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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
8ZC1
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BU of 8zc1 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region
Descriptor: Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, Spike protein S1
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.17 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC3
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BU of 8zc3 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (1 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (4.69 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC4
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BU of 8zc4 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with 3 D1F6 Fabs (2 RBD up)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.95 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC5
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BU of 8zc5 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, focused refinement of RBD region
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.91 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8C2R
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BU of 8c2r by Molmil
SARS-CoV2 Omicron BA.1 spike in complex with CAB-A17 antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CAB-A17 antibody (HC), ...
Authors:Das, H, Hallberg, B.M.
Deposit date:2022-12-22
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:SARS-CoV-2 omicron Spike (RBD) in complex with CAB-A17 antibody
To Be Published
8JVA
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BU of 8jva by Molmil
Cryo-EM structure of the N-terminal domain of Omicron BA.1 in complex with nanobody N235 and S2L20 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, S2L20 heavy chain, S2L20 light chain, ...
Authors:Liu, B, Liu, H.H, Han, P, Qi, J.X.
Deposit date:2023-06-28
Release date:2024-05-22
Method:ELECTRON MICROSCOPY (2.81 Å)
Cite:Enhanced potency of an IgM-like nanobody targeting conserved epitope in SARS-CoV-2 spike N-terminal domain.
Signal Transduct Target Ther, 9, 2024
8SWH
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BU of 8swh by Molmil
Local refinement of SARS-CoV-2 (HP-GSAS-Mut7) spike NTD in complex with TXG-0078 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, TXG-0078 Fab Heavy chain, ...
Authors:Bangaru, B, Ward, A.
Deposit date:2023-05-18
Release date:2024-05-22
Last modified:2024-06-26
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:Deep repertoire mining uncovers ultra-broad coronavirus neutralizing antibodies targeting multiple spike epitopes.
Cell Rep, 43, 2024
8JIN
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BU of 8jin by Molmil
The local refined map of XBB spike protein (S) in complex with bispecific antibody G7-Fc
Descriptor: 7F3 Fv, GW01 Fv, Spike glycoprotein
Authors:Ma, Y, Mao, Q, Wang, Y, Zhang, Z.
Deposit date:2023-05-27
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (2.45 Å)
Cite:Structure of XBB spike protein (S) di-trimer in complex with bispecific antibody G7-Fc at 3.75 Angstroms resolution.
To Be Published
8JIO
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BU of 8jio by Molmil
XBB spike protein (S) in complex with monoclonal antibody 6I18
Descriptor: 6I18 heavy chain, 6I18 light chain, Spike glycoprotein
Authors:Ma, Y, Mao, Q, Wang, Y, Zhang, Z.
Deposit date:2023-05-27
Release date:2024-05-29
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structure of XBB spike protein (S) in complex with monoclonal antibody 6I18 at 3.30 Angstroms resolution.
To Be Published
8RJZ
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BU of 8rjz by Molmil
Crystal structure of SARS-CoV-2 main protease (MPro) in complex with the non-covalent inhibitor GUE-3801 (compound 80 in publication)
Descriptor: (7~{S})-6-[2-[2,4-bis(chloranyl)phenoxy]ethanoyl]-14-fluoranyl-10-(iminomethyl)-9-methyl-7-(phenylmethyl)-2-oxa-6,9,10-triazabicyclo[10.4.0]hexadeca-1(12),13,15-trien-8-one, 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3C-like proteinase nsp5, ...
Authors:Strater, N, Claff, T, Sylvester, K, Mueller, C.E, Guetschow, M, Useini, A.
Deposit date:2023-12-22
Release date:2024-05-29
Last modified:2024-06-19
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Macrocyclic Azapeptide Nitriles: Structure-Based Discovery of Potent SARS-CoV-2 Main Protease Inhibitors as Antiviral Drugs.
J.Med.Chem., 67, 2024
8V7T
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BU of 8v7t by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-199)
Descriptor: Non-structural protein 7
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-12-04
Release date:2024-05-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease.
J.Mol.Biol., 436, 2024
8V7W
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BU of 8v7w by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain C145A precursor, residues nsp4(-6)-1-199-6H
Descriptor: Replicase polyprotein 1ab
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-12-04
Release date:2024-05-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease.
J.Mol.Biol., 436, 2024
8V8E
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BU of 8v8e by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-199-6H) in complex with ensitrelvir (ESV)
Descriptor: 3C-like proteinase nsp5, 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, peptide
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-12-05
Release date:2024-05-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2 Å)
Cite:Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease.
J.Mol.Biol., 436, 2024
8V8G
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BU of 8v8g by Molmil
Room-temperature X-ray structure of SARS-CoV-2 main protease catalytic domain (residues 1-196) in complex with ensitrelvir (ESV)
Descriptor: 3C-like proteinase nsp5, 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
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-12-05
Release date:2024-05-29
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Visualizing the Active Site Oxyanion Loop Transition Upon Ensitrelvir Binding and Transient Dimerization of SARS-CoV-2 Main Protease.
J.Mol.Biol., 436, 2024
8ZC2
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BU of 8zc2 by Molmil
SARS-CoV-2 Omicron BA.2 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (7.82 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8ZC6
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BU of 8zc6 by Molmil
SARS-CoV-2 Omicron BA.4 spike trimer (6P) in complex with D1F6 Fab, head-to-head aggregate
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of D1F6 Fab, Light chain of D1F6 Fab, ...
Authors:Liu, B, Gao, X, Li, Z, Chen, Q, He, J, Xiong, X.
Deposit date:2024-04-28
Release date:2024-05-29
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (6.85 Å)
Cite:An unconventional VH1-2 antibody tolerates escape mutations and shows an antigenic hotspot on SARS-CoV-2 spike.
Cell Rep, 43, 2024
8HLC
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BU of 8hlc by Molmil
S protein of SARS-CoV-2 in complex with 3711
Descriptor: 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)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, Y.Y, Guo, Y.Y, Zhou, Q.
Deposit date:2022-11-29
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:A SARS-CoV-2 Spike N-terminal domain neutralizing antibody targets on a glycans shielded silent face and inhibits virus entry via hindering the recognition of RBD and hACE2
To Be Published
8HLD
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BU of 8hld by Molmil
S protein of SARS-CoV-2 in complex with 26434
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Zhang, Y.Y, Guo, Y.Y, Zhou, Q.
Deposit date:2022-11-29
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:A SARS-CoV-2 Spike N-terminal domain neutralizing antibody targets on a glycans shielded silent face and inhibits virus entry via hindering the recognition of RBD and hACE2
To Be Published
8K67
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BU of 8k67 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K68
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BU of 8k68 by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6A
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BU of 8k6a by Molmil
Crystal structure of SARS-CoV-2 3CLpro S301P mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6B
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BU of 8k6b by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/M165V mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6C
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BU of 8k6c by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant
Descriptor: 3C-like proteinase nsp5
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8K6D
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BU of 8k6d by Molmil
Crystal structure of SARS-CoV-2 3CLpro M49K/S301P mutant in complex with WU-04
Descriptor: 3C-like proteinase nsp5, ~{N}-[(1~{S},2~{R})-2-[[4-bromanyl-2-(methylcarbamoyl)-6-nitro-phenyl]amino]cyclohexyl]isoquinoline-4-carboxamide
Authors:Zhang, L.J, Hu, Q.
Deposit date:2023-07-25
Release date:2024-06-05
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Resistance mechanisms of SARS-CoV-2 3CLpro to the non-covalent inhibitor WU-04.
Cell Discov, 10, 2024
8P5M
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BU of 8p5m by Molmil
SARS-CoV-2 Spike RBD in complex with Mab-23 (Fab)
Descriptor: Mab-23 (Heavy chain variable domain), Mab-23 (Light chain variable domain), Spike protein S1
Authors:Das, H, Hallberg, B.M.
Deposit date:2023-05-24
Release date:2024-06-05
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:SARS-CoV-2 Spike RBD in complex with Mab-23 (Fab domains)
To Be Published

222415

数据于2024-07-10公开中

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