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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
8GFU
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BU of 8gfu by Molmil
Room temperature X-ray structure of truncated SARS-CoV-2 main protease C145A mutant, residues 1-304, in complex with nirmatrelvir (NMV)
Descriptor: 3C-like proteinase nsp5, Nirmatrelvir
Authors:Kovalevsky, A, Coates, L.
Deposit date:2023-03-08
Release date:2023-07-12
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Contribution of the catalytic dyad of SARS-CoV-2 main protease to binding covalent and noncovalent inhibitors.
J.Biol.Chem., 299, 2023
8GQC
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BU of 8gqc by Molmil
Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.35 angstrom resolution)
Descriptor: Papain-like protease nsp3
Authors:Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
Deposit date:2022-08-30
Release date:2023-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target.
Nat Commun, 14, 2023
8GTO
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BU of 8gto by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv282
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:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTP
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BU of 8gtp by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with XGv289
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:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8GTQ
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BU of 8gtq by Molmil
cryo-EM structure of Omicron BA.5 S protein in complex with S2L20
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:Xia, X.Y, Zhang, Y.Y, Chi, X.M, Huang, B.D, Wu, L.S, Zhou, Q.
Deposit date:2022-09-08
Release date:2023-07-12
Method:ELECTRON MICROSCOPY (3.1 Å)
Cite:Comprehensive structural analysis reveals broad-spectrum neutralizing antibodies against SARS-CoV-2 Omicron variants.
Cell Discov, 9, 2023
8HBL
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BU of 8hbl by Molmil
Crystal structure of the SARS-unique domain (SUD) of SARS-CoV-2 (1.58 angstrom resolution)
Descriptor: GLYCEROL, LITHIUM ION, Non-structural protein 3, ...
Authors:Qin, B, Li, Z, Aumonier, S, Wang, M, Cui, S.
Deposit date:2022-10-29
Release date:2023-07-12
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Identification of the SARS-unique domain of SARS-CoV-2 as an antiviral target.
Nat Commun, 14, 2023
7Y6K
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BU of 7y6k by Molmil
Cryo-EM structure of SARS-CoV-2 receptor binding domain in complex with K202.B bispecific antibody
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab region of heavy chain from K202.B, bispecific antibody, ...
Authors:Yoo, Y, Cho, H.S.
Deposit date:2022-06-20
Release date:2023-07-19
Method:ELECTRON MICROSCOPY (3.34 Å)
Cite:Cryo-EM structure of SARS-CoV-2 receptor binding domain in complex with K202.B bispecific antibody
To Be Published
7YBG
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BU of 7ybg by Molmil
Crystal structure of the SARS-CoV-2 papain-like protease (C111S mutant)
Descriptor: 2,3-DIHYDROXY-1,4-DITHIOBUTANE, CHLORIDE ION, MALONIC ACID, ...
Authors:Zeng, R, Lei, J.
Deposit date:2022-06-29
Release date:2023-07-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the SARS-CoV-2 papain-like protease (C111S mutant)
To Be Published
7YH6
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BU of 7yh6 by Molmil
Structure of SARS-CoV-2 spike RBD in complex with neutralizing antibody NIV-8
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-8 Fab heavy chain, NIV-8 Fab light chain, ...
Authors:Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
Deposit date:2022-07-12
Release date:2023-07-19
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
7YH7
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BU of 7yh7 by Molmil
SARS-CoV-2 spike in complex with neutralizing antibody NIV-8 (state 2)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, NIV-8 Fab heavy chain, ...
Authors:Moriyama, S, Anraku, Y, Muranishi, S, Adachi, Y, Kuroda, D, Higuchi, Y, Kotaki, R, Tonouchi, K, Yumoto, K, Suzuki, T, Kita, S, Someya, T, Fukuhara, H, Kuroda, Y, Yamamoto, T, Onodera, T, Fukushi, S, Maeda, K, Nakamura-Uchiyama, F, Hashiguchi, T, Hoshino, A, Maenaka, K, Takahashi, Y.
Deposit date:2022-07-13
Release date:2023-07-19
Last modified:2024-05-15
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Structural delineation and computational design of SARS-CoV-2-neutralizing antibodies against Omicron subvariants.
Nat Commun, 14, 2023
7YHW
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BU of 7yhw by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2.12.1 RBD in complex with human ACE2 (local refinement)
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-07-14
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.09 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YJ3
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BU of 7yj3 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with human ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-07-19
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.14 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YV8
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BU of 7yv8 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with golden hamster ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme, Spike glycoprotein, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-18
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7YVU
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BU of 7yvu by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with mouse ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-08-19
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
8DNT
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BU of 8dnt by Molmil
SARS-CoV-2 specific T cell receptor
Descriptor: Beta-2-microglobulin, MHC class I antigen alpha chain, Nucleoprotein, ...
Authors:Gallagher, D.T, Wu, D, Gowthaman, R, Pierce, B.G, Mariuzza, R.A, Weng, N.P.
Deposit date:2022-07-11
Release date:2023-07-19
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (3.18 Å)
Cite:SARS-CoV-2 infection establishes a stable and age-independent CD8 + T cell response against a dominant nucleocapsid epitope using restricted T cell receptors.
Nat Commun, 14, 2023
8EL2
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BU of 8el2 by Molmil
SARS-CoV-2 RBD bound to neutralizing antibody Fab ICO-hu23
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab ICO-hu23 Heavy Chain, Fab ICO-hu23 Light Chain, ...
Authors:Besaw, J.E, Kuo, A, Morizumi, T, Ernst, O.P.
Deposit date:2022-09-22
Release date:2023-07-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Broadly neutralizing humanized SARS-CoV-2 antibody binds to a conserved epitope on Spike and provides antiviral protection through inhalation-based delivery in non-human primates.
Plos Pathog., 19, 2023
8ELJ
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BU of 8elj by Molmil
SARS-CoV-2 spike glycoprotein in complex with the ICO-hu23 neutralizing antibody Fab fragment
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ICO-hu23 antibody Fab heavy chain, ...
Authors:Yee, A.W, Morizumi, T, Kim, K, Kuo, A, Ernst, O.P.
Deposit date:2022-09-24
Release date:2023-07-19
Last modified:2023-08-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Broadly neutralizing humanized SARS-CoV-2 antibody binds to a conserved epitope on Spike and provides antiviral protection through inhalation-based delivery in non-human primates.
Plos Pathog., 19, 2023
8GRY
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BU of 8gry by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.2 RBD in complex with rat ACE2 (local refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S1, ...
Authors:Zhao, Z.N, Xie, Y.F, Chai, Y, Qi, J.X, Gao, G.F.
Deposit date:2022-09-03
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (3.29 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
8H06
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BU of 8h06 by Molmil
Cryo-EM structure of SARS-CoV-2 Omicron BA.4/5 RBD in complex with human ACE2 (local refinement)
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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Z.N, Xie, Y.F, Qi, J.X, Gao, G.F.
Deposit date:2022-09-28
Release date:2023-07-19
Last modified:2023-08-02
Method:ELECTRON MICROSCOPY (2.66 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
8H5C
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BU of 8h5c by Molmil
Structure of SARS-CoV-2 Omicron BA.2.75 RBD in complex with human 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, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhao, Z.N, Bai, B, Liu, K.F, Qi, J.X, Gao, G.F.
Deposit date:2022-10-12
Release date:2023-07-19
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for receptor binding and broader interspecies receptor recognition of currently circulating Omicron sub-variants.
Nat Commun, 14, 2023
7UR9
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BU of 7ur9 by Molmil
SARS-Cov2 Main protease in complex with inhibitor CDD-1845
Descriptor: (2P)-2-(isoquinolin-4-yl)-1-[4-(methylamino)-4-oxobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase nsp5
Authors:Lu, S, Palzkill, T.
Deposit date:2022-04-21
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.16 Å)
Cite:DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7URB
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BU of 7urb by Molmil
Sars-Cov2 Main Protease in complex with CDD-1733
Descriptor: (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-{(1S)-1-[4-(trifluoromethyl)phenyl]butyl}-1H-benzimidazole-7-carboxamide, 3C-like proteinase
Authors:Lu, S, Palzkill, T, Matzuk, M.M, Judge, A.
Deposit date:2022-04-21
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
7US4
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BU of 7us4 by Molmil
Sars-Cov2 Main Protease in complex with CDD-1819
Descriptor: (2P)-2-(isoquinolin-4-yl)-1-[(1s,3R)-3-(methylcarbamoyl)cyclobutyl]-N-[(1S)-1-(naphthalen-2-yl)ethyl]-1H-benzimidazole-7-carboxamide, 3C-like proteinase
Authors:Lu, S, Palzkill, T, Matzuk, M.M, Judge, A.
Deposit date:2022-04-22
Release date:2023-07-26
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.07 Å)
Cite:DNA-encoded chemical libraries yield non-covalent and non-peptidic SARS-CoV-2 main protease inhibitors.
Commun Chem, 6, 2023
8CMB
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BU of 8cmb by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S486-505
Descriptor: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023
8CMC
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BU of 8cmc by Molmil
Human Leukocyte Antigen class II allotype DR1 presenting SARS-CoV-2 Spike peptide S511-530
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, HLA class II histocompatibility antigen, ...
Authors:MacLachlan, B.J, Mason, G.H, Sourfield, D.O, Godkin, A.J, Rizkallah, P.J.
Deposit date:2023-02-19
Release date:2023-07-26
Last modified:2023-08-02
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structural definition of HLA class II-presented SARS-CoV-2 epitopes reveals a mechanism to escape pre-existing CD4 + T cell immunity.
Cell Rep, 42, 2023

223532

数据于2024-08-07公开中

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