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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
8DM9
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BU of 8dm9 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse 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 2, ...
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.56 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DMA
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BU of 8dma by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with mouse ACE2 (focused refinement of RBD and ACE2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Berezuk, A.M, Cholak, S, Tuttle, K.S, Vahdatihassani, F, Subramaniam, S.
Deposit date:2022-07-08
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.79 Å)
Cite:Structural analysis of receptor engagement and antigenic drift within the BA.2 spike protein.
Cell Rep, 42, 2023
8DQU
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BU of 8dqu by Molmil
Nanobody bound SARS-CoV-2 Nsp9
Descriptor: Nanobody, Non-structural protein 9
Authors:Littler, D.R, Gully, B.S, Rossjohn, J.
Deposit date:2022-07-20
Release date:2023-02-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45003185971 Å)
Cite:Inside-out: Antibody-binding reveals potential folding hinge-points within the SARS-CoV-2 replication co-factor nsp9.
Plos One, 18, 2023
8EQJ
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BU of 8eqj by Molmil
Structure of SARS-CoV-2 Orf3a in late endosome/lysosome-like membrane environment, MSP1D1 nanodisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein
Authors:Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E.
Deposit date:2022-10-07
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
8EQT
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BU of 8eqt by Molmil
Structure of SARS-CoV-2 Orf3a in plasma membrane-like environment, MSP1D1 nanodisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein
Authors:Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E.
Deposit date:2022-10-09
Release date:2023-02-08
Last modified:2024-06-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
8EQU
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BU of 8equ by Molmil
Structure of SARS-CoV-2 Orf3a in late endosome/lysosome-like environment, Saposin A nanodisc
Descriptor: 1,2-dioleoyl-sn-glycero-3-phosphoethanolamine, ORF3a protein, Saposin A, ...
Authors:Miller, A.N, Houlihan, P.R, Matamala, E, Cabezas-Bratesco, D, Lee, G.Y, Cristofori-Armstrong, B, Dilan, T.L, Sanchez-Martinez, S, Matthies, D, Yan, R, Yu, Z, Ren, D, Brauchi, S.E, Clapham, D.E.
Deposit date:2022-10-09
Release date:2023-02-08
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:The SARS-CoV-2 accessory protein Orf3a is not an ion channel, but does interact with trafficking proteins.
Elife, 12, 2023
7WWI
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BU of 7wwi by Molmil
SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab in the class 1 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 55A8 heavy chain, ...
Authors:Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
Deposit date:2022-02-13
Release date:2023-02-15
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab in the class 1 conformation
To Be Published
7WWJ
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BU of 7wwj by Molmil
SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab in the class 2 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 55A8 heavy chain, ...
Authors:Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
Deposit date:2022-02-13
Release date:2023-02-15
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:EM structure of SARS-CoV-2 Omicron variant spike glycoprotein and 55A8
To Be Published
7WWK
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BU of 7wwk by Molmil
Local refinement of the SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab
Descriptor: 55A8 light chain, Spike glycoprotein
Authors:Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
Deposit date:2022-02-13
Release date:2023-02-15
Last modified:2023-04-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Local refinement of the SARS-CoV-2 BA.1 Spike trimer in complex with 55A8 Fab
To Be Published
7Y7J
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BU of 7y7j by Molmil
SARS-CoV-2 S trimer in complex with 1F Fab
Descriptor: 1F VH, 1F VL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, S, Liu, F, Yang, X, Zhong, G.
Deposit date:2022-06-22
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
7Y7K
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BU of 7y7k by Molmil
SARS-CoV-2 RBD in complex with 1F Fab
Descriptor: 1F VH, 1F VL, Spike protein S1
Authors:Zhao, S, Liu, F, Yang, X, Zhong, G.
Deposit date:2022-06-22
Release date:2023-02-22
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:A core epitope targeting antibody of SARS-CoV-2.
Protein Cell, 14, 2023
8B2T
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BU of 8b2t by Molmil
SARS-CoV-2 Main Protease (Mpro) in complex with nirmatrelvir alkyne
Descriptor: 3C-like proteinase nsp5, Nirmatrelvir (reacted form)
Authors:Owen, C.D, Crawshaw, A.D, Warren, A.J, Trincao, J, Zhao, Y, Brewitz, L, Malla, T.R, Salah, E, Petra, L, Strain-Damerell, C, Schofield, C.J, Walsh, M.A.
Deposit date:2022-09-14
Release date:2023-02-22
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.893 Å)
Cite:Alkyne Derivatives of SARS-CoV-2 Main Protease Inhibitors Including Nirmatrelvir Inhibit by Reacting Covalently with the Nucleophilic Cysteine.
J.Med.Chem., 66, 2023
8C8P
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BU of 8c8p by Molmil
Structure of the SARS-CoV-2 spike glycoprotein in complex with the 10D12 heavy-chain-only antibody (local refinement)
Descriptor: Heavy-chain-only antibody 10D12, Spike glycoprotein,SARS-CoV-2 spike glycoprotein
Authors:Serna Martin, I, Hurdiss, D.L.
Deposit date:2023-01-20
Release date:2023-02-22
Last modified:2023-03-22
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Avidity engineering of human heavy-chain-only antibodies mitigates neutralization resistance of SARS-CoV-2 variants.
Front Immunol, 14, 2023
8G62
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BU of 8g62 by Molmil
Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
Descriptor: 3-methoxy-5-(1-methylpiperidin-4-yl)-N-[4-(pyrrolidine-1-sulfonyl)phenyl]benzamide, ACETATE ION, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Jedrzejczak, R, Luci, D, Kales, S, Simeonov, A, Rai, G, Drayman, N, Tay, S, Oakes, S, Rosner, M, Chen, B, Dulin, N, Solway, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID), Center for Structural Biology of Infectious Diseases (CSBID)
Deposit date:2023-02-14
Release date:2023-02-22
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Papain-Like Protease of SARS CoV-2 in complex with remodilin NCGC 390004
To Be Published
7U0Q
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BU of 7u0q by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-02
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:Patel, A, Ortlund, E.
Deposit date:2022-02-18
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.86 Å)
Cite:Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
7U0X
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BU of 7u0x by Molmil
SARS-Cov2 S protein structure in complex with neutralizing monoclonal antibody 002-13
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:Patel, A, Ortlund, E.
Deposit date:2022-02-19
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.82 Å)
Cite:Molecular basis of SARS-CoV-2 Omicron variant evasion from shared neutralizing antibody response.
Structure, 31, 2023
7WP6
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BU of 7wp6 by Molmil
Cryo-EM structure of SARS-CoV-2 recombinant spike protein STFK in complex with three neutralizing antibodies
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 36H6 heavy chain, ...
Authors:Zheng, Q, Sun, H, Yuan, Q, Li, S, Xia, N.
Deposit date:2022-01-23
Release date:2023-03-01
Last modified:2023-09-13
Method:ELECTRON MICROSCOPY (3.81 Å)
Cite:Lineage-mosaic and mutation-patched spike proteins for broad-spectrum COVID-19 vaccine.
Cell Host Microbe, 30, 2022
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
Authors:Wang, X, Wang, Z.
Deposit date:2022-02-25
Release date:2023-03-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7XCZ
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BU of 7xcz by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7054 and BA7125 fab (local refinement)
Descriptor: BA7054 fab, BA7125 fab, Spike glycoprotein
Authors:Liu, Z, Liu, S.
Deposit date:2022-03-26
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDA
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BU of 7xda by Molmil
Cryo-EM structure of SARS-CoV-2 Delta RBD in complex with BA7208 and BA7125 fab (local refinement)
Descriptor: BA7125 fab, BA7208 fab, Spike glycoprotein
Authors:Liu, Z, Liu, S, Liu, S.
Deposit date:2022-03-26
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.98 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDB
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BU of 7xdb by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron Spike protein in complex with BA7208 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7208 fab, ...
Authors:Liu, Z, Liu, S, Gao, Y.Z.
Deposit date:2022-03-26
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (2.62 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XDK
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BU of 7xdk by Molmil
Cryo-EM structure of SARS-CoV-2 Delta Spike protein in complex with BA7054 and BA7125 fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7054 fab, ...
Authors:Liu, Z, Lui, S, Gao, Y.
Deposit date:2022-03-27
Release date:2023-03-01
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Biparatopic antibody BA7208/7125 effectively neutralizes SARS-CoV-2 variants including Omicron BA.1-BA.5.
Cell Discov, 9, 2023
7XQ6
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BU of 7xq6 by Molmil
The complex structure of mutant Mpro with inhibitor
Descriptor: 3C-like proteinase nsp5, CHLORIDE ION
Authors:Sahoo, P, Lenka, D.R, Kumar, A.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
7XQ7
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BU of 7xq7 by Molmil
The complex structure of WT-Mpro
Descriptor: 3C-like proteinase nsp5, SODIUM ION
Authors:Sahoo, P, Lenka, D.R, Kumar, A.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Detailed Insights into the Inhibitory Mechanism of New Ebselen Derivatives against Main Protease (M pro ) of Severe Acute Respiratory Syndrome Coronavirus-2 (SARS-CoV-2).
Acs Pharmacol Transl Sci, 6, 2023
7ZSD
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BU of 7zsd by Molmil
cryo-EM structure of omicron spike in complex with de novo designed binder, local
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, de novo designed binder
Authors:Pablo, G, Sarah, W, Alexandra, V.H, Anthony, M, Andreas, S, Zander, H, Dongchun, N, Shuguang, T, Freyr, S, Casper, G, Priscilla, T, Alexandra, T, Stephane, R, Sandrine, G, Jane, M, Aaron, P, Zepeng, X, Yan, C, Pu, H, George, G, Elisa, O, Beat, F, Didier, T, Henning, S, Michael, B, Bruno, E.C.
Deposit date:2022-05-06
Release date:2023-03-01
Last modified:2023-05-24
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:De novo design of protein interactions with learned surface fingerprints.
Nature, 617, 2023

223532

数据于2024-08-07公开中

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