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PDB: 110 results
2YJC
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BU of 2yjc by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
Descriptor: (2S,4R)-1-[1-(4-chlorophenyl)cyclopropyl]carbonyl-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]pyrrolidine-2-carboxamide, CATHEPSIN L1
Authors:Banner, D.W, Benz, J.M, Haap, W.
Deposit date:2011-05-19
Release date:2011-11-23
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
2YJ8
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BU of 2yj8 by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
Descriptor: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-(4-iodophenyl)cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL
Authors:Banner, D.W, Benz, J.M, Haap, W.
Deposit date:2011-05-19
Release date:2011-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
2YJB
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BU of 2yjb by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
Descriptor: (2S,4R)-4-(2-chlorophenyl)sulfonyl-N-[1-(iminomethyl)cyclopropyl]-1-[1-[4-(trifluoromethyl)phenyl]cyclopropyl]carbonyl-pyrrolidine-2-carboxamide, CATHEPSIN L1, GLYCEROL
Authors:Banner, D.W, Benz, J.M, Haap, W.
Deposit date:2011-05-19
Release date:2011-11-23
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
2YJ2
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BU of 2yj2 by Molmil
CATHEPSIN L WITH A NITRILE INHIBITOR
Descriptor: (2S,4R)-1-[1-(4-BROMOPHENYL)CYCLOPROPYL]CARBONYL-4-(2-CHLOROPHENYL)SULFONYL-N-[1-(IMINOMETHYL)CYCLOPROPYL]PYRROLIDINE-2-CARBOXAMIDE, CATHEPSIN L1, GLYCEROL
Authors:Banner, D.W, Benz, J.M, Haap, W.
Deposit date:2011-05-18
Release date:2011-11-23
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Halogen Bonding at the Active Sites of Human Cathepsin L and Mek1 Kinase: Efficient Interactions in Different Environments.
Chemmedchem, 6, 2011
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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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
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
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
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
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)
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
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
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
7H67
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BU of 7h67 by Molmil
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
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
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal structures of human Chymase and Cathepsin G
To be published
7H60
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BU of 7h60 by Molmil
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
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
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
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
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
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
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
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)
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
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
7H6H
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BU of 7h6h by Molmil
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
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
2V3O
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BU of 2v3o by Molmil
Thrombin with 3-cycle with F
Descriptor: (2R)-[(4-CARBAMIMIDOYLPHENYL)AMINO]{3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYL-2-FLUOROPHENYL}ETHANOIC ACID, CALCIUM ION, HIRUDIN IIA, ...
Authors:Banner, D.W, Wessel, H.P.
Deposit date:2007-06-19
Release date:2008-06-24
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fluorine in Pharmaceuticals: Looking Beyond Intuition.
Science, 317, 2007
2V3H
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BU of 2v3h by Molmil
Thrombin with 3-cycle no F
Descriptor: (2R)-({4-[AMINO(IMINO)METHYL]PHENYL}AMINO){3-[3-(DIMETHYLAMINO)-2,2-DIMETHYLPROPOXY]-5-ETHYLPHENYL}ACETIC ACID, CALCIUM ION, HIRUDIN IIA, ...
Authors:Banner, D.W, Obst, U.
Deposit date:2007-06-18
Release date:2008-06-24
Last modified:2025-04-09
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Fluorine in Pharmaceuticals: Looking Beyond Intuition.
Science, 317, 2007

234785

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