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4FA3
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BU of 4fa3 by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid (86)
Descriptor: (3R)-1-(naphthalen-2-ylsulfonyl)piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ACETATE ION, ...
Authors:Turnbull, A.P, Jamieson, S.M.F, Brooke, D.G, Heinrich, D, Atwell, G.J, Silva, S, Hamilton, E.J, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Flanagan, J.U, Denny, W.A.
Deposit date:2012-05-21
Release date:2012-10-10
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:3-(3,4-Dihydroisoquinolin-2(1H)-ylsulfonyl)benzoic acids; a New Class of Highly Potent and Selective Inhibitors of the Type 5 17-beta-hydroxysteroid Dehydrogenase AKR1C3
J.Med.Chem., 55, 2012
4H7C
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BU of 4h7c by Molmil
Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone
Descriptor: 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one, Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Turnbull, A.P, Heinrich, D, Jamieson, S.M.F, Flanagan, J.U, Silva, S, Rigoreau, L.J.M, Trivier, E, Soudy, C, Samlal, S.S, Owen, P.J, Schroeder, E, Raynham, T, Denny, W.A.
Deposit date:2012-09-20
Release date:2013-03-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Synthesis and structure-activity relationships for 1-(4-(piperidin-1-ylsulfonyl)phenyl)pyrrolidin-2-ones as novel non-carboxylate inhibitors of the aldo-keto reductase enzyme AKR1C3.
Eur.J.Med.Chem., 62C, 2013
3R43
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BU of 3r43 by Molmil
AKR1C3 complexed with mefenamic acid
Descriptor: 1,2-ETHANEDIOL, 2-[(2,3-DIMETHYLPHENYL)AMINO]BENZOIC ACID, Aldo-keto reductase family 1 member C3, ...
Authors:Squire, C.J, Teague, R.M, Yosaatmadja, L.
Deposit date:2011-03-17
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structures of three classes of non-steroidal anti-inflammatory drugs in complex with aldo-keto reductase 1C3.
Plos One, 7, 2012
4WKQ
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BU of 4wkq by Molmil
1.85 angstrom structure of EGFR kinase domain with gefitinib
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Epidermal growth factor receptor, Gefitinib, ...
Authors:Yosaatmadja, Y, Squire, C.J.
Deposit date:2014-10-03
Release date:2014-11-05
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:1.85 angstrom structure of EGFR kinase domain with gefitinib
To Be Published
3EE2
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BU of 3ee2 by Molmil
Structure of human prostaglandin D-synthase (hGSTS1-1) in complex with nocodazole
Descriptor: GLUTATHIONE, Glutathione-requiring prostaglandin D synthase, MAGNESIUM ION, ...
Authors:Oakley, A.J.
Deposit date:2008-09-04
Release date:2008-09-16
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Identification and characterisation of new inhibitors for the human hematopoietic prostaglandin D(2) synthase
Eur.J.Med.Chem., 45, 2010
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