4H7C

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 1-{4-[(2-methyl-1-piperidinyl)sulfonyl]phenyl}-2-pyrrolidinone

Summary for 4H7C

Entry DOI	10.2210/pdb4h7c/pdb
Descriptor	Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 1-(4-{[(2R)-2-methylpiperidin-1-yl]sulfonyl}phenyl)-1,3-dihydro-2H-pyrrol-2-one, ... (4 entities in total)
Functional Keywords	tim-barrel, aldo-keto reductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
Biological source	Homo sapiens (human)
Cellular location	Cytoplasm: P42330
Total number of polymer chains	1
Total formula weight	39041.18
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. (deposition date: 2012-09-20, release date: 2013-03-20, Last modification date: 2023-09-20)
Primary citation	Heinrich, D.M.,Flanagan, J.U.,Jamieson, S.M.,Silva, S.,Rigoreau, L.J.,Trivier, E.,Raynham, T.,Turnbull, A.P.,Denny, W.A. 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:738-744, 2013 Cited by PubMed: 23454516 DOI: 10.1016/j.ejmech.2013.01.047 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.97 Å)

Structure validation