4HMN

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with (4-(4-Chlorophenyl)piperazin-1-yl)(morpholino)methanone (24)

Summary for 4HMN

• Entry DOI: 10.2210/pdb4hmn/pdb
• Descriptor: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [4-(4-chlorophenyl)piperazin-1-yl](morpholin-4-yl)methanone, ... (5 entities in total)
• Functional Keywords: tim-barrel, aldo-keto reductase, oxidoreductase, 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: 39092.63

Authors

Turnbull, A.P.,Flanagan, J.U.,Atwell, G.J.,Heinrich, D.M.,Jamieson, S.M.F.,Brooke, D.G.,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: 2012-10-18, release date: 2013-11-13, Last modification date: 2023-09-20)

• Primary citation: Flanagan, J.U.,Atwell, G.J.,Heinrich, D.M.,Brooke, D.G.,Silva, S.,Rigoreau, L.J.,Trivier, E.,Turnbull, A.P.,Raynham, T.,Jamieson, S.M.,Denny, W.A.; Morpholylureas are a new class of potent and selective inhibitors of the type 5 17-beta-hydroxysteroid dehydrogenase (AKR1C3).; Bioorg.Med.Chem., 22:967-977, 2014; PubMed: 24411201; DOI: 10.1016/j.bmc.2013.12.050

Experimental method

X-RAY DIFFRACTION (2.4 Å)