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新型コロナウイルスの構造情報

このページの他言語版もあります: English简体中文繁體中文한국어
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
全エントリー (5214)代表構造 (2274)最新のエントリー (7)
7I16
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BU of 7i16 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C07 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3,4-dihydro-1~{H}-quinolin-2-one, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2.13 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I17
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BU of 7i17 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment C10 from the F2X-Entry Screen in orthorhombic space group
分子名称: 1,3-benzodioxole-5-carbothioamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I18
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BU of 7i18 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D04 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I19
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BU of 7i19 by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D08 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1A
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BU of 7i1a by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment D11 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3-(1,3-thiazol-2-yl)propanoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1C
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BU of 7i1c by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment E11 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, [2-(morpholin-4-yl)-1,3-thiazol-5-yl]methanol
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1D
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BU of 7i1d by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment F04 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1E
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BU of 7i1e by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G03 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3-ethoxybenzene-1-carboximidamide, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1F
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BU of 7i1f by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G04 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1G
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BU of 7i1g by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G09 from the F2X-Entry Screen in orthorhombic space group
分子名称: (2R)-2-(acetylamino)-4-phenylbutanoic acid, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1H
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BU of 7i1h by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment G10 from the F2X-Entry Screen in orthorhombic space group
分子名称: 1-phenyl-1H-tetrazole, 3C-like proteinase nsp5, CHLORIDE ION, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1I
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BU of 7i1i by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment H03 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
7I1J
DownloadVisualize
BU of 7i1j by Molmil
PanDDA analysis group deposition -- Main Protease (SARS-CoV-2) in complex with fragment H11 from the F2X-Entry Screen in orthorhombic space group
分子名称: 3C-like proteinase nsp5, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Barthel, T, Benz, L.S, Wollenhaupt, J, Weiss, M.S.
登録日2025-02-03
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Orthorhombic SARS-CoV-2 main protease crystals provide higher success rate in fragment screening
To be published
9BTE
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BU of 9bte by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor CID5573_0017
分子名称: 3C-like proteinase nsp5, 4-[5-[4-[oxidanyl(oxidanylidene)-$l^{4}-azanyl]-1,2,5-oxadiazol-3-yl]-1~{H}-1,2,4-triazol-3-yl]-1,2,5-oxadiazole-3-thiol
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-15
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BTF
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BU of 9btf by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor SR-B-77
分子名称: (1R,2S,5S)-N-[(1R)-1-(5-fluoropyridin-3-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-15
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BTK
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BU of 9btk by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor YR-C-108T
分子名称: (1R,2S,5R)-N-[(1R)-2-imino-1-(isoquinolin-4-yl)ethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-15
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BTR
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BU of 9btr by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor YR-C-163
分子名称: 2-chloro-N-[(3P)-3-(5-chloro-2-methyl-2H-indazol-7-yl)phenyl]-N-(5-chloropyridin-3-yl)acetamide, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-15
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BTT
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BU of 9btt by Molmil
Structure of the SARS-CoV-2 main protease in complex with inhibitor SR-B-51T
分子名称: (1R,2S,5S)-N-[(1R)-1-(5-chloropyridin-3-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Blankenship, L.R, Liu, W.R.
登録日2024-05-15
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the SARS-CoV-2 main protease
To Be Published
9BVW
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BU of 9bvw by Molmil
SARS-CoV-2 main protease bound to inhibitor SR-B-103
分子名称: (1R,2S,5R)-N-[(1R)-1-(8-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-D-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Liu, W.R, Blankenship, L.R.
登録日2024-05-20
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SARS-CoV-2 main protease
To Be Published
9BVX
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BU of 9bvx by Molmil
SARS-CoV-2 main protease bound to inhibitor YR-C-155
分子名称: (1R,2S,5R)-N-[(1R)-1-(5-fluoroisoquinolin-4-yl)-2-iminoethyl]-6,6-dimethyl-3-[3-methyl-N-(trifluoroacetyl)-L-valyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5
著者Liu, W.R, Blankenship, L.R.
登録日2024-05-20
公開日2025-05-21
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献SARS-CoV-2 main protease
To Be Published
9BVZ
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BU of 9bvz by Molmil
SARS-CoV-2 main protease bound to inhibitor AR-A-135
分子名称: 3C-like proteinase nsp5, [2-(iminomethyl)pyridin-3-yl]boronic acid
著者Liu, W.R, Blankenship, L.R.
登録日2024-05-20
公開日2025-05-21
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献SARS-CoV-2 main protease
To Be Published
9D6B
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BU of 9d6b by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodmain in complex with AVI-607
分子名称: 2-[(2R)-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-2-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-14
公開日2025-05-21
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
9D6G
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BU of 9d6g by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-3716
分子名称: DIMETHYL SULFOXIDE, Non-structural protein 3, [(2R,3S)-3-methyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-05-21
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (1 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
9D6H
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BU of 9d6h by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-1504
分子名称: (2R)-3-methyl-2-[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]butan-1-ol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-05-21
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (1.02 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025
9D6I
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BU of 9d6i by Molmil
Crystal structure of SARS-CoV-2 NSP3 macrodomain in complex with AVI-4317
分子名称: (3R)-3-hydroxy-3-{[(7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]methyl}-1lambda~6~-thiane-1,1-dione, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Correy, G.J, Fraser, J.S.
登録日2024-08-15
公開日2025-05-21
最終更新日2025-06-11
実験手法X-RAY DIFFRACTION (0.97 Å)
主引用文献Exploration of structure-activity relationships for the SARS-CoV-2 macrodomain from shape-based fragment linking and active learning.
Sci Adv, 11, 2025

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件を2025-07-23に公開中

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