Current Protein Identity:P0C6X7 New Search
Main Difference Dimensions in This Set
Different construct Different mutation/modification Different assembly state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics

Difference tags compare only the current result set; every original PDB and assembly record remains separate.

Related-Structure Differences

Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.

PDB Entry Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Experimental Method Experimental Conditions Structure Quality
1UK4 Crystal structure of SARS Coronavirus Main Proteinase (3CLpro) Complexed With An Inhibitor Deposited 2003-08-14 Assembly 1 Protein heterocomplex Heteromer;Protein × 5 PDB declaration: pentameric(5) Consistent with protein count
Chain A 3241–3546(306 aa)
Chain B 3241–3546(306 aa)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6;291 K;PEG 6000, MES, DMSO, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 291K
Resolution 2.50 Å R-free 0.231
2XYQ Crystal structure of the nsp16 nsp10 SARS coronavirus complex Deposited 2010-11-18 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 6776–7065(290 aa) Fragment:RESIDUES 6776-7065
Chain B 4240–4361(122 aa) Fragment:RESIDUES 4240-4361
Not recorded CL CHLORIDE ION × 2 SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 NA SODIUM ION × 2 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9;0.1M CHES, 1.52M MGCL2, pH 9
Resolution 2.00 Å R-free 0.227
2XYR Crystal structure of the nsp16 nsp10 SARS coronavirus complex Deposited 2010-11-18 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 6776–7067(292 aa) Fragment:RESIDUES 6776-7067
Chain B 4240–4361(122 aa) Fragment:RESIDUES 4240-4361
Not recorded NA SODIUM ION × 1 CL CHLORIDE ION × 5 SFG SINEFUNGIN × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 9;0.1M CHES, 1.52M MGCL2, pH 9
Resolution 2.50 Å R-free 0.235
2XYV Crystal structure of the nsp16 nsp10 SARS coronavirus complex Deposited 2010-11-19 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 6776–7067(292 aa) Fragment:RESIDUES 6776-7065
Chain B 4240–4361(122 aa) Fragment:RESIDUES 4240-4361
Mutation:YES NA SODIUM ION × 3 CL CHLORIDE ION × 5 SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 MG MAGNESIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions pH 8.5;67 MM M CHES, 0.99 M MGCL2-HEXAYDRATE, 33 MM TRIS-HCL, 8.3% (V/V) PEG 8000, FROZEN IN THE PRESENCE OF 15% (V/V) GLYCEROL, pH 8.5
Resolution 2.06 Å R-free 0.234
3EBN A Special Dimerization of SARS-CoV Main Protease C-Terminal Domain Due to Domain-swapping Deposited 2008-08-28 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3429–3546(118 aa) Fragment:UNP residues 3429-3546
Chain C 3429–3546(118 aa) Fragment:UNP residues 3429-3546
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 5.5;289 K;25% PEG3350, pH5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 2.40 Å R-free 0.243
3EBN A Special Dimerization of SARS-CoV Main Protease C-Terminal Domain Due to Domain-swapping Deposited 2008-08-28 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain B 3429–3546(118 aa) Fragment:UNP residues 3429-3546
Chain D 3429–3546(118 aa) Fragment:UNP residues 3429-3546
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 5.5;289 K;25% PEG3350, pH5.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K
Resolution 2.40 Å R-free 0.243
3R24 Crystal structure of nsp10/nsp16 complex of SARS coronavirus Deposited 2011-03-13 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 6776–7073(298 aa)
Not recorded SAM S-ADENOSYLMETHIONINE × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 5;293 K;2.0M NaCl, 0.1M NaH2PO4, 0.1M K2HPO4, 0.1M MES, pH5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.00 Å R-free 0.222
4TWW Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor Deposited 2014-07-02 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3546(306 aa)
Chain B 3241–3546(306 aa)
Not recorded 3A7 (2S)-2-({[(3S,4aR,8aS)-2-(4-bromobenzoyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;9-11%(w/v) of PEG20000, 100mM MES, 5mM DTT
Resolution 2.42 Å R-free 0.261
4TWY Structure of SARS-3CL protease complex with a phenylbenzoyl (S,R)-N-decalin type inhibitor Deposited 2014-07-02 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3546(306 aa)
Not recorded 3BL (2S)-2-({[(3S,4aR,8aS)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;10%(w/v) of PEG20000, 100mM MES, 5mM DTT
Resolution 1.60 Å R-free 0.319
4WY3 Structure of SARS-3CL protease complex with a phenylbenzoyl (R,S)-N-decalin type inhibitor Deposited 2014-11-15 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 3241–3546(306 aa)
Not recorded 3X5 (2S)-2-({[(3R,4aS,8aR)-2-(biphenyl-4-ylcarbonyl)decahydroisoquinolin-3-yl]methyl}amino)-3-(1H-imidazol-5-yl)propanal × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;10%(w/v) PEG20000, 100mM MES, 5 mM DTT
Resolution 1.89 Å R-free 0.299
5B6O Crystal structure of MS8104 Deposited 2016-05-31 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3556(316 aa)
Chain B 3241–3556(316 aa)
Mutation:C145A Mutation:C145A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7.3;293 K;Sodium Chloride, PEG 4000 , pH 7.3, temperature 293K
Resolution 2.20 Å R-free 0.254
5C5N Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (R,S)-N-decalin type inhibitor Deposited 2015-06-21 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 3241–3546(306 aa)
Mutation:R188I SLH (2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;10%(w/v) of PEG20000, 100mM MES, 5mM DTT
Resolution 1.69 Å R-free 0.321
5C5N Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (R,S)-N-decalin type inhibitor Deposited 2015-06-21 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3546(306 aa)
Mutation:R188I SLH (2S)-3-(1H-imidazol-5-yl)-2-({[(3R,4aS,8aR)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;10%(w/v) of PEG20000, 100mM MES, 5mM DTT
Resolution 1.69 Å R-free 0.321
5C5O Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor Deposited 2015-06-21 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 3241–3546(306 aa)
Mutation:R188I SDJ (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;10% (w/v) PEG 20000, 100mM MES, 5mM DTT
Resolution 1.50 Å R-free 0.271
5C5O Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor Deposited 2015-06-21 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 3241–3546(306 aa)
Mutation:R188I SDJ (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;10% (w/v) PEG 20000, 100mM MES, 5mM DTT
Resolution 1.50 Å R-free 0.271
5C5O Structure of SARS-3CL protease complex with a phenyl-beta-alanyl (S,R)-N-decalin type inhibitor Deposited 2015-06-21 Assembly 3 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3546(306 aa)
Chain B 3241–3546(306 aa)
Mutation:R188I Mutation:R188I SDJ (2S)-3-(1H-imidazol-5-yl)-2-({[(3S,4aR,8aS)-2-(N-phenyl-beta-alanyl)decahydroisoquinolin-3-yl]methyl}amino)propanal × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;10% (w/v) PEG 20000, 100mM MES, 5mM DTT
Resolution 1.50 Å R-free 0.271
5C8S Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligands SAH and GpppA Deposited 2015-06-26 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 4231–4369(139 aa)
Chain B 5903–6429(527 aa)
Not recorded ZN ZINC ION × 5 MG MAGNESIUM ION × 1 SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 G3A GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7;289 K;15% (v/v) tacsimate pH 7.0, 0.1 M HEPES pH 7.0, and 2% (w/v) polyethylene glycol 3350
Resolution 3.33 Å R-free 0.259
5C8S Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligands SAH and GpppA Deposited 2015-06-26 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain C 4231–4369(139 aa)
Chain D 5903–6429(527 aa)
Not recorded ZN ZINC ION × 5 MG MAGNESIUM ION × 1 SAH S-ADENOSYL-L-HOMOCYSTEINE × 1 G3A GUANOSINE-P3-ADENOSINE-5',5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 7;289 K;15% (v/v) tacsimate pH 7.0, 0.1 M HEPES pH 7.0, and 2% (w/v) polyethylene glycol 3350
Resolution 3.33 Å R-free 0.259
5C8T Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligand SAM Deposited 2015-06-26 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 4231–4369(139 aa)
Chain B 5903–6429(527 aa)
Not recorded ZN ZINC ION × 5 MG MAGNESIUM ION × 1 SAM S-ADENOSYLMETHIONINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;289 K;15% (v/v) tacsimate pH 7.0, 0.1 M HEPES pH 7.0, and 2% (w/v) polyethylene glycol 3,350
Resolution 3.20 Å R-free 0.265
5C8T Crystal structure of the SARS coronavirus nsp14-nsp10 complex with functional ligand SAM Deposited 2015-06-26 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain C 4231–4369(139 aa)
Chain D 5903–6429(527 aa)
Not recorded ZN ZINC ION × 5 MG MAGNESIUM ION × 1 SAM S-ADENOSYLMETHIONINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;289 K;15% (v/v) tacsimate pH 7.0, 0.1 M HEPES pH 7.0, and 2% (w/v) polyethylene glycol 3,350
Resolution 3.20 Å R-free 0.265
5C8U Crystal structure of the SARS coronavirus nsp14-nsp10 complex Deposited 2015-06-26 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 4231–4369(139 aa)
Chain B 5903–6429(527 aa)
Not recorded ZN ZINC ION × 5 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;289 K;15% (v/v) tacsimate pH 7.0, 0.1 M HEPES pH 7.0, 2% (w/v) polyethylene glycol 3350
Resolution 3.40 Å R-free 0.266
5C8U Crystal structure of the SARS coronavirus nsp14-nsp10 complex Deposited 2015-06-26 Assembly 2 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain C 4231–4369(139 aa)
Chain D 5903–6429(527 aa)
Not recorded ZN ZINC ION × 5 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;289 K;15% (v/v) tacsimate pH 7.0, 0.1 M HEPES pH 7.0, 2% (w/v) polyethylene glycol 3350
Resolution 3.40 Å R-free 0.266
5E6J Structure of SARS PLpro bound to a Lys48-linked di-ubiquitin activity based probe Deposited 2015-10-09 Assembly 1 Protein heterocomplex Heteromer;Protein × 3 PDB declaration: trimeric(3) Consistent with protein count
Chain A 1541–1856(316 aa) Fragment:UNP Residues 1541-1856
Not recorded ACT ACETATE ION × 1 NI NICKEL (II) ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 5.5;285 K;0.1 M MES, 0.1 M lithium acetate, 17% PEG 6000
Resolution 2.85 Å R-free 0.264
5E6J Structure of SARS PLpro bound to a Lys48-linked di-ubiquitin activity based probe Deposited 2015-10-09 Assembly 2 Protein heterocomplex Heteromer;Protein × 3 PDB declaration: trimeric(3) Consistent with protein count
Chain D 1541–1856(316 aa) Fragment:UNP Residues 1541-1856
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 5.5;285 K;0.1 M MES, 0.1 M lithium acetate, 17% PEG 6000
Resolution 2.85 Å R-free 0.264
5F22 C-terminal domain of SARS-CoV nsp8 complex with nsp7 Deposited 2015-12-01 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain B 3989–4117(129 aa) Fragment:UNP residues 3989-4117
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;289 K;0.2M magnesium acetate, PEG 3350
Resolution 2.15 Å R-free 0.252
5N19 Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide Deposited 2017-02-05 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3546(306 aa)
Not recorded D03 (S)-N-benzyl-3-((S)-2-cinnamamido-3-phenylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide × 2 DMS DIMETHYL SULFOXIDE × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;6 - 8% polyethylene glycol 6000, 0.1 M MES, pH 6.0
Resolution 1.62 Å R-free 0.200
5N5O Structure of SARS coronavirus main protease in complex with the alpha-ketoamide (S)-N-benzyl-3-((S)-2-cinnamamido-3-cyclopropylpropanamido)-2-oxo-4-((S)-2-oxopyrrolidin-3-yl)butanamide (Cinnamoyl-cyclopropylalanine-GlnLactam-CO-CO-NH-benzyl) Deposited 2017-02-14 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3546(306 aa)
Not recorded 8O5 (2~{R},3~{S})-3-[[(2~{S})-3-cyclopropyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]-2-oxidanyl-4-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]-~{N}-(phenylmethyl)butanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;pH 6;293 K;6 - 8% polyethylene glycol 6000, 0.1 M MES, pH 6.0
Resolution 2.00 Å R-free 0.252
5TL6 Crystal structure of SARS-CoV papain-like protease in complex with the C-terminal domain of human ISG15 Deposited 2016-10-10 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain B 1541–1855(315 aa) Fragment:UNP residues 1541-1855
Not recorded ZN ZINC ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;0.1 M lithium sulfate, 0.1 M Bis-tris [pH 6.5], 22% PEG 3350, supplemented with 30% (v/v) glycerol additive in a 1:5 dilution
Resolution 2.62 Å R-free 0.250
5TL6 Crystal structure of SARS-CoV papain-like protease in complex with the C-terminal domain of human ISG15 Deposited 2016-10-10 Assembly 2 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain D 1541–1855(315 aa) Fragment:UNP residues 1541-1855
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;0.1 M lithium sulfate, 0.1 M Bis-tris [pH 6.5], 22% PEG 3350, supplemented with 30% (v/v) glycerol additive in a 1:5 dilution
Resolution 2.62 Å R-free 0.250
5TL7 Crystal structure of SARS-CoV papain-like protease in complex with C-terminal domain mouse ISG15 Deposited 2016-10-10 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain B 1541–1855(315 aa) Fragment:UNP residues 1541-1855
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8;293 K;65% (v/v) MPD, 0.1 M Tris [pH 8.0], supplemented with 30% (w/v) Trimethylamine N-oxide dihydrate additive in a 1:5 dilution
Resolution 2.44 Å R-free 0.267
5TL7 Crystal structure of SARS-CoV papain-like protease in complex with C-terminal domain mouse ISG15 Deposited 2016-10-10 Assembly 2 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain D 1541–1855(315 aa) Fragment:UNP residues 1541-1855
Not recorded ZN ZINC ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8;293 K;65% (v/v) MPD, 0.1 M Tris [pH 8.0], supplemented with 30% (w/v) Trimethylamine N-oxide dihydrate additive in a 1:5 dilution
Resolution 2.44 Å R-free 0.267
6JYT Delicate structural coordination of the Severe Acute Respiratory Syndrome coronavirus Nsp13 upon ATP hydrolysis Deposited 2019-04-28 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 5302–5902(601 aa)
Non-standard monomer:Yes (specific site not provided by mmCIF) ZN ZINC ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;289 K;12% w/v polyethylene glycol 20000, 2M ammonium sulfate, 0.1M MES monohydrate pH 6.5
Resolution 2.80 Å R-free 0.292
6JYT Delicate structural coordination of the Severe Acute Respiratory Syndrome coronavirus Nsp13 upon ATP hydrolysis Deposited 2019-04-28 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 5302–5902(601 aa)
Non-standard monomer:Yes (specific site not provided by mmCIF) ZN ZINC ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 6.5;289 K;12% w/v polyethylene glycol 20000, 2M ammonium sulfate, 0.1M MES monohydrate pH 6.5
Resolution 2.80 Å R-free 0.292
6NUR SARS-Coronavirus NSP12 bound to NSP7 and NSP8 co-factors Deposited 2019-02-01 Assembly 1 Protein heterocomplex Heteromer;Protein × 4 PDB declaration: tetrameric(4) Consistent with protein count
Chain A 4370–5300(931 aa) Fragment:UNP residues 4370-5300
Chain C 3837–3919(83 aa) Fragment:UNP residues 3837-3919
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4;n-dodecyl-beta-D-maltopyranoside was added just prior to spotting samples onto holey EM grids.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.10 Å
6NUS SARS-Coronavirus NSP12 bound to NSP8 co-factor Deposited 2019-02-01 Assembly 1 Protein heterocomplex Heteromer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 4370–5300(931 aa) Fragment:UNP residues 4370-5300
Not recorded ZN ZINC ION × 2 ELECTRON MICROSCOPY
cryo-EM buffer pH 7.4;n-dodecyl-beta-D-maltopyranoside was added just prior to spotting samples onto holey EM grids.
cryo-EM vitrification conditions Cryogen ETHANE
Resolution 3.50 Å
7LCP N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease Deposited 2021-01-11 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3546(306 aa)
Not recorded UED N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide × 2 EDO 1,2-ETHANEDIOL × 2 CA CALCIUM ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION;pH 6;295 K;7% PEG 8000, 1 mM MES pH 6.0, 1mM DTT, 3% ethylene glycol and 3% DMSO
Resolution 1.90 Å R-free 0.221
7LCQ N-terminal finger stabilizes feline drug GC376 in coronavirus 3CL protease Deposited 2021-01-11 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3546(306 aa)
Not recorded EDO 1,2-ETHANEDIOL × 4 UED N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION;pH 6;295 K;7% PEG 8000, 1 mM MES pH 6.0, 1mM DTT, 3% ethylene glycol and 3% DMSO
Resolution 2.15 Å R-free 0.223
8C0G SARS-CoV nsp16-nsp10 complexed with N7-GTP Deposited 2022-12-16 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 6776–7067(292 aa)
Chain B 4240–4361(122 aa)
Not recorded PEG DI(HYDROXYETHYL)ETHER × 2 SRC [[(2~{R},3~{S},5~{R})-5-(2-azanyl-7-methyl-6-oxidanylidene-1,8-dihydropurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate × 1 NA SODIUM ION × 1 ZN ZINC ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;pH 8.5;293.15 K;67 MM M CHES, 0.99 M MGCL2-HEXAYDRATE, 33 MM TRIS-HCL, 8.3% (V/V) PEG 8000
Resolution 1.88 Å R-free 0.263
8CB3 SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid Deposited 2023-01-25 Assembly 1 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain A 1000–1173(174 aa)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;293.15 K;0.1 M Imidazole, 0.9 M NaCitrate, pH 7.9 0.2 M MOPS
Resolution 1.57 Å R-free 0.203
8CB3 SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid Deposited 2023-01-25 Assembly 2 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain B 1000–1173(174 aa)
Not recorded MPO 3[N-MORPHOLINO]PROPANE SULFONIC ACID × 1 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;293.15 K;0.1 M Imidazole, 0.9 M NaCitrate, pH 7.9 0.2 M MOPS
Resolution 1.57 Å R-free 0.203
8CB3 SARS-CoV Macro domain complexed with 3-(N-morpholino)propanesulfonic acid Deposited 2023-01-25 Assembly 3 Protein monomer Monomer;Protein × 1 PDB declaration: monomeric(1) Consistent with protein count
Chain C 1000–1173(174 aa)
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;293.15 K;0.1 M Imidazole, 0.9 M NaCitrate, pH 7.9 0.2 M MOPS
Resolution 1.57 Å R-free 0.203
8YKK Crystal structure of SARS main protease in complex with X77 Deposited 2024-03-05 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3242–3539(298 aa)
Not recorded X77 N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;293 K;0.1M Hepes pH7.5, 10% PEG8000, 8% Ethylene glycol
Resolution 2.30 Å R-free 0.248
9LZQ Crystal structure of SARS main protease in complex with Ibuzatrelvir Pomotrelvir Deposited 2025-02-22 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3242–3540(299 aa)
Chain B 3242–3540(299 aa)
Not recorded ZQB Pomotrelvir bound form × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP;298 K;0.1M Hepes pH7.5, 10% PEG8000, 8% Ethylene glycol
Resolution 2.05 Å R-free 0.248
9MBV Crystal structure of SARS main protease complex with CCF0058981 Deposited 2025-03-17 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3242–3540(299 aa)
Chain B 3242–3540(299 aa)
Not recorded XIU 2-(benzotriazol-1-yl)-~{N}-[(3-chlorophenyl)methyl]-~{N}-[4-(1~{H}-imidazol-5-yl)phenyl]ethanamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;298 K;0.12M-0.21M Na2SO4, 20%-24% PEG3350
Resolution 1.94 Å R-free 0.244
9XG4 The crystal structure of SARS-CoV-1 Main protease in complex with inhibitor FD2-21 Deposited 2025-10-29 Assembly 1 Protein homooligomer Homooligomer;Protein × 2 PDB declaration: dimeric(2) Consistent with protein count
Chain A 3241–3546(306 aa)
Not recorded A1EZ7 7-(5-azanylpyridin-3-yl)-2-(2-chlorophenyl)-5,7-diazaspiro[3.4]octane-6,8-dione × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP;289.15 K;1.1 M Ammonium tartrate dibasic pH 7.0
Resolution 1.73 Å R-free 0.218