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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
8Q7S
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Crystal structure of the SARS-CoV-2 RBD (Wuhan) with neutralizing VHHs Ma6F06 and Re21H01
Descriptor: 1,2-ETHANEDIOL, 1-ETHOXY-2-(2-ETHOXYETHOXY)ETHANE, GLYCEROL, ...
Authors:Guttler, T, Aksu, M, Gorlich, D.
Deposit date:2023-08-16
Release date:2023-12-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q93
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Crystal structure of the SARS-COV-2 RBD with neutralizing-VHHs Re30H02 and Re21D01
Descriptor: Nanobody Re21D01, Nanobody Re30H02, Spike protein S1
Authors:Aksu, M, Guttler, T, Rymarenko, O, Gorlich, D.
Deposit date:2023-08-19
Release date:2023-12-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q94
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Crystal structure of The SARS-COV-2 BA.2.75 RBD with neutralizing-VHHs Re32D03 and Ma3B12
Descriptor: Nanobody Ma3B12, Nanobody Re32D03, Spike protein S1
Authors:Aksu, M, Guttler, T, Gorlich, D.
Deposit date:2023-08-19
Release date:2023-12-20
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8Q95
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Crystal structure of the SARS-CoV-2 BA.1 RBD with neutralizing-VHHs Ma16B06 and Ma3F05
Descriptor: Nanobody Ma16B06, Nanobody Ma3F05, Spike protein S1
Authors:Aksu, M, Rymarenko, O, Guttler, T, Gorlich, D.
Deposit date:2023-08-19
Release date:2023-12-20
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Nanobodies to multiple spike variants and inhalation of nanobody-containing aerosols neutralize SARS-CoV-2 in cell culture and hamsters.
Antiviral Res., 221, 2023
8XAB
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Crystal structure of Ubl1 domain of nonstructural protein 3 of SARS-CoV-2
Descriptor: GLYCEROL, Papain-like protease nsp3
Authors:Li, Y, Ke, Z.
Deposit date:2023-12-03
Release date:2023-12-20
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:N terminus of SARS-CoV-2 nonstructural protein 3 interrupts RNA-driven phase separation of N protein by displacing RNA.
J.Biol.Chem., 300, 2024
7Y3O
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with human antibody BIOLS56
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of BIOLS56, Light chain of BIOLS56, ...
Authors:Rao, X, Gao, F, Wu, Y, Gao, F.
Deposit date:2022-06-11
Release date:2023-12-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Defining a de novo non-RBM antibody as RBD-8 and its synergistic rescue of immune-evaded antibodies to neutralize Omicron SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 120, 2023
8BZN
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SARS-CoV-2 non-structural protein 10 (nsp10) variant T102I
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab, ...
Authors:Wang, H, Rizvi, S.R.A, Dong, D, Lou, J, Wang, Q, Sopipong, W, Najar, F, Agarwal, P.K, Kozielski, F, Haider, S.
Deposit date:2022-12-15
Release date:2023-12-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Emerging variants of SARS-CoV-2 NSP10 highlight strong functional conservation of its binding to two non-structural proteins, NSP14 and NSP16.
Elife, 12, 2023
8HN4
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Complex structure of HLA2402 with recognizing SARS-CoV-2 epitope QYIKWPWYI
Descriptor: Beta-2-microglobulin, MHC class I antigen, SARS-CoV-2 T-cell epitope QYIKWPWYI
Authors:Deng, S.S, Jin, T.C, Xu, Z.H.
Deposit date:2022-12-07
Release date:2023-12-27
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.853 Å)
Cite:Immune escape at SARS- CoV-2 killer T cell epitope
To be published
8HVK
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Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF07321332
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, 3C-like proteinase nsp5
Authors:Zeng, P, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Evaluation of the Inhibition Potency of Nirmatrelvir against Main Protease Mutants of SARS-CoV-2 Variants.
Biochemistry, 62, 2023
8HVL
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BU of 8hvl by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF07321332
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, 3C-like proteinase nsp5
Authors:Zou, X.F, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Evaluation of the Inhibition Potency of Nirmatrelvir against Main Protease Mutants of SARS-CoV-2 Variants.
Biochemistry, 62, 2023
8HVM
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Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF07321332
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, 3C-like proteinase nsp5
Authors:Wang, J, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Evaluation of the Inhibition Potency of Nirmatrelvir against Main Protease Mutants of SARS-CoV-2 Variants.
Biochemistry, 62, 2023
8HVN
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BU of 8hvn by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF07321332
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, 3C-like proteinase nsp5
Authors:Li, W.W, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Evaluation of the Inhibition Potency of Nirmatrelvir against Main Protease Mutants of SARS-CoV-2 Variants.
Biochemistry, 62, 2023
8HVO
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BU of 8hvo by Molmil
Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF07321332
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, 3C-like proteinase nsp5
Authors:Zou, X.F, Zhang, J, Li, J.
Deposit date:2022-12-27
Release date:2023-12-27
Last modified:2025-07-09
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Evaluation of the Inhibition Potency of Nirmatrelvir against Main Protease Mutants of SARS-CoV-2 Variants.
Biochemistry, 62, 2023
8I4E
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BU of 8i4e by Molmil
Omicron spike variant XBB with Bn03
Descriptor: Bn03, Spike glycoprotein
Authors:Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2023-01-19
Release date:2023-12-27
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.98 Å)
Cite:Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
8I4F
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BU of 8i4f by Molmil
Omicron spike variant XBB with n3130v-Fc
Descriptor: Spike glycoprotein, n3130v-Fc
Authors:Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2023-01-19
Release date:2023-12-27
Last modified:2025-06-25
Method:ELECTRON MICROSCOPY (3.44 Å)
Cite:Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
8I4G
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BU of 8i4g by Molmil
Omicron spike variant BQ.1.1 with n3130v-Fc
Descriptor: Spike glycoprotein, n3130v-Fc
Authors:Hao, A.H, Zhang, X, Chen, Z.G, Sun, L.
Deposit date:2023-01-19
Release date:2023-12-27
Last modified:2025-07-02
Method:ELECTRON MICROSCOPY (3.68 Å)
Cite:Defining a highly conserved cryptic epitope for antibody recognition of SARS-CoV-2 variants.
Signal Transduct Target Ther, 8, 2023
8JJE
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BU of 8jje by Molmil
RBD of SARS-CoV2 spike protein with ACE2 decoy
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:Kishikawa, J, Hirose, M, Kato, T, Okamoto, T.
Deposit date:2023-05-30
Release date:2023-12-27
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:An inhaled ACE2 decoy confers protection against SARS-CoV-2 infection in preclinical models.
Sci Transl Med, 15, 2023
8K5G
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BU of 8k5g by Molmil
Structure of the SARS-CoV-2 BA.1 RBD with UT28-RD
Descriptor: Spike protein S1, UT28K-RD Fab Heavy chain, UT28K-RD Fab Light chain
Authors:Chen, L, Kita, S, Anraku, Y, Maenaka, K.
Deposit date:2023-07-21
Release date:2023-12-27
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.41 Å)
Cite:Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1.
Structure, 32, 2024
8K5H
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BU of 8k5h by Molmil
Structure of the SARS-CoV-2 BA.1 spike with UT28-RD
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:Chen, L, Kita, S, Anraku, Y, Maenaka, K.
Deposit date:2023-07-21
Release date:2023-12-27
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Rational in silico design identifies two mutations that restore UT28K SARS-CoV-2 monoclonal antibody activity against Omicron BA.1.
Structure, 32, 2024
8TH1
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BU of 8th1 by Molmil
Crystal Structure of the G3BP1 NTF2-like domain bound to the IDR1 of SARS-CoV-2 nucleocapsid protein D3L mutant
Descriptor: Nucleoprotein, Ras GTPase-activating protein-binding protein 1
Authors:Hughes, M.P, Taylor, J.P, Yang, Z.
Deposit date:2023-07-13
Release date:2023-12-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Interaction between host G3BP and viral nucleocapsid protein regulates SARS-CoV-2 replication and pathogenicity.
Cell Rep, 43, 2024
8IHO
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BU of 8iho by Molmil
Crystal structures of SARS-CoV-2 papain-like protease in complex with covalent inhibitors
Descriptor: Papain-like protease nsp3, ZINC ION, covalent inhibitor
Authors:Wang, Q, Hu, H, Li, M, Xu, Y.
Deposit date:2023-02-23
Release date:2024-01-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.55 Å)
Cite:Structure-Based Design of Potent Peptidomimetic Inhibitors Covalently Targeting SARS-CoV-2 Papain-like Protease.
Int J Mol Sci, 24, 2023
8JYK
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BU of 8jyk by Molmil
Structure of the SARS-CoV-2 XBB.1.5 spike glycoprotein (closed state 1)
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:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
Deposit date:2023-07-03
Release date:2024-01-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (2.59 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron XBB.1.5 variant.
Nat Commun, 15, 2024
8JYN
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BU of 8jyn by Molmil
Structure of SARS-CoV-2 XBB.1.5 spike glycoprotein in complex with ACE2 (1-up state)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, ...
Authors:Yajima, H, Anraku, Y, Kita, S, Kimura, K, Sasaki, J, Sasaki-Tabata, K, Maenaka, K, Hashiguchi, T.
Deposit date:2023-07-03
Release date:2024-01-03
Last modified:2025-01-15
Method:ELECTRON MICROSCOPY (3.04 Å)
Cite:Virological characteristics of the SARS-CoV-2 Omicron XBB.1.5 variant.
Nat Commun, 15, 2024
8FHY
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BU of 8fhy by Molmil
Crystal structure of the SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5021
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, MALONATE ION, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2022-12-15
Release date:2024-01-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.53 Å)
Cite:Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques.
Nat Commun, 15, 2024
8FI9
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with neutralizing antibody WRAIR-5001
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, Spike protein S1, ...
Authors:Sankhala, R.S, Jensen, J.L, Joyce, M.G.
Deposit date:2022-12-15
Release date:2024-01-17
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Diverse array of neutralizing antibodies elicited upon Spike Ferritin Nanoparticle vaccination in rhesus macaques.
Nat Commun, 15, 2024

238582

数据于2025-07-09公开中

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