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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
7NEH
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BU of 7neh by Molmil
Crystal structure of the receptor binding domain of SARS-CoV-2 Spike glycoprotein in complex with COVOX-269 Fab
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Zhou, D, Ren, J, Stuart, D.
Deposit date:2021-02-04
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Reduced neutralization of SARS-CoV-2 B.1.1.7 variant by convalescent and vaccine sera.
Cell, 184, 2021
7NEV
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BU of 7nev by Molmil
Structure of the hemiacetal complex between the SARS-CoV-2 Main Protease and Leupeptin
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Guenther, S, Reinke, P.Y.A, Oberthuer, D, Yefanov, O, Gelisio, L, Ginn, H.M, Lieske, J, Domaracky, M, Brehm, W, Rahmani Mashhour, A, White, T.A, Knoska, J, Pena Esperanza, G, Koua, F, Tolstikova, A, Groessler, M, Fischer, P, Hennicke, V, Fleckenstein, H, Trost, F, Galchenkova, M, Gevorkov, Y, Li, C, Awel, S, Xavier, P.L, Ullah, N, Andaleeb, H, Falke, S, Alves Franca, B, Schwinzer, M, Brognaro, H, Werner, N, Perbandt, M, Tidow, H, Seychell, B, Beck, T, Meier, S, Zaitsev-Doyle, J.J, Rogers, C, Gieseler, H, Melo, D, Monteiro, D.C.F, Dunkel, I, Lane, T.J, Peck, A, Saouane, S, Hakanpaeae, J, Meyer, J, Noei, H, Gribbon, P, Ellinger, B, Kuzikov, M, Wolf, M, Zhang, L, Ehrt, C, Pletzer-Zelgert, J, Wollenhaupt, J, Feiler, C, Weiss, M, Schluenzen, F, Schulz, E.C, Mehrabi, P, Norton-Baker, B, Schmidt, C, Lorenzen, K, Schubert, R, Sun, X, Han, H, Chari, A, Fernandez Garcia, Y, Turk, D, Hilgenfeld, R, Rarey, M, Zaliani, A, Chapman, H.N, Pearson, A, Betzel, C, Meents, A.
Deposit date:2021-02-05
Release date:2021-03-03
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease.
Science, 372, 2021
7CZP
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BU of 7czp by Molmil
S protein of SARS-CoV-2 in complex bound with P2B-1A1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c181_light_IGLV2-14_IGLJ3,IGL@ protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZQ
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BU of 7czq by Molmil
S protein of SARS-CoV-2 in complex bound with P2B-1A10
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,Chain H of P2B-1A10,Immunoglobulin gamma-1 heavy chain, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZT
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BU of 7czt by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-2G9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c689_light_IGLV5-37_IGLJ3,IGL@ protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZV
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BU of 7czv by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-1B6_3B
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Immunoglobulin heavy variable 3-30-3,chain H of P5A-1B6_3B,Immunoglobulin gamma-1 heavy chain, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZW
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BU of 7czw by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-2G7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IGL c2312_light_IGLV2-14_IGLJ2,IGL@ protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZX
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BU of 7czx by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-1B9
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c168_light_IGKV4-1_IGKJ4,Uncharacterized protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7CZZ
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BU of 7czz by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-2F11_3B
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:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7D00
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BU of 7d00 by Molmil
S protein of SARS-CoV-2 in complex bound with FabP5A-1B8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, IG c642_heavy_IGHV3-53_IGHD1-26_IGHJ6,chain H of FabP5A-1B8,IGH@ protein, ...
Authors:Yan, R.H, Zhang, Y.Y, Li, Y.N, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7D0C
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BU of 7d0c by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-3A1
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 P5A-3A1, ...
Authors:Yan, R.H, Wang, R.K, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7D0D
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BU of 7d0d by Molmil
S protein of SARS-CoV-2 in complex bound with P5A-3C12_2B
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 P5A-3C12, ...
Authors:Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q.
Deposit date:2020-09-09
Release date:2021-03-10
Last modified:2021-05-19
Method:ELECTRON MICROSCOPY (3.8 Å)
Cite:Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
7LAB
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BU of 7lab by Molmil
Structure of SARS-CoV-2 S protein in complex with N-terminal domain antibody DH1052
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1052 heavy chain, ...
Authors:Manne, K, Acharya, P.
Deposit date:2021-01-06
Release date:2021-03-10
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (2.97 Å)
Cite:In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7E35
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BU of 7e35 by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (PLPro) C112S mutant bound to compound S43
Descriptor: N-[(3-acetamidophenyl)methyl]-1-[(1R)-1-naphthalen-1-ylethyl]piperidine-4-carboxamide, Non-structural protein 3, ZINC ION
Authors:Liu, J, Wang, Y, Xu, X, Pan, L.
Deposit date:2021-02-08
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Development of potent and selective inhibitors targeting the papain-like protease of SARS-CoV-2.
Cell Chem Biol, 28, 2021
7EAM
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BU of 7eam by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6
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 protein S1, ...
Authors:Li, T.T, Gu, Y, Li, S.W.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
7LAA
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BU of 7laa by Molmil
Structure of SARS-CoV-2 S protein in complex with Receptor Binding Domain antibody DH1041
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, DH1041 heavy chain, ...
Authors:Manne, K, Acharya, P.
Deposit date:2021-01-06
Release date:2021-03-17
Last modified:2021-08-18
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:In vitro and in vivo functions of SARS-CoV-2 infection-enhancing and neutralizing antibodies.
Cell, 184, 2021
7LS9
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BU of 7ls9 by Molmil
Cryo-EM structure of neutralizing antibody 1-57 in complex with prefusion SARS-CoV-2 spike glycoprotein
Descriptor: 1-57 Fab heavy chain, 1-57 Fab light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Cerutti, G, Shapiro, L.
Deposit date:2021-02-17
Release date:2021-03-17
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.42 Å)
Cite:Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies.
Structure, 29, 2021
7LSS
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BU of 7lss by Molmil
Cryo-EM structure of the SARS-CoV-2 spike glycoprotein bound to Fab 2-7
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab 2-7 variable heavy chain, ...
Authors:Rapp, M, Shapiro, L.
Deposit date:2021-02-18
Release date:2021-03-17
Last modified:2021-09-29
Method:ELECTRON MICROSCOPY (3.72 Å)
Cite:Structural basis for accommodation of emerging B.1.351 and B.1.1.7 variants by two potent SARS-CoV-2 neutralizing antibodies.
Structure, 29, 2021
7LTU
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BU of 7ltu by Molmil
AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2, RESIDUES 217-222, CRYSTAL FORM 1
Descriptor: AALALL SEGMENT FROM THE NUCLEOPROTEIN OF SARS-COV-2,RESIDUES 217-222, trifluoroacetic acid
Authors:Zee, C.-T, Sawaya, M.R, Rodriguez, J.A, Eisenberg, D.S.
Deposit date:2021-02-20
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.122 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
7LUZ
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BU of 7luz by Molmil
GQTVTK segment from the Nucleoprotein of SARS-CoV-2, residues 243-248
Descriptor: Nucleoprotein GQTVTK
Authors:Balbirnie, M, Sawaya, M.R, Eisenberg, D.S, Cascio, D.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.101 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
7LV2
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BU of 7lv2 by Molmil
GSQASS segment from the Nucleoprotein of SARS-CoV-2, residues 179-184
Descriptor: Nucleoprotein GSQASS
Authors:Hou, K, Sawaya, M.R, Eisenberg, D.S, Cascio, D.
Deposit date:2021-02-23
Release date:2021-03-17
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.301 Å)
Cite:Inhibition of amyloid formation of the Nucleoprotein of SARS-CoV-2.
Biorxiv, 2021
7LYI
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BU of 7lyi by Molmil
Crystal structure of the SARS-CoV-2 (COVID-19) main protease in complex with inhibitor UAWJ9-36-3
Descriptor: 3C-like proteinase, GLYCEROL, SODIUM ION, ...
Authors:Sacco, M, Wang, J, Chen, Y.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Rational Design of Hybrid SARS-CoV-2 Main Protease Inhibitors Guided by the Superimposed Cocrystal Structures with the Peptidomimetic Inhibitors GC-376, Telaprevir, and Boceprevir.
Acs Pharmacol Transl Sci, 4, 2021
7CR5
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BU of 7cr5 by Molmil
Complex structure of a human monoclonal antibody with SARS-CoV-2 nucleocapsid protein NTD
Descriptor: Nucleoprotein, ZINC ION, monoclonal antibody chain H, ...
Authors:Chen, S, Kang, S.
Deposit date:2020-08-12
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:A SARS-CoV-2 antibody curbs viral nucleocapsid protein-induced complement hyperactivation.
Nat Commun, 12, 2021
7DCD
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BU of 7dcd by Molmil
Nonstructural protein 7 and 8 complex of SARS-CoV-2
Descriptor: Non-structural protein 7, Non-structural protein 8
Authors:Zhang, C.H, Li, L, Su, D.
Deposit date:2020-10-24
Release date:2021-03-24
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Nonstructural protein 7 and 8 complexes of SARS-CoV-2.
Protein Sci., 30, 2021
7E7B
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BU of 7e7b by Molmil
Cryo-EM structure of the SARS-CoV-2 furin site mutant S-Trimer from a subunit vaccine candidate
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-hydroxyethyl 2-deoxy-3,5-bis-O-(2-hydroxyethyl)-6-O-(2-{[(9E)-octadec-9-enoyl]oxy}ethyl)-alpha-L-xylo-hexofuranoside, ...
Authors:Zheng, S, Ma, J.
Deposit date:2021-02-25
Release date:2021-03-24
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Cryo-EM structure of S-Trimer, a subunit vaccine candidate for COVID-19.
J.Virol., 95, 2021

219140

数据于2024-05-01公开中

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