4HMN

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

4HMN の概要

• エントリーDOI: 10.2210/pdb4hmn/pdb
• 分子名称: 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)
• 機能のキーワード: tim-barrel, aldo-keto reductase, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Cytoplasm: P42330
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 39092.63

構造登録者

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. (登録日: 2012-10-18, 公開日: 2013-11-13, 最終更新日: 2023-09-20)

• 主引用文献: 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

実験手法

X-RAY DIFFRACTION (2.4 Å)