amino]methyl}phenyl)-N-(isoquinolin-4-yl)acetamide	XDS	59.30%	11.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	40.4	-	-		-
7glv	1.72 Å	2023-11-08	X-ray	R76	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.14%	24.81%	13.90%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	55.50%	9.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	37.0	-	-		-
7glw	1.59 Å	2023-11-08	X-ray	RDK	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.89%	23.66%	7.90%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	XDS	62.40%	12.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	48.3	-	-		-
7glx	1.49 Å	2023-11-08	X-ray	RDQ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.17%	24.14%	11.20%	(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	65.30%	8.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	43.5	-	-		-
7gly	1.80 Å	2023-11-08	X-ray	RDX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.40%	24.29%	12.10%	(4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[(2-hydroxyethyl)(methyl)sulfamoyl]-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	61.20%	11.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	42.2	-	-		-
7glz	1.68 Å	2023-11-08	X-ray	REU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.74%	25.37%	13.60%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(2S)-1-(methylamino)-1-oxopropan-2-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	61.70%	9.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	32.0	-	-		-
7gm0	1.76 Å	2023-11-08	X-ray	RFF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.71%	25.09%	12.90%	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-(1-methyl-1H-pyrazolo[4,3-c]pyridin-7-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	62.00%	8.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.5	-	-		-
7gm1	1.94 Å	2023-11-08	X-ray	RFR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.28%	26.08%	12.50%	(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-{6-[(methanesulfonyl)amino]isoquinolin-4-yl}-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	61.30%	9.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.1	-	-		-
7gm2	1.89 Å	2023-11-08	X-ray	RG3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.96%	24.41%	15.60%	(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	57.20%	7.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	40.9	-	-		-
7gm3	2.02 Å	2023-11-08	X-ray	RG9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.03%	25.42%	16.10%	2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide	2-(3-chlorophenyl)-N-[7-(2-hydroxypropan-2-yl)isoquinolin-4-yl]acetamide	XDS	54.20%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.4	-	-		-
7gm4	1.75 Å	2023-11-08	X-ray	RGQ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.03%	26.35%	13.80%	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	54.90%	7.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	24.1	-	-		-
7gm5	1.71 Å	2023-11-08	X-ray	RGX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.78%	24.68%	9.10%	(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-(cyclopropylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	67.70%	11.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	38.5	-	-		-
7gm6	1.87 Å	2023-11-08	X-ray	RHI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.63%	25.45%	14.20%	(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	60.50%	8.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.2	-	-		-
7gm7	1.84 Å	2023-11-08	X-ray	RI1	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.45%	25.56%	14.50%	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	XDS	64.60%	9.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	30.3	-	-		-
7gm8	1.73 Å	2023-11-08	X-ray	RI6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.56%	24.39%	12.10%	(4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(7-chloroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	57.60%	9.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	41.3	-	-		-
7gm9	1.83 Å	2023-11-08	X-ray	RIJ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.40%	25.10%	5.80%	2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	2-[(1'P,3'S)-6-chloro-1'-(isoquinolin-4-yl)-2',5'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	XDS	65.30%	15.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.2	-	-		-
7gma	1.86 Å	2023-11-08	X-ray	R2X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.69%	24.83%	8.20%	(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)	(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)	XDS	61.50%	12.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	36.8	-	-		-
7gmb	2.21 Å	2023-11-08	X-ray	RIU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.75%	24.60%	7.70%	2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide	2-(3-chlorophenyl)-N-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide	XDS	69.00%	14.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.0	-	-		-
7gmc	1.82 Å	2023-11-08	X-ray	RIY	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.78%	23.80%	6.40%	(4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-(ethylsulfamoyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	68.60%	14.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.8	-	-		-
7gmd	1.94 Å	2023-11-08	X-ray	R2X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.54%	24.27%	8.60%	(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)	(2S,5R)-N-{(1R)-1-(3-chlorophenyl)-2-[(isoquinolin-4-yl)amino]-2-oxoethyl}-5-(pyrrolidine-1-carbonyl)oxolane-2-carboxamide (non-preferred name)	XDS	71.30%	12.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	42.4	-	-		-
7gme	1.85 Å	2023-11-08	X-ray	RJ3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.04%	24.39%	9.80%	4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid	4-[2-(3-chlorophenyl)acetamido]isoquinoline-7-carboxylic acid	XDS	62.80%	9.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	41.3	-	-		-
7gmf	1.80 Å	2023-11-08	X-ray	RJF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.61%	23.74%	5.50%	(4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[2-(methylamino)-2-oxoethyl]-N-(5-methylisoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	72.20%	15.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	47.5	-	-		-
7gmg	1.81 Å	2023-11-08	X-ray	RJO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.11%	23.82%	7.80%	(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(6-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	64.50%	11.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.6	-	-		-
7gmh	1.85 Å	2023-11-08	X-ray	RJX	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.12%	23.57%	6.10%	4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid	4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxylic acid	XDS	67.00%	14.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	49.3	-	-		-
7gmi	2.01 Å	2023-11-08	X-ray	RK6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.82%	24.53%	11.60%	4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide	4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-7-carboxamide	XDS	61.10%	10.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.8	-	-		-
7gmj	1.84 Å	2023-11-08	X-ray	RKC	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.08%	23.70%	6.60%	(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one	(3'R)-6-chloro-1'-(isoquinolin-4-yl)-2,3-dihydrospiro[[1]benzopyran-4,3'-pyrrolidin]-2'-one	XDS	77.30%	13.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	47.7	-	-		-
7gmk	1.84 Å	2023-11-08	X-ray	RKR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.52%	24.02%	5.80%	2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide	2-(3-chlorophenyl)-N-[6-(dimethylamino)isoquinolin-4-yl]acetamide	XDS	83.00%	14.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	44.6	-	-		-
7gml	1.91 Å	2023-11-08	X-ray	RL0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.32%	24.36%	9.30%	2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide	2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide	XDS	69.70%	11.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	41.5	-	-		-
7gmm	1.84 Å	2023-11-08	X-ray	RL8	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.25%	23.78%	6.10%	4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide	4-[2-(3-chlorophenyl)acetamido]-N-methylisoquinoline-6-carboxamide	XDS	72.80%	14.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	47.2	-	-		-
7gmn	2.19 Å	2023-11-08	X-ray	RLH	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.46%	26.78%	12.90%	2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide	2-(3-chlorophenyl)-N-{7-[2-(pyrrolidin-1-yl)ethoxy]isoquinolin-4-yl}acetamide	XDS	57.70%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.1	-	-		-
7gmo	1.85 Å	2023-11-08	X-ray	RLR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.98%	24.51%	8.00%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(3R)-2-oxopyrrolidin-3-yl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	61.70%	11.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.9	-	-		-
7gmp	2.08 Å	2023-11-08	X-ray	RM3	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.01%	25.93%	15.00%	2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide	2-(3-chlorophenyl)-N-[7-(dimethylamino)isoquinolin-4-yl]acetamide	XDS	55.70%	9.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	27.1	-	-		-
7gmq	1.86 Å	2023-11-08	X-ray	RMI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.99%	24.43%	6.70%	2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide	2-(3-chlorophenyl)-N-{7-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}acetamide	XDS	70.30%	13.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	40.8	-	-		-
7gmr	1.84 Å	2023-11-08	X-ray	RN0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.36%	24.94%	11.70%	4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate	4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate	XDS	68.60%	9.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	35.7	-	-		-
7gms	1.90 Å	2023-11-08	X-ray	RNI	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.82%	25.67%	12.60%	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[(1-cyanocyclopropyl)methanesulfonyl]-N-{7-[(methanesulfonyl)amino]isoquinolin-4-yl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	64.80%	8.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	29.4	-	-		-
7gmt	1.74 Å	2023-11-08	X-ray	ROZ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.60%	24.67%	10.20%	4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide	4-[2-(3-chlorophenyl)acetamido]isoquinoline-6-carboxamide	XDS	59.50%	10.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	38.5	-	-		-
7gmu	1.74 Å	2023-11-08	X-ray	RPK	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.80%	25.93%	9.90%	N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide	N-(6-acetamidoisoquinolin-4-yl)-2-(3-chlorophenyl)acetamide	XDS	59.30%	10.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	27.1	-	-		-
7gmv	1.90 Å	2023-11-08	X-ray	RPZ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.39%	25.19%	13.90%	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	XDS	56.40%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	33.6	-	-		-
7gmw	1.83 Å	2023-11-08	X-ray	RQ6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.64%	25.55%	15.60%	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	56.10%	8.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	30.4	-	-		-
7gmx	2.03 Å	2023-11-08	X-ray	RQO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.84%	26.77%	16.50%	4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide	4-[2-(3-chlorophenyl)acetamido]-N,N-dimethylisoquinoline-6-carboxamide	XDS	57.00%	7.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	21.1	-	-		-
7gmy	1.84 Å	2023-11-08	X-ray	RQF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.09%	25.53%	12.50%	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-[2-oxo-2-(propylamino)ethyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	61.10%	9.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	30.5	-	-		-
7gmz	1.62 Å	2023-11-08	X-ray	RR0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.97%	24.79%	9.60%	(2r,4r)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2,3-dihydro-4H-2,4-methano-1-benzopyran-4-carboxamide	(2r,4r)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-2,3-dihydro-4H-2,4-methano-1-benzopyran-4-carboxamide	XDS	56.60%	10.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	37.4	-	-		-
7gn0	1.81 Å	2023-11-08	X-ray	RRD	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.50%	24.73%	12.60%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[(oxetan-3-yl)amino]-2-oxoethyl}-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	52.10%	5.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	37.8	-	-		-
7gn1	1.90 Å	2023-11-08	X-ray	RRU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.97%	26.08%	14.80%	1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	XDS	62.70%	8.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.1	-	-		-
7gn2	1.74 Å	2023-11-08	X-ray	RS6	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.57%	24.16%	14.30%	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(7-fluoroisoquinolin-4-yl)-1-oxo-2-{2-oxo-2-[(propan-2-yl)amino]ethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	62.90%	8.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	43.4	-	-		-
7gn3	2.01 Å	2023-11-08	X-ray	RSL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.08%	26.13%	18.70%	4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate	4-[2-(3-chlorophenyl)acetamido]isoquinolin-7-yl methanesulfonate	XDS	61.30%	7.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	25.6	-	-		-
7gn4	1.72 Å	2023-11-08	X-ray	RT4	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.76%	24.10%	13.10%	(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-[2-(cyclopropylamino)-2-oxoethyl]-N-(isoquinolin-4-yl)-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	64.00%	9.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	43.8	-	-		-
7gn5	1.86 Å	2023-11-08	X-ray	RT9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.61%	25.44%	21.00%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[(1-methoxycyclopropyl)methanesulfonyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	61.90%	7.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	31.3	-	-		-
7gn6	2.44 Å	2023-11-08	X-ray	RTS	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.03%	27.44%	34.10%	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-4-methyl-2-[2-(methylamino)-2-oxoethyl]-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	XDS	65.00%	4.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	17.0	-	-		-
7gn7	2.35 Å	2023-11-08	X-ray	RV0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	19.47%	26.44%	24.40%	(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	(4S)-6-chloro-4-ethyl-N-(isoquinolin-4-yl)-1,1-dioxo-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	XDS	51.40%	4.3	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	23.4	-	-		-
7gn8	1.90 Å	2023-11-08	X-ray	RPZ	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.04%	25.02%	13.80%	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	XDS	69.80%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.9	-	-		-
7gn9	2.15 Å	2023-11-08	X-ray	RVL	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.27%	25.32%	24.00%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-[1-(methylcarbamoyl)cyclopropyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	58.50%	6.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	32.3	-	-		-
7gna	2.09 Å	2023-11-08	X-ray	RVR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.46%	26.58%	24.70%	(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	XDS	51.80%	5.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	22.5	-	-		-
7gnb	1.67 Å	2023-11-08	X-ray	RW0	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.95%	23.86%	9.60%	(3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(3R,4S)-6-chloro-N-[7-(methanesulfonyl)isoquinolin-4-yl]-3-methyl-2-[2-(methylamino)-2-oxoethyl]-1-oxo-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	58.70%	11.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.3	-	-		-
7gnc	1.68 Å	2023-11-08	X-ray	RW9	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.95%	23.84%	15.90%	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	XDS	61.10%	8.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.4	-	-		-
7gnd	1.66 Å	2023-11-08	X-ray	RVR	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.42%	23.83%	11.90%	(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	(4S)-6-chloro-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	XDS	68.90%	9.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	46.5	-	-		-
7gne	1.74 Å	2023-11-08	X-ray	RWO	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.71%	25.07%	13.30%	(4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	(4R)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	XDS	56.60%	8.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.6	-	-		-
7gnf	1.69 Å	2023-11-08	X-ray	RWT	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.45%	25.10%	12.20%	(4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	(4S)-6-chloro-4-methyl-1,1-dioxo-N-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1,2,3,4-tetrahydro-1lambda~6~,2-benzothiazine-4-carboxamide	XDS	57.90%	7.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.2	-	-		-
7gng	1.77 Å	2023-11-08	X-ray	RXU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.71%	24.96%	11.00%	2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	2-[(3'S)-6-chloro-2'-oxo-1'-(5,6,7,8-tetrahydroisoquinolin-4-yl)-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	XDS	59.10%	10.0	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	35.6	-	-		-
7gnh	1.78 Å	2023-11-08	X-ray	RYB	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.73%	24.23%	10.60%	1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	1-{[(3'S)-6-chloro-1'-{6-[2-(dimethylamino)ethoxy]isoquinolin-4-yl}-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	XDS	74.00%	9.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	42.7	-	-		-
7gni	1.64 Å	2023-11-08	X-ray	RZF	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.44%	24.06%	13.70%	2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	2-[(3'S)-6-chloro-1'-(6-chloroisoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylacetamide	XDS	60.70%	9.1	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	44.3	-	-		-
7gnj	1.45 Å	2023-11-08	X-ray	RZU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.51%	22.92%	10.30%	1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide	1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide	XDS	100.00%	10.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	55.8	-	-		-
7gnk	1.72 Å	2023-11-08	X-ray	S0X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.22%	25.26%	18.80%	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide	2-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-(cyclopropylmethyl)acetamide	XDS	98.20%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	32.9	-	-		-
7gnl	1.68 Å	2023-11-08	X-ray	S1U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	21.78%	23.93%	12.80%	(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-2-{2-[4-(4-ethylpiperazin-1-yl)anilino]-2-oxoethyl}-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	100.00%	9.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	45.5	-	-		-
7gnm	1.75 Å	2023-11-08	X-ray	S1L, NA	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.64%	25.37%	14.90%	SODIUM ION; (4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-{2-[3-(morpholin-4-yl)anilino]-2-oxoethyl}-1,2,3,4-tetrahydroisoquinoline-4-carboxamide; SODIUM ION	XDS	100.00%	9.2	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	32.0	-	-		-
7gnn	1.81 Å	2023-11-08	X-ray	S39	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.34%	25.18%	17.10%	(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-2-{2-[(1,3-benzothiazol-5-yl)amino]-2-oxoethyl}-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	98.30%	7.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	33.7	-	-		-
7gno	1.66 Å	2023-11-08	X-ray	S3X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.92%	23.23%	11.50%	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-6-chloro-N-(isoquinolin-4-yl)-2-(2-{[(1S)-1-(4-nitrophenyl)ethyl]amino}-2-oxoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	99.80%	10.6	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	52.7	-	-		-
7gnp	1.55 Å	2023-11-08	X-ray	NA, S4X	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.15%	26.00%	15.30%	(4S)-6-chloro-2-(2-{[(1r,3R,5R,7S)-3-hydroxyadamantan-1-yl]amino}-2-oxoethyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide; SODIUM ION	SODIUM ION; (4S)-6-chloro-2-(2-{[(1r,3R,5R,7S)-3-hydroxyadamantan-1-yl]amino}-2-oxoethyl)-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	100.00%	6.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	26.5	-	-		-
7gnq	1.53 Å	2023-11-08	X-ray	S5L	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	20.44%	22.35%	13.40%	(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	(4S)-2-[2-(4-acetamidoanilino)-2-oxoethyl]-6-chloro-N-(isoquinolin-4-yl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide	XDS	99.90%	8.8	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	61.7	-	-		-
7gnr	1.82 Å	2023-11-08	X-ray	RZU	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	23.00%	25.71%	24.90%	1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide	1-[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-1,2'-dioxo-1H-spiro[isoquinoline-4,3'-pyrrolidin]-2(3H)-yl]-N-methylcyclopropane-1-carboxamide	XDS	100.00%	7.4	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	28.9	-	-		-
7gns	1.62 Å	2023-11-08	X-ray	S6K	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	24.69%	26.50%	13.80%	1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	1-{[(3'S,4'R)-6-chloro-1'-(isoquinolin-4-yl)-4'-methyl-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	XDS	99.70%	8.5	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	22.9	-	-		-
7gnt	1.56 Å	2023-11-08	X-ray	S7C	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.81%	25.10%	12.80%	1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	1-{[(3'S,4'R)-6-chloro-4'-ethyl-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-pyrrolidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	XDS	98.50%	8.9	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	34.2	-	-		-
7gnu	1.48 Å	2023-11-08	X-ray	S7U	SARS-CoV-2	NSP5 (3CLpro)	PanDDA fragment screening	22.95%	24.51%	10.60%	1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	1-{[(3'S)-6-chloro-1'-(isoquinolin-4-yl)-2'-oxo-1H-spiro[isoquinoline-4,3'-piperidine]-2(3H)-sulfonyl]methyl}cyclopropane-1-carbonitrile	XDS	100.00%	9.7	Diamond (I04-1)	BUSTER	2023-08-11	-	-	-	-	-	N/A	-	-	3C-like proteinase	-	-		No	-	-	39.9	-	-		-
8bfo	1.99 Å	2023-11-08	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		21.20%	28.59%	N/A		-	XDS	98.60%	7.75	ALBA (XALOC)	REFMAC	2022-10-26	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	11.6	-	-		-
8bfq	1.86 Å	2023-11-08	X-ray	-	SARS-CoV-2	NSP5 (3CLpro)		19.22%	25.34%	N/A		-	XDS	97.10%	10.06	ALBA (XALOC)	REFMAC	2022-10-26	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	32.2	-	-		-
8bg1	2.88 Å	2023-11-08	X-ray	NAG	SARS-CoV-2	Spike		20.21%	24.44%	13.65%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	96.95%	9.38	SLS (X06SA)	PHENIX	2022-10-27	-	-	-	-	-	N/A	-	-	pT1511 Fab heavy chain; pT1511 Fab light chain; Spike protein S1	-	-		No	-	-	40.7	-	-		-
8bg2	2.10 Å	2023-11-08	X-ray	NAG	SARS-CoV-2	Spike		18.90%	22.73%	9.49%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	94.11%	9.19	SLS (X06SA)	PHENIX	2022-10-27	-	-	-	-	-	N/A	-	-	Spike protein S1; pT1375 single-chain Fv	-	-		No	-	-	57.8	-	-		-
8bg3	1.90 Å	2023-11-08	X-ray	NAG	SARS-CoV-2	Spike		18.48%	21.40%	9.14%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	92.35%	8.46	SLS (X06SA)	PHENIX	2022-10-27	-	-	-	-	-	N/A	-	-	Spike protein S1; pT1610 single-chain Fv	-	-		No	-	-	70.6	-	-		-
8bg4	1.60 Å	2023-11-08	X-ray	NAG	SARS-CoV-2	Spike		19.45%	20.77%	9.06%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.90%	21.14	SLS (X06SA)	PHENIX	2022-10-27	-	-	-	-	-	N/A	-	-	Spike protein S1; pT1611 single-chain Fv	-	-		No	-	-	76.0	-	-		-
8bg5	2.05 Å	2023-11-08	X-ray	NAG	SARS-CoV-2	Spike		19.63%	21.66%	11.30%		2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	99.75%	16.31	SOLEIL (PROXIMA 1)	PHENIX	2022-10-27	-	-	-	-	-	N/A	-	-	pT1631 single-chain Fv; Spike protein S1	-	-		No	-	-	68.4	-	-		-
8bg6	4.11 Å	2023-11-08	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX; phenix.real_space_refine	2022-10-27	-	-	-	-	-	N/A	-	-	pT1644 Fab light chain; Spike glycoprotein; pT1644 Fab heavy chain	N/A	-		No	-	-	N/A	N/A	N/A		-
8bg8	3.64 Å	2023-11-08	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2022-10-27	-	-	-	-	-	N/A	-	-	Spike glycoprotein; pT1696 Fab light chain; pT1696 Fab heavy chain	N/A	-		No	-	-	N/A	N/A	N/A		-
8bga	1.98 Å	2023-11-08	X-ray	QQL	SARS-CoV-2	NSP5 (3CLpro)		19.27%	23.72%	N/A	4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide	4-methoxy-~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]-1~{H}-indole-2-carboxamide	XDS	98.70%	9.13	ESRF (ID30B)	REFMAC	2022-10-27	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	47.6	-	-		-
8bgd	1.62 Å	2023-11-08	X-ray	QH0	SARS-CoV-2	NSP5 (3CLpro)		19.14%	24.39%	N/A	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate	(phenylmethyl) ~{N}-[(2~{S})-4-methyl-1-[[(2~{S})-4-nitro-1-[(3~{R})-2-oxidanylidenepyrrolidin-3-yl]butan-2-yl]amino]-1-oxidanylidene-pentan-2-yl]carbamate	XDS	99.40%	21.94	ALBA (XALOC)	REFMAC	2022-10-27	-	-	-	-	-	N/A	-	-	3C-like proteinase nsp5	-	-		No	-	-	41.3	-	-		-
8hes	2.20 Å	2023-11-08	X-ray	NAG	SARS-CoV-2	Spike		19.62%	24.08%	15.20%	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose	XDS	98.15%	7.8	SLS (X06SA)	PHENIX	2022-11-08	37452031	-	-	-	-	N/A	-	-	NIV-10 Fab L-chain; NIV-10 Fab H-chain; Spike protein S1	-	-		No	-		44.2	-	-		-
7tpi	2.30 Å	2023-11-15	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2022-01-25	-	-	-	-	-	N/A	-	-	Spike glycoprotein - Ectodomain	N/A	-		No	-	-	N/A	N/A	N/A		-
8f4p	3.70 Å	2023-11-15	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()	PHENIX	2022-11-11	-	-	-	-	-	N/A	-	-	Anti-S1 Nanobody; Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8ix3	3.98 Å	2023-11-15	Cryo-EM	-	SARS-CoV-2	Spike		N/A	N/A	N/A		-		-	-	()		2023-03-31	37855619	-	-	-	-	N/A	-	-	light chain of 1G11; BA.4/5 variant spike protein; heavy chain of 1G11	N/A	-		No	-		N/A	N/A	N/A		-
8u1t	-	2023-11-15	NMR	-	SARS-CoV-2	Envelope		N/A	N/A	N/A		-		-	-	()		2023-09-02	37914906	-	-	-	-	N/A	-	-	Envelope small membrane protein	N/A	-		No	-		N/A	N/A	N/A		-
8u28	3.10 Å	2023-11-15	Cryo-EM	NAG	SARS-CoV-2	Spike		N/A	N/A	N/A	2-acetamido-2-deoxy-beta-D-glucopyranose	2-acetamido-2-deoxy-beta-D-glucopyranose		-	-	()		2023-09-05	-	-	-	-	-	N/A	-	-	Spike glycoprotein	N/A	-		No	-	-	N/A	N/A	N/A		-
8urb	3.40 Å	2023-11-15	Cryo-EM	-	PEDV	NSP7/NSP8/NSP12		N/A	N/A	N/A	RNA (55-MER); RNA (33-MER)	-		-	-	()		2023-10-25	36993498	ZN	-	-	-	N/A	-	-	RNA (55-MER); RNA (33-MER); nsp7; nsp8; nsp12	N/A	-		No	-		N/A	N/A	N/A	RNA (55-MER); RNA (33-MER)	-

Other resources

https://github.com/thorn-lab/coronavirus_structural_task_force
Andrea Thorn’s group at University of Wurzburg
http://kinemage.biochem.duke.edu/
Jane and David Richardson’s group at Duke University
https://www.globalphasing.com/buster/wiki/index.cgi?Covid19
Gerard Bricogne’s group at Global Phasing
https://zhanglab.ccmb.med.umich.edu/COVID-19/
Yang Zhang’s group at University of Michigan
https://coronavirus3d.org/
Adam Godzik’s group at University of Riverside
https://isolde.cimr.cam.ac.uk/what-isolde/
Tistan Croll group at University of Cambridge
https://www.rcsb.org/news?year=2020&article=5e74d55d2d410731e9944f52&feature=true
Varius links to COVID-19/SARS-CoV-2 Resources from RCSB PDB
https://www.ebi.ac.uk/pdbe/covid-19
Protein Data Bank in Europe COVID-19 website
https://www.covid19dataportal.org/
The European Bioinformatics Institute (EMBL) COVID-19 data portal
https://proteindiffraction.org/search/?q=COVID-19
SARS-CoV-2 raw diffraction data at the Integrated Resource for Reproducibility in Structural Biology

Funding

This work was supported in part by NIGMS grant R01-GM132595 and the Intramural Research Program of the NIH, National Cancer Institute, Center for Cancer Research. We acknowledge support of the National Science Center (NCN, Poland), grant No. 2020/01/0/NZ1/00134. The project was also partly funded by the Polish National Agency for Academic Exchange under Grant No. PPN/BEK/2018/1/00058/U/00001 and by the FWF (Austrian Science Foundation) grant P 32821.

Attributions

Full list of used libraries, fonts, and images is available at the Attributions page.

Citing and contact

If you find this server useful, please cite: Wlodawer et al. (2020) Ligand-centered assessment of SARS-CoV-2 drug target models in the Protein Data Bank, FEBS Journal 287, 3703-3718. or Brzezinski et al. (2021) Covid‐19.bioreproducibility.org: A web resource for SARS‐CoV‐2‐related structural models, Protein Science 30, 115-124. .

The P_Q1 metric was calculated according to Brzezinski et al. (2020) On the evolution of the quality of macromolecular models in the PDB, FEBS Journal 287(13), 2685-2698. Structure alignment to the reference cell was done using ACHESYM: Kowiel et al. (2014) ACHESYM: an algorithm and server for standardized placement of macromolecular models in the unit cell, Acta Cryst. D70, 3290-3298.

The server is under constant development and updated regularly. If you find a bug, have a comment, or want to collaborate, contact us: , , .

Validated SARS-CoV-2 related structural models of potential drug targets

About the corrections - encouragement for redeposition

Structures

Other resources

Funding

Attributions

Citing and contact