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COVID-19特輯

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冠狀病毒
冠狀病毒,2020. 由David S. Goodsell @ RCSB PDB原圖修改

最近爆發的新型冠狀病毒傳染病(Novel Coronavirus disease 2019: COVID-19)對全世界的人們都構成了嚴重威脅。 為了儘早了解新病毒(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)以開發出有效的抗病毒藥物,已經有很多科研人員開始了相關蛋白結構的研究,並且將所獲得結構數據存儲與PDB。 PDBj為用戶提供了COVID-19相關數據一覽的門戶頁面,並將於每週三更新當日新發佈的相關數據。

有關該病毒蛋白質的解說,請參見下面的“當月的分子”頁面。

“所有結構”標籤的頁面則逐一羅列了所有的數據,包括由同一研究組提交的系列數據群。 “代表性結構”標籤的頁面精選具有相同胺基酸序列的結構數據中的高分辨率數據,不重複選擇具有同一胺基酸序列的數據,即使該數據可能包含不同的配體。 “最新條目”標籤內包含本週新更新數據。


Created: 2020-09-03 (last edited: more than 1 year ago)2022-09-02
7TF3
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Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) Q484A spike protein
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:Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-01-06
Release date:2022-03-30
Method:ELECTRON MICROSCOPY (2.25 Å)
Cite:Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
7TF4
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BU of 7tf4 by Molmil
Cryo-EM structure of SARS-CoV-2 Kappa (B.1.617.1) spike protein (focused refinement of RBD)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein
Authors:Zhu, X, Saville, J.W, Mannar, D, Srivastava, S.S, Berezuk, A.M, Demers, J.P, Zhou, S, Tuttle, K.S, Subramaniam, S.
Deposit date:2022-01-06
Release date:2022-03-30
Method:ELECTRON MICROSCOPY (3.01 Å)
Cite:Structural and biochemical rationale for enhanced spike protein fitness in delta and kappa SARS-CoV-2 variants.
Nat Commun, 13, 2022
7U0D
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BU of 7u0d by Molmil
Local refinement of cryo-EM structure of the interface of the Omicron RBD in complex with antibodies B-182.1 and A19-46.1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 antibody A19-46.1, Heavy chain of SARS-CoV-2 antibody B1-182.1, ...
Authors:Zhou, T, kwong, P.D.
Deposit date:2022-02-17
Release date:2022-03-30
Last modified:2022-10-19
Method:ELECTRON MICROSCOPY (4.8 Å)
Cite:Structural basis for potent antibody neutralization of SARS-CoV-2 variants including B.1.1.529.
Science, 376, 2022
7U0N
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Crystal structure of chimeric omicron RBD (strain BA.1) complexed with human ACE2
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Geng, Q, Shi, K, Ye, G, Zhang, W, Aihara, H, Li, F.
Deposit date:2022-02-18
Release date:2022-03-30
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.61 Å)
Cite:Structural Basis for Human Receptor Recognition by SARS-CoV-2 Omicron Variant BA.1.
J.Virol., 96, 2022
7VFA
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BU of 7vfa by Molmil
the complex of SARS-CoV2 3CL and NB1A2
Descriptor: 3C-like proteinase, NB1A2, SULFATE ION
Authors:Sun, Z.C, Wang, L, Geng, Y.
Deposit date:2021-09-11
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:An extended conformation of SARS-CoV-2 main protease reveals allosteric targets.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VFB
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BU of 7vfb by Molmil
the complex of SARS-CoV2 3cl and NB2B4
Descriptor: 3C-like proteinase, nb2b4
Authors:Geng, Y, Sun, Z.C, Wang, L.
Deposit date:2021-09-11
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:An extended conformation of SARS-CoV-2 main protease reveals allosteric targets.
Proc.Natl.Acad.Sci.USA, 119, 2022
7WPH
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BU of 7wph by Molmil
SARS-CoV2 RBD bound to Fab06
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB06 light chain, Fab06 heavy chain, ...
Authors:Lin, J.Q, El Sahili, A, Lescar, J.
Deposit date:2022-01-23
Release date:2022-03-30
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.89 Å)
Cite:Engineering SARS-CoV-2 specific cocktail antibodies into a bispecific format improves neutralizing potency and breadth.
Nat Commun, 13, 2022
7E9N
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BU of 7e9n by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with 35B5 Fab(1 down RBD, state1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 35B5 Fab, Light chain of 35B5 Fab, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-03-04
Release date:2022-04-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.69 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENF
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BU of 7enf by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30
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 Fab30, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-04-16
Release date:2022-04-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (2.76 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7ENG
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BU of 7eng by Molmil
Cryo-EM structure of the SARS-CoV-2 S-6P in complex with Fab30 (local refinement of the RBD and Fab30)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of Fab30, Light chain of Fab30, ...
Authors:Wang, X.F, Zhu, Y.Q.
Deposit date:2021-04-16
Release date:2022-04-06
Last modified:2022-09-21
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:A potent human monoclonal antibody with pan-neutralizing activities directly dislocates S trimer of SARS-CoV-2 through binding both up and down forms of RBD
Signal Transduct Target Ther, 7, 2022
7RZQ
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BU of 7rzq by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex
Descriptor: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.09 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZR
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BU of 7rzr by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with D936Y mutation
Descriptor: SARS-CoV-2 HR1 D936Y linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.27 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZS
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BU of 7rzs by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with L938F mutation
Descriptor: SARS-CoV-2 HR1 L938F linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.52 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZT
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BU of 7rzt by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with S940F mutation
Descriptor: SARS-CoV-2 HR1 S940F linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.35 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZU
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BU of 7rzu by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with A942S mutation
Descriptor: SARS-CoV-2 HR1 A942S linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7RZV
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BU of 7rzv by Molmil
Cryo-EM structure of the SARS-CoV-2 HR1HR2 fusion core complex with V1176F mutation
Descriptor: SARS-CoV-2 HR1 linked to a scaffold,Spike protein S2', Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2021-08-27
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.11 Å)
Cite:Structural conservation among variants of the SARS-CoV-2 spike postfusion bundle.
Proc.Natl.Acad.Sci.USA, 119, 2022
7TIK
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BU of 7tik by Molmil
Structure of the SARS-CoV-2 Omicron spike post-fusion bundle
Descriptor: Ferritin, Dps family protein and Spike protein S2' chimera, Spike protein S2'
Authors:Yang, K, Brunger, A.T.
Deposit date:2022-01-13
Release date:2022-04-06
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.4 Å)
Cite:Structure-based design of a SARS-CoV-2 Omicron-specific inhibitor.
Proc.Natl.Acad.Sci.USA, 120, 2023
7VAH
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BU of 7vah by Molmil
The crystal structure of COVID-19 main protease in H41A mutation
Descriptor: 3C-like proteinase
Authors:Liu, X, Zhao, Y, Yang, H, Rao, Z.
Deposit date:2021-08-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.491 Å)
Cite:Structural basis for replicase polyprotein cleavage and substrate specificity of main protease from SARS-CoV-2.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VLP
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BU of 7vlp by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P1211
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, Replicase polyprotein 1a
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Li, J, Zhang, J.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.50251932385 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VLQ
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BU of 7vlq by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF07321332 in spacegroup P212121
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
Authors:Zhou, X.L, Zhong, F.L, Lin, C, Zhang, J, Li, J.
Deposit date:2021-10-05
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.93910601486 Å)
Cite:Structural Basis of the Main Proteases of Coronavirus Bound to Drug Candidate PF-07321332.
J.Virol., 96, 2022
7VTH
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BU of 7vth by Molmil
The crystal structure of SARS-CoV-2 3CL protease in complex with compound 1
Descriptor: 2-[4-[[4-[bis(fluoranyl)methoxy]-2-methyl-phenyl]amino]-2,6-bis(oxidanylidene)-3-[[3,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazin-1-yl]-N-methyl-ethanamide, 3C-like proteinase
Authors:Yamamoto, S, Tachibana, Y.
Deposit date:2021-10-29
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
7VU6
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BU of 7vu6 by Molmil
The crystal structure of SARS-CoV-2 3CL protease in complex with compound 3
Descriptor: 3C-like proteinase, 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:Yamamoto, S, Yamane, J, Tachibana, Y.
Deposit date:2021-11-01
Release date:2022-04-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of S-217622, a Noncovalent Oral SARS-CoV-2 3CL Protease Inhibitor Clinical Candidate for Treating COVID-19.
J.Med.Chem., 65, 2022
7EJY
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BU of 7ejy by Molmil
Complex Structure of antibody BD-503 and RBD of COVID-19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ...
Authors:Xu, H, Wang, B, Zhao, T.N, Su, X.D.
Deposit date:2021-04-03
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.04 Å)
Cite:Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7EJZ
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BU of 7ejz by Molmil
Complex Structure of antibody BD-503 and RBD-S477N of COVID-19
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy Chain of BD-503, Light Chain of BD-503, ...
Authors:Xu, H, Wang, B, Zhao, T.N, Su, X.D.
Deposit date:2021-04-03
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.63 Å)
Cite:Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021
7EK0
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BU of 7ek0 by Molmil
Complex Structure of antibody BD-503 and RBD-N501Y of COVID-19
Descriptor: Heavy Chain of BD-503, Light Chain of BD-503, Spike protein S1
Authors:Xu, H, Wang, B, Zhao, T.N, Su, X.D.
Deposit date:2021-04-03
Release date:2022-04-13
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structure-based analyses of neutralization antibodies interacting with naturally occurring SARS-CoV-2 RBD variants.
Cell Res., 31, 2021

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數據於2024-09-18公開中

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