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 Cited by PubMed: 24411201DOI: 10.1016/j.bmc.2013.12.050 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.4 Å) |
Structure validation
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