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PDB形式変換不可の PDB エントリー
7H4I
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BU of 7h4i by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z55993012 (A71EV2A-x0863)
分子名称: 4-amino-N,N-diethylbenzamide, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H4N
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BU of 7h4n by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z19733482 (A71EV2A-x0922)
分子名称: DIMETHYL SULFOXIDE, N,N-dimethyl-2-(2-methylphenoxy)acetamide, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H4V
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BU of 7h4v by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z57663553 (A71EV2A-x1128)
分子名称: 5-phenyl-1,3,4-oxadiazol-2-ol, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H4W
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BU of 7h4w by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z56042334 (A71EV2A-x1140)
分子名称: 1-(2-chlorophenyl)-2-(pyrrolidin-1-yl)ethan-1-one, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H4X
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BU of 7h4x by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z969111002 (A71EV2A-x1145)
分子名称: (3R)-3-[(4-fluorophenyl)methyl]piperidine, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.51 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H50
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BU of 7h50 by Molmil
Group deposition for crystallographic fragment screening of Coxsackievirus A16 (G-10) 2A protease -- Crystal structure of Coxsackievirus A16 (G-10) 2A protease in complex with Z1143441220 (A71EV2A-x1169)
分子名称: 1,3-oxazole-4-carbonitrile, DIMETHYL SULFOXIDE, Protease 2A, ...
著者Lithgo, R.M, Fairhead, M, Koekemoer, L, Balcomb, B.H, Capkin, E, Chandran, A.V, Golding, M, Godoy, A.S, Aschenbrenner, J.C, Marples, P.G, Ni, X, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
登録日2024-04-04
公開日2024-04-24
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.06 Å)
主引用文献Crystallographic Fragment Screen of Coxsackievirus A16 2A Protease identifies new opportunities for the development of broad-spectrum anti-enterovirals.
Biorxiv, 2024
7H60
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THE 1.875 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 3-[[ethoxycarbonyl(methyl)amino]methyl]-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid - ZN CRYSTAL FORM
分子名称: 3-{[(ethoxycarbonyl)(methyl)amino]methyl}-5-fluoro-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H61
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THE 1.76 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH N-[2-[6-ethyl-2-[(2-hydroxy-5-oxo-3-phenylcyclopenten-1-yl)-phenylmethyl]-1H-indol-3-yl]ethyl]acetamide
分子名称: Chymase, DIMETHYL SULFOXIDE, N-(2-{6-ethyl-2-[(R)-[(3R)-2-hydroxy-5-oxo-3-phenylcyclopent-1-en-1-yl](phenyl)methyl]-1H-indol-3-yl}ethyl)acetamide, ...
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H62
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THE 1.61 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 5-fluoro-3-methyl-N-[4-pyridin-4-yl-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-sulfonamide
分子名称: 5-fluoro-3-methyl-N-[4-(pyridin-4-yl)-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-sulfonamide, Chymase, ZINC ION
著者Banner, D.W, Benz, J.M, Schlatter, D, Wessel, H.P.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H63
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THE 1.65 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 4-[(5-fluoro-3-propan-2-yl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2-propan-2-yl-1,2-dihydropyrrol-5-one (VINYLOGOUS ACID)
分子名称: (5S)-3-[(S)-[5-fluoro-3-(propan-2-yl)-1H-indol-2-yl](phenyl)methyl]-4-hydroxy-5-(propan-2-yl)-1,5-dihydro-2H-pyrrol-2-one, Chymase, DIMETHYL SULFOXIDE, ...
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
最終更新日2025-06-18
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H64
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THE 1.68 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 5-fluoro-3-[(methoxycarbonylamino)methyl]-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
分子名称: 5-fluoro-3-{[(methoxycarbonyl)amino]methyl}-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, DIMETHYL SULFOXIDE, ...
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H65
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BU of 7h65 by Molmil
THE 1.8 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH N-[1-[2-[[2-hydroxy-3-methyl-3-(4-methylphenyl)-4-oxocyclobuten-1-yl]-phenylmethyl]-6-methyl-1H-indol-3-yl]-2-methylpropan-2-yl]acetamide
分子名称: Chymase, DIMETHYL SULFOXIDE, N-(1-{2-[(S)-[(3S)-2-hydroxy-3-methyl-3-(4-methylphenyl)-4-oxocyclobut-1-en-1-yl](phenyl)methyl]-6-methyl-1H-indol-3-yl}-2-methylpropan-2-yl)acetamide, ...
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H66
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BU of 7h66 by Molmil
THE 1.13 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 3-hydroxy-4-methyl-2-[naphthalen-2-yl(phenyl)methyl]-4-phenylcyclobut-2-en-1-one
分子名称: (4S)-3-hydroxy-4-methyl-2-[(S)-(naphthalen-2-yl)(phenyl)methyl]-4-phenylcyclobut-2-en-1-one, Chymase, ZINC ION
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H67
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THE 1.35 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 2-[(3,5-dimethyl-1-benzothiophen-2-yl)-phenylmethyl]-3-hydroxy-4-methyl-4-phenylcyclobut-2-en-1-one
分子名称: (4S)-2-[(R)-(3,5-dimethyl-1-benzothiophen-2-yl)(phenyl)methyl]-3-hydroxy-4-methyl-4-phenylcyclobut-2-en-1-one, Chymase, ZINC ION
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H68
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THE 1.25 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH (2R)-2-benzyl-4-[(R)-(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2H-furan-5-one
分子名称: (5R)-5-benzyl-3-[(R)-(5-fluoro-3-methyl-1H-indol-2-yl)(phenyl)methyl]-4-hydroxyfuran-2(5H)-one, CHLORIDE ION, Chymase, ...
著者Banner, D.W, Benz, J.M, Joseph, C, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H69
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BU of 7h69 by Molmil
THE 1.67 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid
分子名称: 1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, DIMETHYL SULFOXIDE, ...
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H6A
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THE 1.68 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 3-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid (2-carboxy indole)
分子名称: 3-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, DIMETHYL SULFOXIDE, ...
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H6B
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BU of 7h6b by Molmil
THE 2.17 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH methyl 4-[(5-fluoro-3-methyl-1-benzothiophen-2-yl)sulfonylamino]-3-methylsulfonylbenzoate (TOA EIYO INHIBITOR)
分子名称: Chymase, methyl 4-(5-fluoro-3-methyl-1-benzothiophene-2-sulfonamido)-3-(methanesulfonyl)benzoate
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H6C
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BU of 7h6c by Molmil
THE 1.60 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 1-(2-methoxyethyl)-3-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
分子名称: 1-(2-methoxyethyl)-3-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H6D
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BU of 7h6d by Molmil
THE 1.64 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 1-[(8-methylnaphthalen-1-yl)methyl]indole-2-carboxylic acid
分子名称: 1-[(8-methylnaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H6E
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BU of 7h6e by Molmil
THE 2.0 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 5-fluoro-3-methyl-N-(2-methylsulfonyl-4-pyridin-4-ylphenyl)-1-benzothiophene-2-sulfonamide
分子名称: 5-fluoro-N-[2-(methanesulfonyl)-4-(pyridin-4-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide, Chymase, ZINC ION
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H6F
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BU of 7h6f by Molmil
THE 1.25 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 3-[2-(dimethylamino)-2-oxoethyl]-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]indole-2-carboxylic acid (INDOLE 2-CARBOXYLIC ACID)
分子名称: 3-[2-(dimethylamino)-2-oxoethyl]-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.25 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H6G
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THE 1.21 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH N-[2-[6-fluoro-2-[(4-hydroxy-5-methyl-2-oxo-5-phenylfuran-3-yl)-phenylmethyl]-1H-indol-3-yl]ethyl]acetamide
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Cathepsin G, N-(2-{6-fluoro-2-[(R)-[(5R)-4-hydroxy-5-methyl-2-oxo-5-phenyl-2,5-dihydrofuran-3-yl](phenyl)methyl]-1H-indol-3-yl}ethyl)acetamide, ...
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.21 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H6H
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THE 1.94 A CRYSTAL STRUCTURE OF HUMAN CATHEPSIN G IN COMPLEX WITH 1-[(7-fluoronaphthalen-1-yl)methyl]-3-[[methoxycarbonyl(methyl)amino]methyl]indole-2-carboxylic acid
分子名称: 1-[(7-fluoronaphthalen-1-yl)methyl]-3-{[(methoxycarbonyl)(methyl)amino]methyl}-1H-indole-2-carboxylic acid, Cathepsin G, SULFATE ION, ...
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published
7H6I
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THE 2.10 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 5-fluoro-3-(methanesulfonamidomethyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
分子名称: 5-fluoro-3-[(methanesulfonamido)methyl]-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
著者Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
登録日2024-04-19
公開日2025-03-05
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structures of human Chymase and Cathepsin G
To be published

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件を2025-08-27に公開中

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