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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)
8CAE
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BU of 8cae by Molmil
Crystal structure of SARS-CoV-2 Mpro-H172Y mutant in complex with nirmatrelvir
Descriptor: (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, Non-structural protein 11
Authors:El Kilani, H, Hilgenfeld, R.
Deposit date:2023-01-24
Release date:2025-08-06
Last modified:2025-09-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:13b-K and Nirmatrelvir Resistance Mutations of SARS-CoV-2 Main Protease: Structural, Biochemical, and Biophysical Characterization of Free Enzymes and Inhibitor Complexes
Crystals, 15, 2025
9F13
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BU of 9f13 by Molmil
Crystal structure of HLA-C*12:02 in complex with KAYNVTQAF (KF9), a 9-mer epitope from SARS-CoV-2 Nucleocapsid (N266-274)
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen C alpha chain, Nucleoprotein
Authors:Ahn, Y.M, Maddumage, J.C, Chatzileontiadou, D.S.M, Gras, S.
Deposit date:2024-04-18
Release date:2025-08-06
Last modified:2025-09-10
Method:X-RAY DIFFRACTION (1.61 Å)
Cite:Molecular basis of potent antiviral HLA-C-restricted CD8 + T cell response to an immunodominant SARS-CoV-2 nucleocapsid epitope.
Nat Commun, 16, 2025
9HLJ
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BU of 9hlj by Molmil
Crystal structure of GV37-TCR in complex with HLA-C*12:02 with KAYNVTQAF (KF9), a 9-mer epitope from SARS-CoV-2 Nucleocapsid (N266-274)
Descriptor: 1,2-ETHANEDIOL, Beta-2-microglobulin, GV37-TCR alpha chain, ...
Authors:Ahn, Y.M, Maddumage, J.C, Chatzileontiadou, D.S.M, Gras, S.
Deposit date:2024-12-05
Release date:2025-08-06
Last modified:2025-09-10
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular basis of potent antiviral HLA-C-restricted CD8 + T cell response to an immunodominant SARS-CoV-2 nucleocapsid epitope.
Nat Commun, 16, 2025
9JRC
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BU of 9jrc by Molmil
Crystal structure of SARS-CoV-2 receptor-binding domain complexed with squirrel ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, ...
Authors:Lan, J, Nan, X.
Deposit date:2024-09-29
Release date:2025-08-06
Last modified:2025-10-15
Method:X-RAY DIFFRACTION (3.16 Å)
Cite:Cross-species recognition of squirrel ACE2 by the receptor binding domains of SARS-CoV-2, RaTG13, PCoV-GD and PCoV-GX.
Structure, 33, 2025
9KUD
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BU of 9kud by Molmil
Crystal structure of SARS-CoV-2 JN.1 variant RBD complexed with squirrel ACE2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike protein S1, ...
Authors:Lan, J, Wang, C.H.
Deposit date:2024-12-03
Release date:2025-08-06
Last modified:2025-10-22
Method:X-RAY DIFFRACTION (3.14 Å)
Cite:Cross-species recognition of squirrel ACE2 by the receptor binding domains of SARS-CoV-2, RaTG13, PCoV-GD and PCoV-GX.
Structure, 33, 2025
9M2V
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BU of 9m2v by Molmil
Crystal Structure of the SARS-CoV-2 (COVID-19) main protease with inhibitor MC12
Descriptor: 3C-like proteinase nsp5, [2-[methyl(phenyl)amino]-1,3-thiazol-4-yl]methanol
Authors:Yin, W, Kong, W.P, Wong, K.Y.
Deposit date:2025-02-28
Release date:2025-08-06
Method:X-RAY DIFFRACTION (1.967 Å)
Cite:Structure-activity relationship studies of thiazole-based derivatives leading to the identification of novel and potent SARS-CoV-2 main protease inhibitors.
Eur.J.Med.Chem., 297, 2025
7IJN
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BU of 7ijn 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 POB175 (Mac1-x10181)
Descriptor: (1R,2S)-2-(1H-indazol-4-yl)cyclopentane-1-carboxylic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:Aschenbrenner, J.C, Watt, G, Marples, P.G, Donald, J.R, Schuller, M, O'Brien, P, Fearon, D, von Delft, F.
Deposit date:2025-08-04
Release date:2025-08-13
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJO
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BU of 7ijo 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 POB177 (Mac1-x10183)
Descriptor: (1R,2S)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid, Non-structural protein 3
Authors:Aschenbrenner, J.C, Watt, G, Marples, P.G, Donald, J.R, Schuller, M, O'Brien, P, Fearon, D, von Delft, F.
Deposit date:2025-08-04
Release date:2025-08-13
Method:X-RAY DIFFRACTION (1.181 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJP
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BU of 7ijp 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 POB179 (Mac1-x10184)
Descriptor: (1R,2S)-2-(1-methyl-1H-1,3-benzimidazol-6-yl)cyclopentane-1-carboxylic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:Aschenbrenner, J.C, Watt, G, Marples, P.G, Donald, J.R, Schuller, M, O'Brien, P, Fearon, D, von Delft, F.
Deposit date:2025-08-04
Release date:2025-08-13
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJQ
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BU of 7ijq 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 POB176 (Mac1-x10199)
Descriptor: (1R,2S)-2-(1,3-benzoxazol-5-yl)cyclopentane-1-carboxylic acid, Non-structural protein 3
Authors:Aschenbrenner, J.C, Watt, G, Marples, P.G, Donald, J.R, Schuller, M, O'Brien, P, Fearon, D, von Delft, F.
Deposit date:2025-08-04
Release date:2025-08-13
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJR
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BU of 7ijr 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 POB0208 (Mac1-x10313)
Descriptor: (1R,2R)-2-(isoquinolin-6-yl)cyclopentane-1-carboxylic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
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 (1.206 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJS
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BU of 7ijs 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 POB0209 (Mac1-x10314)
Descriptor: (1R,2R)-2-(1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
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 (1.16 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJT
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BU of 7ijt 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 POB0185 (Mac1-x10331)
Descriptor: (2P)-2-(1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid, DIMETHYL SULFOXIDE, Non-structural protein 3
Authors:Aschenbrenner, J.C, Watt, G, Marples, P.G, Donald, J.R, Butler, W.T.W, 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 (1.145 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJU
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BU of 7iju 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 POB0206 (Mac1-x10390)
Descriptor: (2P)-2-(isoquinolin-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 (1.295 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJV
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BU of 7ijv 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 POB0207 (Mac1-x10395)
Descriptor: (2M)-2-(quinoxalin-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 (1.27 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJW
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BU of 7ijw 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 POB0208 (Mac1-x10399)
Descriptor: (1R,2R)-2-(isoquinolin-6-yl)cyclopentane-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 (1.607 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJX
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BU of 7ijx 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 POB0209 (Mac1-x10400)
Descriptor: (1R,2R)-2-(1,3-benzothiazol-6-yl)cyclopentane-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 (1.381 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJY
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BU of 7ijy 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 POB0185 (Mac1-x10407)
Descriptor: (2P)-2-(1,3-benzothiazol-6-yl)cyclopent-1-ene-1-carboxylic acid, Papain-like protease nsp3
Authors:Aschenbrenner, J.C, Watt, G, Marples, P.G, Donald, J.R, Butler, W.T.W, 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 (1.481 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IJZ
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BU of 7ijz 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 POB0221 (Mac1-x10516)
Descriptor: (2P)-2-(quinolin-6-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 (1.32 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IK0
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BU of 7ik0 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 POB0211 (Mac1-x10525)
Descriptor: (1R,2R)-2-(quinoxalin-6-yl)cyclopentane-1-carboxylic acid, GLYCEROL, 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 (1.369 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IK1
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BU of 7ik1 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 POB0215 (Mac1-x10529)
Descriptor: (1R,2R)-2-(2-amino-1,3-benzothiazol-6-yl)cyclopentane-1-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC 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 (1.34 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IK2
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BU of 7ik2 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 POB0228 (Mac1-x10558)
Descriptor: (2P)-2-(2-carbamamido-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 (1.151 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IK3
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BU of 7ik3 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 POB0212 (Mac1-x10580)
Descriptor: (1R,2R)-2-(quinolin-6-yl)cyclopentane-1-carboxylic acid, 2-(N-MORPHOLINO)-ETHANESULFONIC 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 (1.298 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IK4
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BU of 7ik4 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 POB0213 (Mac1-x10581)
Descriptor: (1R,2R)-2-(quinolin-7-yl)cyclopentane-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 (1.15 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published
7IK5
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BU of 7ik5 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 POB0216 (Mac1-x10584)
Descriptor: (2P)-2-(2-amino-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 (1.199 Å)
Cite:Group deposition of SARS-CoV-2 NSP3 Macrodomain in complex with inhibitors from the O'Brien group
To Be Published

243531

数据于2025-10-22公开中

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