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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
8DS1
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BU of 8ds1 by Molmil
Structure of SARS-CoV-2 Mpro in complex with nsp12-nsp13 (C12) cut site sequence
Descriptor: 3C-like proteinase nsp5, DI(HYDROXYETHYL)ETHER, SODIUM ION
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8DS2
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BU of 8ds2 by Molmil
Structure of SARS-CoV-2 Mpro in complex with the nsp13-nsp14 (C13) cut site sequence (form 2)
Descriptor: 3C-like proteinase nsp5, GLYCEROL, SODIUM ION
Authors:Lee, J, Kenward, C, Worrall, L.J, Vuckovic, M, Paetzel, M, Strynadka, N.C.J.
Deposit date:2022-07-21
Release date:2022-09-28
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:X-ray crystallographic characterization of the SARS-CoV-2 main protease polyprotein cleavage sites essential for viral processing and maturation.
Nat Commun, 13, 2022
8EHJ
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BU of 8ehj by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) H172Q Mutant
To Be Published
8EHK
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BU of 8ehk by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T135I Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) T135I Mutant
To Be Published
8EHL
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BU of 8ehl by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144M Mutant
To Be Published
8EHM
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BU of 8ehm by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144F Mutant
Descriptor: 3C-like proteinase nsp5
Authors:Lewandowski, E.M, Hu, Y, Tan, H, Wang, J, Chen, Y.
Deposit date:2022-09-14
Release date:2022-09-28
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Crystal Structure of SARS-CoV-2 Main Protease (Mpro) S144F Mutant
To Be Published
7UJ9
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BU of 7uj9 by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-199)
Descriptor: 3C-like proteinase nsp5
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-03-30
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7UJG
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BU of 7ujg by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with GC-376
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-L-leucyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5
Authors:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-03-30
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7UJU
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BU of 7uju by Molmil
Room-temperature X-ray structure of monomeric SARS-CoV-2 main protease catalytic domain (MPro1-196) in complex with nirmatrelvir
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:Kovalevsky, A, Kneller, D.W, Coates, L.
Deposit date:2022-03-31
Release date:2022-10-05
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Autoprocessing and oxyanion loop reorganization upon GC373 and nirmatrelvir binding of monomeric SARS-CoV-2 main protease catalytic domain.
Commun Biol, 5, 2022
7XRP
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BU of 7xrp by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with nanobody C5G2 (localized refinement)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, C5G2 nanobody, Spike protein S1
Authors:Liu, L, Sun, H, Jiang, Y, Liu, X, Zhao, D, Zheng, Q, Li, S, Xia, N.
Deposit date:2022-05-11
Release date:2022-10-05
Method:ELECTRON MICROSCOPY (3.88 Å)
Cite:A potent synthetic nanobody with broad-spectrum activity neutralizes SARS-CoV-2 virus and the Omicron variant BA.1 through a unique binding mode.
J Nanobiotechnology, 20, 2022
8DZA
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BU of 8dza by Molmil
Crystal Structure of SARS-CoV-2 Main protease A193T mutant in complex with Nirmatrelvir
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, DIMETHYL SULFOXIDE
Authors:Noske, G.D, Oliva, G, Godoy, A.S.
Deposit date:2022-08-06
Release date:2022-10-05
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.961 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
7TLT
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BU of 7tlt by Molmil
SARS-CoV-2 Spike-derived peptide S489-497 (YFPLQSYGF) presented by HLA-A*29:02
Descriptor: Beta-2-microglobulin, HLA class I histocompatibility antigen, A alpha chain, ...
Authors:Murdolo, L.D, Szeto, C, Gras, S.
Deposit date:2022-01-18
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Ablation of CD8 + T cell recognition of an immunodominant epitope in SARS-CoV-2 Omicron variants BA.1, BA.2 and BA.3.
Nat Commun, 13, 2022
7ZCE
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BU of 7zce by Molmil
SARS-CoV-2 Spike protein in complex with the single chain fragment scFv76
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,Fibritin, ...
Authors:Chaves-Sanjuan, A, Bolognesi, M.
Deposit date:2022-03-28
Release date:2022-10-12
Last modified:2023-02-08
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Spike mutation resilient scFv76 antibody counteracts SARS-CoV-2 lung damage upon aerosol delivery.
Mol.Ther., 31, 2022
8E25
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BU of 8e25 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease M49I mutant in complex with Nirmatrelvir
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, DIMETHYL SULFOXIDE, Replicase polyprotein 1ab
Authors:Noske, G.D, Godoy, A.S, Oliva, G.
Deposit date:2022-08-14
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.868 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8E26
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BU of 8e26 by Molmil
Crystal Structure of SARS-CoV-2 Main Protease N142S mutant in complex with Nirmatrelvir
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, DIMETHYL SULFOXIDE
Authors:Noske, G.D, Godoy, A.S, Oliva, G.
Deposit date:2022-08-14
Release date:2022-10-12
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.845 Å)
Cite:Structural basis of nirmatrelvir and ensitrelvir activity against naturally occurring polymorphisms of the SARS-CoV-2 main protease.
J.Biol.Chem., 299, 2023
8GX9
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BU of 8gx9 by Molmil
Crystal structure of SARS-CoV-2 RBD with P2C-1F11 and P2B-1G5
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of P2B-1G5, ...
Authors:Wang, X, Zhang, L, Ge, J.
Deposit date:2022-09-19
Release date:2022-10-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (4.01 Å)
Cite:Crystal structure of SARS-CoV-2 antibody P2C-1F11 and RBD
To be published
7UFK
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BU of 7ufk by Molmil
Crystal structure of chimeric omicron RBD (strain BA.2) 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:Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F.
Deposit date:2022-03-22
Release date:2022-10-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.38 Å)
Cite:Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
7UFL
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BU of 7ufl by Molmil
Crystal structure of chimeric omicron RBD (strain BA.2) complexed with chimeric mouse 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:Zhang, W, Shi, K, Geng, Q, Ye, G, Aihara, H, Li, F.
Deposit date:2022-03-22
Release date:2022-10-19
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structural basis for mouse receptor recognition by SARS-CoV-2 omicron variant.
Proc.Natl.Acad.Sci.USA, 119, 2022
7VHJ
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BU of 7vhj by Molmil
Furin Site deletion of SARS-CoV-2 spike
Descriptor: Spike glycoprotein
Authors:Wang, X, Cui, Z.
Deposit date:2021-09-22
Release date:2022-10-19
Method:ELECTRON MICROSCOPY (4.2 Å)
Cite:Furin Site deletion of SARS-CoV-2 Spike
To Be Published
7VHK
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BU of 7vhk by Molmil
S1-S2 deletion S-2P trimer(3 down)
Descriptor: Spike glycoprotein
Authors:Wang, X, Cui, Z.
Deposit date:2021-09-22
Release date:2022-10-19
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Furin Site deletion S-2P trimer
To Be Published
7VHM
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BU of 7vhm by Molmil
Double deletion S-2P trimer(3 down)
Descriptor: Spike glycoprotein
Authors:Wang, L, Wang, X, Wang, X.
Deposit date:2021-09-22
Release date:2022-10-19
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Double deletion S-2P trimer(3 down)
To Be Published
7WSE
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BU of 7wse by Molmil
Cryo-EM structure of SARS-CoV-2 spike receptor-binding domain complexed with its receptor minke whale ACE2
Descriptor: Angiotensin-converting enzyme, Spike protein S1, ZINC ION
Authors:Li, S, Han, P.
Deposit date:2022-01-29
Release date:2022-10-19
Method:ELECTRON MICROSCOPY (2.93 Å)
Cite:Cross-species recognition and molecular basis of SARS-CoV-2 and SARS-CoV binding to ACE2s of marine animals.
Natl Sci Rev, 9, 2022
7YE7
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BU of 7ye7 by Molmil
Crystal structure of SARS-CoV-2 soluble dimeric ORF9b
Descriptor: N-OCTANE, ORF9b protein, nonane
Authors:Jin, X, Chai, Y, Qi, J, Song, H, Gao, G.F.
Deposit date:2022-07-05
Release date:2022-10-19
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural characterization of SARS-CoV-2 dimeric ORF9b reveals potential fold-switching trigger mechanism.
Sci China Life Sci, 66, 2023
7YQT
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BU of 7yqt by Molmil
SARS-CoV-2 BA.2.75 S Trimer (1 RBD Up)
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:Wang, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.45 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022
7YQU
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BU of 7yqu by Molmil
SARS-CoV-2 BA.2.75 S Trimer (3 RBD Down)
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:Wang, L.
Deposit date:2022-08-08
Release date:2022-10-19
Last modified:2022-11-23
Method:ELECTRON MICROSCOPY (3.19 Å)
Cite:Characterization of the enhanced infectivity and antibody evasion of Omicron BA.2.75.
Cell Host Microbe, 30, 2022

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數據於2024-09-25公開中

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