新型コロナウイルスの構造情報

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)

全エントリー (4138)代表構造 (1841)最新のエントリー (14)

6W63

Structure of COVID-19 main protease bound to potent broad-spectrum non-covalent inhibitor X77
分子名称:	3C-like proteinase, N-(4-tert-butylphenyl)-N-[(1R)-2-(cyclohexylamino)-2-oxo-1-(pyridin-3-yl)ethyl]-1H-imidazole-4-carboxamide
著者	Mesecar, A.D, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日	2020-03-16
公開日	2020-03-25
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.1 Å)
主引用文献	A taxonomically-driven approach to development of potent, broad-spectrum inhibitors of coronavirus main protease including SARS-CoV-2 (COVID-19) To Be Published

6W6Y

Crystal Structure of ADP ribose phosphatase of NSP3 from SARS CoV-2 in complex with AMP
分子名称:	2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ADENOSINE MONOPHOSPHATE, Non-structural protein 3
著者	Michalska, K, Kim, Y, Jedrzejczak, R, Maltseva, N, Endres, M, Mesecar, A, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日	2020-03-18
公開日	2020-03-25
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.451 Å)
主引用文献	Crystal structures of SARS-CoV-2 ADP-ribose phosphatase: from the apo form to ligand complexes. Iucrj, 7, 2020

6W75

1.95 Angstrom Resolution Crystal Structure of NSP10 - NSP16 Complex from SARS-CoV-2
分子名称:	2'-O-methyltransferase, FORMIC ACID, Non-structural protein 10, ...
著者	Minasov, G, Shuvalova, L, Rosas-Lemus, M, Kiryukhina, O, Wiersum, G, Godzik, A, Jaroszewski, L, Stogios, P.J, Skarina, T, Satchell, K.J.F, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日	2020-03-18
公開日	2020-03-25
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (1.951 Å)
主引用文献	High-resolution structures of the SARS-CoV-2 2'- O -methyltransferase reveal strategies for structure-based inhibitor design. Sci.Signal., 13, 2020

6YB7

SARS-CoV-2 main protease with unliganded active site (2019-nCoV, coronavirus disease 2019, COVID-19).
分子名称:	3C-like proteinase, DI(HYDROXYETHYL)ETHER, DIMETHYL SULFOXIDE
著者	Owen, C.D, Lukacik, P, Strain-Damerell, C.M, Douangamath, A, Powell, A.J, Fearon, D, Brandao-Neto, J, Crawshaw, A.D, Aragao, D, Williams, M, Flaig, R, Hall, D.R, McAuley, K.E, Mazzorana, M, Stuart, D.I, von Delft, F, Walsh, M.A.
登録日	2020-03-16
公開日	2020-03-25
最終更新日	2024-02-07
実験手法	X-RAY DIFFRACTION (1.25 Å)
主引用文献	COVID-19 main protease with unliganded active site To Be Published

5R8T

PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent (Weizman institute) fragment libraries
分子名称:	3C-like proteinase, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-03-03
公開日	2020-04-01
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.27 Å)
主引用文献	PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease fragment screening To Be Published

6M71

SARS-Cov-2 RNA-dependent RNA polymerase in complex with cofactors
分子名称:	Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase
著者	Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
登録日	2020-03-16
公開日	2020-04-01
最終更新日	2021-03-10
実験手法	ELECTRON MICROSCOPY (2.9 Å)
主引用文献	Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science, 368, 2020

6W9C

The crystal structure of papain-like protease of SARS CoV-2
分子名称:	CHLORIDE ION, Non-structural protein 3, ZINC ION
著者	Osipiuk, J, Jedrzejczak, R, Tesar, C, Endres, M, Stols, L, Babnigg, G, Kim, Y, Michalska, K, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日	2020-03-22
公開日	2020-04-01
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.7 Å)
主引用文献	The crystal structure of papain-like protease of SARS CoV-2 to be published

6W9Q

Peptide-bound SARS-CoV-2 Nsp9 RNA-replicase
分子名称:	3C-like proteinase peptide, Non-structural protein 9 fusion, PHOSPHATE ION
著者	Littler, D.R, Gully, B.S, Riboldi-Tunnicliffe, A, Rossjohn, J.
登録日	2020-03-23
公開日	2020-04-08
最終更新日	2023-10-18
実験手法	X-RAY DIFFRACTION (2.05 Å)
主引用文献	Crystal Structure of the SARS-CoV-2 Non-structural Protein 9, Nsp9. Iscience, 23, 2020

6YI3

The N-terminal RNA-binding domain of the SARS-CoV-2 nucleocapsid phosphoprotein
分子名称:	Nucleoprotein
著者	Veverka, V, Boura, E.
登録日	2020-03-31
公開日	2020-04-08
最終更新日	2023-06-14
実験手法	SOLUTION NMR
主引用文献	Structural basis of RNA recognition by the SARS-CoV-2 nucleocapsid phosphoprotein. Plos Pathog., 16, 2020

7BTF

SARS-CoV-2 RNA-dependent RNA polymerase in complex with cofactors in reduced condition
分子名称:	Non-structural protein 7, Non-structural protein 8, RNA-directed RNA polymerase, ...
著者	Gao, Y, Yan, L, Huang, Y, Liu, F, Cao, L, Wang, T, Wang, Q, Lou, Z, Rao, Z.
登録日	2020-04-01
公開日	2020-04-08
最終更新日	2024-03-27
実験手法	ELECTRON MICROSCOPY (2.95 Å)
主引用文献	Structure of the RNA-dependent RNA polymerase from COVID-19 virus. Science, 368, 2020

5RG1

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00024905
分子名称:	3C-like proteinase, DIMETHYL SULFOXIDE, Nalpha-acetyl-N-(3-bromoprop-2-yn-1-yl)-L-tyrosinamide
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-03-18
公開日	2020-04-15
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.65 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RG2

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025058
分子名称:	3C-like proteinase, DIMETHYL SULFOXIDE, N~2~-acetyl-N-prop-2-en-1-yl-D-allothreoninamide
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-03-18
公開日	2020-04-15
最終更新日	2021-02-24
実験手法	X-RAY DIFFRACTION (1.63 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RG3

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with NCL-00025412
分子名称:	3C-like proteinase, DIMETHYL SULFOXIDE, N~2~-acetyl-N~1~-prop-2-en-1-yl-L-aspartamide
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-03-18
公開日	2020-04-15
最終更新日	2021-02-24
実験手法	X-RAY DIFFRACTION (1.58 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGG

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z2856434890 (Mpro-x0165)
分子名称:	3C-like proteinase, 4-methyl-N-phenylpiperazine-1-carboxamide, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.26 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGH

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1619978933 (Mpro-x0395)
分子名称:	3C-like proteinase, 5-fluoro-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]-1,2,3,6-tetrahydropyridine, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.7 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGI

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z369936976 (Mpro-x0397)
分子名称:	3C-like proteinase, DIMETHYL SULFOXIDE, N'-cyclopropyl-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.57 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGJ

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1401276297 (Mpro-x0425)
分子名称:	(5S)-7-(pyrazin-2-yl)-2-oxa-7-azaspiro[4.4]nonane, 3C-like proteinase, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.34 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGK

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1310876699 (Mpro-x0426)
分子名称:	2-fluoro-N-[2-(pyridin-4-yl)ethyl]benzamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.43 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGL

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102962 (Mpro-x0705)
分子名称:	1-[4-(4-methylbenzene-1-carbonyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2021-02-24
実験手法	X-RAY DIFFRACTION (1.76 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGM

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102142 (Mpro-x0708)
分子名称:	3C-like proteinase, DIMETHYL SULFOXIDE, N'-acetyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbohydrazide
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2021-02-24
実験手法	X-RAY DIFFRACTION (2.04 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGN

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102759 (Mpro-x0731)
分子名称:	1-{4-[(4-methylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2021-02-24
実験手法	X-RAY DIFFRACTION (1.86 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGO

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102248 (Mpro-x0736)
分子名称:	1-[4-(furan-2-carbonyl)piperazin-1-yl]ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2021-02-24
実験手法	X-RAY DIFFRACTION (1.74 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGP

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with PCM-0102628 (Mpro-x0771)
分子名称:	1-{4-[(2,4-dimethylphenyl)sulfonyl]piperazin-1-yl}ethan-1-one, 3C-like proteinase, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2021-02-24
実験手法	X-RAY DIFFRACTION (2.07 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGQ

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z1849009686 (Mpro-x1086)
分子名称:	1-(4-fluoro-2-methylphenyl)methanesulfonamide, 3C-like proteinase, DIMETHYL SULFOXIDE
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (2.15 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

5RGR

PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z328695024 (Mpro-x1101)
分子名称:	3C-like proteinase, DIMETHYL SULFOXIDE, N,1-dimethyl-N-(propan-2-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-amine
著者	Fearon, D, Owen, C.D, Douangamath, A, Lukacik, P, Powell, A.J, Strain-Damerell, C.M, Resnick, E, Krojer, T, Gehrtz, P, Wild, C, Aimon, A, Brandao-Neto, J, Carbery, A, Dunnett, L, Skyner, R, Snee, M, London, N, Walsh, M.A, von Delft, F.
登録日	2020-04-07
公開日	2020-04-15
最終更新日	2024-03-06
実験手法	X-RAY DIFFRACTION (1.41 Å)
主引用文献	Crystallographic and electrophilic fragment screening of the SARS-CoV-2 main protease. Nat Commun, 11, 2020

<1 2 3 456 7 8 9 10 11 12 13 14 15 16 >

全ヒット件数:	4138
表示件数:	25
表示順	公開日の古い順