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PDB: 25 results
2GTK
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BU of 2gtk by Molmil
Structure-based Design of Indole Propionic Acids as Novel PPARag CO-Agonists
Descriptor: (2S)-3-(1-{[2-(2-CHLOROPHENYL)-5-METHYL-1,3-OXAZOL-4-YL]METHYL}-1H-INDOL-5-YL)-2-ETHOXYPROPANOIC ACID, Decamer from Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Kuhn, B, Hilpert, H, Benz, J, Binggeli, A, Grether, U, Humm, R, Maerki, H.-P, Meyer, M, Mohr, P.
Deposit date:2006-04-28
Release date:2006-09-26
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structure-based design of indole propionic acids as novel PPARalpha/gamma co-agonists
Bioorg.Med.Chem.Lett., 16, 2006
4BSQ
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BU of 4bsq by Molmil
MOUSE CATHEPSIN S WITH COVALENT LIGAND
Descriptor: (1R,2R,4R)-N-(2-azanylideneethyl)-2-morpholin-4-ylcarbonyl-4-(phenylsulfonyl)cyclopentane-1-carboxamide, CATHEPSIN S, SULFATE ION
Authors:Banner, D.W, Benz, J, Gsell, B, Stihle, M, Ruf, A, Hilpert, H.
Deposit date:2013-06-11
Release date:2013-11-27
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Identification of Potent and Selective Cathepsin S (Cats) Inhibitors Containing Different Central Cyclic Scaffolds.
J.Med.Chem., 56, 2013
3FEI
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BU of 3fei by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
Descriptor: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peptide motif 5 of Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M, Schlatter, D.
Deposit date:2008-11-30
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
3FEJ
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BU of 3fej by Molmil
Design and biological evaluation of novel, balanced dual PPARa/g agonists
Descriptor: (2S)-3-(4-{[2-(4-chlorophenyl)-1,3-thiazol-4-yl]methoxy}-2-methylphenyl)-2-ethoxypropanoic acid, Peroxisome proliferator-activated receptor gamma, peptide motif 3 of Nuclear receptor coactivator 1
Authors:Benz, J, Grether, U, Gsell, B, Binggeli, A, Hilpert, H, Kuhn, B, Maerki, H.P, Mohr, P, Ruf, A, Stihle, M.
Deposit date:2008-11-30
Release date:2009-10-20
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Design and biological evaluation of novel, balanced dual PPARalpha/gamma agonists
Chemmedchem, 4, 2009
3G8I
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BU of 3g8i by Molmil
Aleglitazar, a new, potent, and balanced PPAR alpha/gamma agonist for the treatment of type II diabetes
Descriptor: (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor alpha
Authors:Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puentener, K, Raab, S, Ruf, A, Schlatter, D, Gsell, B, Stihle, M, Mohr, P.
Deposit date:2009-02-12
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
3G9E
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BU of 3g9e by Molmil
Aleglitaar. a new. potent, and balanced dual ppara/g agonist for the treatment of type II diabetes
Descriptor: (2S)-2-methoxy-3-{4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl}propanoic acid, Nuclear receptor coactivator 1, Peroxisome proliferator-activated receptor gamma
Authors:Ruf, A, Benz, J, Bernardeau, A, Binggeli, A, Blum, D, Boehringer, M, Grether, U, Hilpert, H, Kuhn, B, Maerki, H.P, Meyer, M, Puenterner, K, Raab, S, Schlatter, D, Gsell, B, Stihle, M, Mohr, P.
Deposit date:2009-02-13
Release date:2009-06-02
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Aleglitazar, a new, potent, and balanced dual PPARalpha/gamma agonist for the treatment of type II diabetes.
Bioorg.Med.Chem.Lett., 19, 2009
3ZKX
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BU of 3zkx by Molmil
TERNARY BACE2 XAPERONE COMPLEX
Descriptor: BETA-SECRETASE 2, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Kuglstatter, A, Banner, D.W, Benz, J, Bertschinger, J, Burger, D, Cuppuleri, S, Debulpaep, M, Gast, A, Grabulovski, D, Gsell, B, Hilpert, H, Huber, W, Kusznir, E, Laeremans, T, Matile, H, Rufer, A, Schlatter, D, Steyeart, J, Stihle, M, Thoma, R, Weber, M, Ruf, A.
Deposit date:2013-01-25
Release date:2013-05-29
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Mapping the Conformational Space Accessible to Bace2 Using Surface Mutants and Co-Crystals with Fab-Fragments, Fynomers, and Xaperones
Acta Crystallogr.,Sect.D, 69, 2013
7H68
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BU of 7h68 by Molmil
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
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
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
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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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
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
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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BU of 7h63 by Molmil
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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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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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
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
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
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
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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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

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