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7H4X
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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)
Descriptor: (3R)-3-[(4-fluorophenyl)methyl]piperidine, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors: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.
Deposit date:2024-04-04
Release date:2024-04-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.51 Å)
Cite: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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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)
Descriptor: 1,3-oxazole-4-carbonitrile, DIMETHYL SULFOXIDE, Protease 2A, ...
Authors: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.
Deposit date:2024-04-04
Release date:2024-04-24
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.06 Å)
Cite: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
Descriptor: 3-{[(ethoxycarbonyl)(methyl)amino]methyl}-5-fluoro-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H61
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BU of 7h61 by Molmil
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
Descriptor: 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, ...
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H62
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BU of 7h62 by Molmil
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
Descriptor: 5-fluoro-3-methyl-N-[4-(pyridin-4-yl)-2-(trifluoromethyl)phenyl]-1-benzothiophene-2-sulfonamide, Chymase, ZINC ION
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Wessel, H.P.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.61 Å)
Cite: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)
Descriptor: (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, ...
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Last modified:2025-06-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H64
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BU of 7h64 by Molmil
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
Descriptor: 5-fluoro-3-{[(methoxycarbonyl)amino]methyl}-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, DIMETHYL SULFOXIDE, ...
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H65
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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
Descriptor: 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, ...
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H66
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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
Descriptor: (4S)-3-hydroxy-4-methyl-2-[(S)-(naphthalen-2-yl)(phenyl)methyl]-4-phenylcyclobut-2-en-1-one, Chymase, ZINC ION
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.13 Å)
Cite: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
Descriptor: (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
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.35 Å)
Cite: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
Descriptor: (5R)-5-benzyl-3-[(R)-(5-fluoro-3-methyl-1H-indol-2-yl)(phenyl)methyl]-4-hydroxyfuran-2(5H)-one, CHLORIDE ION, Chymase, ...
Authors:Banner, D.W, Benz, J.M, Joseph, C, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H69
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THE 1.67 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 1-[(7-fluoronaphthalen-1-yl)methyl]indole-2-carboxylic acid
Descriptor: 1-[(7-fluoronaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, DIMETHYL SULFOXIDE, ...
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H6A
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BU of 7h6a by Molmil
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)
Descriptor: 3-[2-(dimethylamino)-2-oxoethyl]-5-fluoro-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, DIMETHYL SULFOXIDE, ...
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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)
Descriptor: Chymase, methyl 4-(5-fluoro-3-methyl-1-benzothiophene-2-sulfonamido)-3-(methanesulfonyl)benzoate
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H6C
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THE 1.60 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 1-(2-methoxyethyl)-3-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
Descriptor: 1-(2-methoxyethyl)-3-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.61 Å)
Cite: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
Descriptor: 1-[(8-methylnaphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.64 Å)
Cite: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
Descriptor: 5-fluoro-N-[2-(methanesulfonyl)-4-(pyridin-4-yl)phenyl]-3-methyl-1-benzothiophene-2-sulfonamide, Chymase, ZINC ION
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H6F
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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)
Descriptor: 3-[2-(dimethylamino)-2-oxoethyl]-1-[(5-fluoro-1-benzothiophen-3-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.25 Å)
Cite: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
Descriptor: 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, ...
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.21 Å)
Cite: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
Descriptor: 1-[(7-fluoronaphthalen-1-yl)methyl]-3-{[(methoxycarbonyl)(methyl)amino]methyl}-1H-indole-2-carboxylic acid, Cathepsin G, SULFATE ION, ...
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H6I
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BU of 7h6i by Molmil
THE 2.10 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH 5-fluoro-3-(methanesulfonamidomethyl)-1-(naphthalen-1-ylmethyl)indole-2-carboxylic acid
Descriptor: 5-fluoro-3-[(methanesulfonamido)methyl]-1-[(naphthalen-1-yl)methyl]-1H-indole-2-carboxylic acid, Chymase, ZINC ION
Authors:Banner, D.W, Benz, J.M, Schlatter, D, Hilpert, H.
Deposit date:2024-04-19
Release date:2025-03-05
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H6O
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1102357527 (CHIKV_MacB-x0300)
Descriptor: CHLORIDE ION, DIMETHYL SULFOXIDE, N-[(3R)-6-oxopiperidin-3-yl]-1,3-thiazole-4-carboxamide, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6R
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1154747269 (CHIKV_MacB-x0314)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 3-(2-hydroxyethyl)pyrimidin-4(3H)-one, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6S
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1162778919 (CHIKV_MacB-x0316)
Descriptor: 1-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2(1H)-one, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published
7H6T
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Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain -- Crystal structure of Chikungunya virus nsP3 macrodomain in complex with Z1165350851 (CHIKV_MacB-x0317)
Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 4-(2-hydroxyethyl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one, CHLORIDE ION, ...
Authors:Aschenbrenner, J.C, Fairhead, M, Godoy, A.S, Balcomb, B.H, Capkin, E, Chandran, A.V, Dolci, I, Golding, M, Koekemoer, L, Lithgo, R.M, Marples, P.G, Ni, X, Oliva, G, Thompson, W, Tomlinson, C.W.E, Wild, C, Winokan, M, Xavier, M.-A.E, Fearon, D, von Delft, F.
Deposit date:2024-04-26
Release date:2024-05-29
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:Group deposition for crystallographic fragment screening of Chikungunya virus nsP3 macrodomain
To Be Published

238268

PDB entries from 2025-07-02

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