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新型コロナウイルスの構造情報

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コロナウイルス
コロナウイルス, 2020. David S. Goodsell@RCSB PDB による原画を修正

最近、新型コロナウイルス感染症(Novel Coronavirus disease 2019: COVID-19)の拡大が世界中で深刻な問題となっています。早急にこの新型ウイルス(Severe Acute Respiratory Syndrome Coronavirus 2: SARS-CoV-2)を理解し有効な薬を開発するため,関連するタンパク質の構造研究は既に始まっています。そして,解明された構造はPDBに登録されていっています。PDBjでは利用者の利便を図るため,新型コロナウイルス特集ページを作成しました。新たなエントリーが毎週水曜日の週次更新で公開されると、同時にこのページにも追加されます。

またこのウイルスのタンパク質に関する解説記事を以下の「今月の分子」ページに掲載しています。

「全エントリー」のタブでは,同じ著者によるグループ登録のエントリーも全て区別し,すべてのPDB IDを省略せず表示しています。 「代表構造」タブには最も分解能の高い代表構造のみを表示しており,アミノ酸配列が100%同じPDBエントリーはリガンドが異なるものも含め除外してあります。 「最新のエントリー」のタブは,今週公開された最も新しいエントリーです。


作成日: 2020-09-03 (最終更新日: more than 1 year ago)2022-09-02
8I30
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Crystal structure of the SARS-CoV-2 main protease in complex with 32j
分子名称: (2~{R})-1-[4,4-bis(fluoranyl)cyclohexyl]carbonyl-4,4-bis(fluoranyl)-~{N}-[(2~{R},3~{S})-3-oxidanyl-4-oxidanylidene-1-phenyl-4-(pyridin-2-ylmethylamino)butan-2-yl]pyrrolidine-2-carboxamide, 3C-like proteinase nsp5, CHLORIDE ION
著者Zeng, R, Huang, C, Xie, L.W, Wang, K, Liu, Y.Z, Yang, S.Y, Lei, J.
登録日2023-01-16
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Discovery and structure-activity relationship studies of novel alpha-ketoamide derivatives targeting the SARS-CoV-2 main protease.
Eur.J.Med.Chem., 259, 2023
8IV4
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Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.59 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV5
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Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 8H12 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.77 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IV8
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Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs 3E2 and 1C4 (local refinement)
分子名称: Spike protein S1, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, heavy chain of 1C4, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.92 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8IVA
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BU of 8iva by Molmil
Cryo-EM structure of SARS-CoV-2 spike protein in complex with double nAbs XMA01 and 3E2 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, heavy chain of 3E2, ...
著者Sun, H, Jiang, Y, Zheng, Q, Li, S, Xia, N.
登録日2023-03-26
公開日2023-08-16
最終更新日2024-02-14
実験手法ELECTRON MICROSCOPY (3.95 Å)
主引用文献Two antibodies show broad, synergistic neutralization against SARS-CoV-2 variants by inducing conformational change within the RBD.
Protein Cell, 15, 2024
8JOP
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Crystal structure of the SARS-CoV-2 main protease in complex with 11a
分子名称: 3C-like proteinase nsp5, methyl (6~{R})-5-ethanoyl-7-oxidanylidene-6-[4-(trifluoromethyl)phenyl]-8,9,10,11-tetrahydro-6~{H}-benzo[b][1,4]benzodiazepine-2-carboxylate
著者Zeng, R, Liu, Y.Z, Wang, F.L, Yang, S.Y, Lei, J.
登録日2023-06-08
公開日2023-08-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Discovery of benzodiazepine derivatives as a new class of covalent inhibitors of SARS-CoV-2 main protease.
Bioorg.Med.Chem.Lett., 92, 2023
8SK5
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Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH
著者Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y.
登録日2023-04-18
公開日2023-08-16
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.011 Å)
主引用文献Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
8GF2
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Crystal structure of SARS-CoV-2 receptor binding domain in complex with antibodies eCR3022.20 and CC12.3
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CC12.3 Fab heavy chain, ...
著者Yuan, M, Zhu, X, Wilson, I.A.
登録日2023-03-07
公開日2023-08-23
実験手法X-RAY DIFFRACTION (2.851 Å)
主引用文献Broadening a SARS-CoV-1-neutralizing antibody for potent SARS-CoV-2 neutralization through directed evolution.
Sci.Signal., 16, 2023
8GW4
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SARS-CoV-2 Mpro 1-302/C145A in complex with peptide 8-1
分子名称: Replicase polyprotein 1ab, peptide 8-1
著者Liu, M, Huang, H.
登録日2022-09-16
公開日2023-08-23
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
8GWS
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SARS-CoV-2 Mpro 1-302 c145a in complex with peptide 4
分子名称: Replicase polyprotein 1ab, VAL-LYS-LEU-GLN-ALA-ILE-PHE-ARG
著者Liu, M, Fu, Z, Huang, H.
登録日2022-09-17
公開日2023-08-23
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JPQ
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SARS-CoV-2 Mpro in complex with D-5-96
分子名称: ACETIC ACID, ALANINE, ISOLEUCINE, ...
著者Liu, M, Huang, H.
登録日2023-06-12
公開日2023-08-23
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献The S1'-S3' Pocket of the SARS-CoV-2 Main Protease Is Critical for Substrate Selectivity and Can Be Targeted with Covalent Inhibitors.
Angew.Chem.Int.Ed.Engl., 62, 2023
8BWT
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Structure of a symmetrical internal loop motif with three consecutive U:U mismatches from stem-loop 1 in the 3'-UTR of the SARS-CoV2 genomic RNA
分子名称: RNA (26-MER)
著者Voegele, J, Duchardt-Ferner, E, Schwalbe, H, Woehnert, J.
登録日2022-12-07
公開日2023-08-30
最終更新日2024-07-03
実験手法SOLUTION NMR
主引用文献Structure of an internal loop motif with three consecutive U•U mismatches from stem-loop 1 in the 3'-UTR of the SARS-CoV-2 genomic RNA.
Nucleic Acids Res., 52, 2024
8CYU
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Crystal structure of SARS-CoV-2 Mpro with compound C5
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-N-[4-(dimethylamino)phenyl]-2-(isoquinolin-4-yl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CYZ
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Crystal structure of SARS-CoV-2 Mpro with compound C4
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-[4-(methylsulfanyl)phenyl]acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CZ4
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Crystal structure of SARS-CoV-2 Mpro with compound C3
分子名称: 3C-like proteinase, N-(4-tert-butylphenyl)-N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8CZ7
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Crystal structure of SARS-CoV-2 Mpro with compound C2
分子名称: 3C-like proteinase, N-[(4-chlorothiophen-2-yl)methyl]-2-(isoquinolin-4-yl)-N-(4-methoxyphenyl)acetamide
著者Worrall, L.J, Lee, J, Strynadka, N.C.J.
登録日2022-05-24
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A novel class of broad-spectrum active-site-directed 3C-like protease inhibitors with nanomolar antiviral activity against highly immune-evasive SARS-CoV-2 Omicron subvariants.
Emerg Microbes Infect, 12, 2023
8FY6
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SARS-CoV-2 main protease in complex with covalent inhibitor
分子名称: 3C-like proteinase nsp5, Nirmatrelvir (reacted form)
著者Fried, W, Chen, X.S.
登録日2023-01-25
公開日2023-08-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8FY7
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SARS-CoV-2 main protease in complex with covalent inhibitor
分子名称: 3C-like proteinase nsp5, 4-methoxy-N-[(2S)-4-methyl-1-oxo-1-({(2S)-1-[(3S)-2-oxopyrrolidin-3-yl]but-3-en-2-yl}amino)pentan-2-yl]-1H-indole-2-carboxamide
著者Fried, W, Chen, X.S.
登録日2023-01-25
公開日2023-08-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Alkyne as a Latent Warhead to Covalently Target SARS-CoV-2 Main Protease.
J.Med.Chem., 66, 2023
8GNH
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Complex structure of BD-218 and Spike protein
分子名称: 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 BD-218, ...
著者Wang, B, Xu, H, Su, X.D.
登録日2022-08-23
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.74 Å)
主引用文献Human antibody BD-218 has broad neutralizing activity against concerning variants of SARS-CoV-2.
Int.J.Biol.Macromol., 227, 2023
8GQT
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Structure of Mpro complexed with Quercetin
分子名称: 3,5,7,3',4'-PENTAHYDROXYFLAVONE, 3C-like proteinase nsp5
著者Dong, J, Yang, G.-F.
登録日2022-08-30
公開日2023-08-30
実験手法X-RAY DIFFRACTION (2.09 Å)
主引用文献Structure of Mpro complexed with Quercetin
To Be Published
8H7L
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Cryo-EM Structure of SARS-CoV-2 BA.2 Spike protein in complex with BA7535
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BA7535 fab heavt chain, ...
著者Liu, Z, Yan, A, Gao, Y.
登録日2022-10-20
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (2.44 Å)
主引用文献Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8H7Z
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Cryo-EM structure of SARS-CoV-2 BA.2 RBD in complex with BA7535 fab (local refinement)
分子名称: BA7535 fab, Spike glycoprotein
著者Liu, Z, Yan, A, Gao, Y.
登録日2022-10-21
公開日2023-08-30
最終更新日2024-03-13
実験手法ELECTRON MICROSCOPY (3.07 Å)
主引用文献Identification of a highly conserved neutralizing epitope within the RBD region of diverse SARS-CoV-2 variants.
Nat Commun, 15, 2024
8HFX
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Cryo-EM structure of SARS-CoV-2 Omicron BA.1 spike protein in complex with white-tailed deer ACE2
分子名称: 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, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.98 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HFY
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SARS-CoV-2 Omicron BA.1 spike protein receptor-binding domain in complex with white-tailed deer ACE2
分子名称: 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, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (3.21 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023
8HFZ
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Cryo-EM structure of SARS-CoV-2 prototype spike protein in complex with white-tailed deer ACE2
分子名称: 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, ...
著者Han, P, Meng, Y.M, Qi, J.X.
登録日2022-11-13
公開日2023-08-30
最終更新日2023-10-25
実験手法ELECTRON MICROSCOPY (2.71 Å)
主引用文献Structural basis of white-tailed deer, Odocoileus virginianus , ACE2 recognizing all the SARS-CoV-2 variants of concern with high affinity.
J.Virol., 97, 2023

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