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COVID-19特辑

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冠状病毒
冠状病毒，2020. 由David S. Goodsell @ RCSB PDB原图修改

最近爆发的新型冠状病毒传染病（Novel Coronavirus disease 2019: COVID-19）对全世界的人们都构成了严重威胁。 为了尽早了解新病毒（Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2）以开发出有效的抗病毒药物，已经有很多科研人員开始了相关蛋白结构的研究，并且将所获得的结构数据存储于PDB。 PDBj为用户提供了COVID-19相关数据一览的门户页面，并将于每周三更新当日新发布的相关数据。

有关该病毒蛋白质的解说，请参见下面的“当月的分子”页面。

“所有结构”标签的页面则逐一罗列了所有的结构数据，包括由同一研究组提交的系列数据群。 “代表性结构”标签的页面精选具有相同氨基酸序列的结构数据中的高分辨率数据，不重复选择具同一氨基酸序列的数据，即使该数据可能包含不同配体。 “最新条目”标签内包含本周新更新数据。

Created: 2020-09-03 (last edited: more than 1 year ago)2020-12-02
所有结构 (5519)代表性结构 (2329)最新条目 (113)
7IK6
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BU of 7ik6 by Molmil
Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group -- Crystal Structure of SARS-CoV-2 NSP3 Macrodomain in complex with POB0217 (Mac1-x10585)
Descriptor: (2P)-2-[2-(methylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Watt, G, Marples, P.G, Wang, X, Schuller, M, O'Brien, P, Fearon, D, von Delft, F.
Deposit date:2025-08-04
Release date:2025-08-13
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IK7
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BU of 7ik7 by Molmil
Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group -- Crystal Structure of SARS-CoV-2 NSP3 Macrodomain in complex with POB0218 (Mac1-x10586)
Descriptor: (2P)-2-[2-(ethylamino)-1,3-benzothiazol-6-yl]cyclopent-1-ene-1-carboxylic acid, DIMETHYL SULFOXIDE, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Watt, G, Marples, P.G, Wang, X, Schuller, M, O'Brien, P, Fearon, D, von Delft, F.
Deposit date:2025-08-04
Release date:2025-08-13
Method:X-RAY DIFFRACTION (1.229 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IK8
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BU of 7ik8 by Molmil
Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group -- Crystal Structure of SARS-CoV-2 NSP3 Macrodomain in complex with POB0222 (Mac1-x10590)
Descriptor: (2P)-2-(quinolin-7-yl)cyclopent-1-ene-1-carboxylic acid, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Watt, G, Marples, P.G, Shaw, A, Wang, X, Schuller, M, O'Brien, P, Fearon, D, von Delft, F.
Deposit date:2025-08-04
Release date:2025-08-13
Method:X-RAY DIFFRACTION (1.151 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
9J4S
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BU of 9j4s by Molmil
Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors
Descriptor: Beta-2-microglobulin, GLYCEROL, HLA class I histocompatibility antigen, ...
Authors:Yuan, P, Wu, D.C.
Deposit date:2024-08-10
Release date:2025-08-13
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors
To Be Published
9J4T
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BU of 9j4t by Molmil
Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, B alpha chain, ...
Authors:Yuan, P, Wu, D.C.
Deposit date:2024-08-10
Release date:2025-08-13
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors
To Be Published
9J4U
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BU of 9j4u by Molmil
Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors
Descriptor: Beta-2-microglobulin, LLL epitope specific TCR APHLA, LLL epitope specific TCR BETA, ...
Authors:Yuan, P, Wu, D.C.
Deposit date:2024-08-10
Release date:2025-08-13
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors
To Be Published
9J4V
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BU of 9j4v by Molmil
Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors
Descriptor: Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
Authors:Yuan, P, Wu, D.C.
Deposit date:2024-08-10
Release date:2025-08-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for recognition of SARS-CoV-2 conserved nucleocapside epitopes by dominant T cell receptors
To Be Published
9QWI
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BU of 9qwi by Molmil
The N-terminal domain (44-180) of the SARS-CoV-2 nucleocapsid phosphoprotein using an automatic assignment/modeling software
Descriptor: Nucleoprotein
Authors:Schiavina, M, Bolognesi, T, Felli, I.C, Pierattelli, R.
Deposit date:2025-04-14
Release date:2025-08-13
Last modified:2025-09-17
Method:SOLUTION NMR
Cite:NMR insights on multidomain proteins: the case of the SARS-CoV-2 nucleoprotein.
Prog Nucl Magn Reson Spectrosc, 148-149, 2025
9RU5
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BU of 9ru5 by Molmil
Cryo-EM structure of TCRpub/pMHC
Descriptor: MHC class I antigen, ORF3a protein, TCRpub alpha chain, ...
Authors:Akil, C, Zhu, Y, Hardenbrook, N, Zhang, P.
Deposit date:2025-07-03
Release date:2025-08-13
Method:ELECTRON MICROSCOPY (3.26 Å)
Cite:Cryo-EM structure of TCRpub/pMHC
To Be Published
7HC4
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BU of 7hc4 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3367
Descriptor: CHLORIDE ION, Non-structural protein 3, ethyl {4-[(2-oxopyrrolidin-1-yl)amino]-9H-pyrimido[4,5-b]indol-8-yl}carbamate
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-01
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7HC5
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BU of 7hc5 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3765
Descriptor: (5R)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-methylpyrrolidin-2-one, CHLORIDE ION, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-01
Release date:2025-08-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7HC6
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BU of 7hc6 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3764
Descriptor: (5S)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-methylpyrrolidin-2-one, CHLORIDE ION, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-01
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7HC7
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BU of 7hc7 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-4051
Descriptor: CHLORIDE ION, N-cyclopropyl-N'-{4-[(2-oxopyrrolidin-1-yl)amino]-9H-pyrimido[4,5-b]indol-8-yl}urea, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-01
Release date:2025-08-20
Method:X-RAY DIFFRACTION (0.99 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7HC8
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BU of 7hc8 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3763
Descriptor: (5S)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-01
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7HC9
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BU of 7hc9 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-3762
Descriptor: (5R)-1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5-phenylpyrrolidin-2-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-01
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7HCA
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BU of 7hca by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-4636
Descriptor: 1-[(7-fluoro-9H-pyrimido[4,5-b]indol-4-yl)amino]-5,5-dimethylpyrrolidin-2-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-08-01
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Ligand screen against SARS-CoV-2 NSP3 macrodomain
To be published
7HHS
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BU of 7hhs by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000411
Descriptor: 1-({6-[(1H-indazol-5-yl)amino]pyrimidin-4-yl}amino)pyrrolidin-2-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-09-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Elife, 14, 2025
7HHT
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BU of 7hht by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000372
Descriptor: 1-{[(5P)-5-(3-fluoropyridin-2-yl)pyrimidin-4-yl]amino}pyrrolidin-2-one, BROMIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-09-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Elife, 14, 2025
7HHU
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BU of 7hhu by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000528
Descriptor: (3R)-3-(2,4-difluorophenyl)-3-[(6,7-dihydro-5H-cyclopenta[c]pyridine-4-carbonyl)amino]propanoic acid, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-09-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Elife, 14, 2025
7HHV
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BU of 7hhv by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000527
Descriptor: (3R)-3-(2,4-difluorophenyl)-3-{[(4R)-[1,2,4]triazolo[1,5-a]pyridine-5-carbonyl]amino}propanoic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-09-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.02 Å)
Cite:Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Elife, 14, 2025
7HHW
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BU of 7hhw by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000724
Descriptor: (5S)-1-[(5-iodo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-(thiophen-2-yl)pyrrolidin-2-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-09-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Elife, 14, 2025
7HHX
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BU of 7hhx by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000729
Descriptor: 4-{[(5S)-2-oxo-5-(thiophen-2-yl)pyrrolidin-1-yl]amino}-7H-pyrrolo[2,3-d]pyrimidine-5-carboxamide, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-09-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Elife, 14, 2025
7HHY
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BU of 7hhy by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000700
Descriptor: (5S)-1-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-09-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Elife, 14, 2025
7HHZ
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BU of 7hhz by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000703
Descriptor: (5S)-1-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-phenylpyrrolidin-2-one, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-09-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1.01 Å)
Cite:Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Elife, 14, 2025
7HI0
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BU of 7hi0 by Molmil
PanDDA analysis group deposition -- Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-0000708
Descriptor: (5S)-1-[(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-5-methylpyrrolidin-2-one, CHLORIDE ION, Non-structural protein 3
Authors:Correy, G.J, Fraser, J.S.
Deposit date:2024-09-16
Release date:2025-08-20
Method:X-RAY DIFFRACTION (1 Å)
Cite:Expanding automated multiconformer ligand modeling to macrocycles and fragments.
Elife, 14, 2025

243531

数据于2025-10-22公开中

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