4FAL

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 in complex with 3-((3,4-dihydroisoquinolin-2(1H)-yl)sulfonyl)-N-methylbenzamide (80)

4FAL の概要

• エントリーDOI: 10.2210/pdb4fal/pdb
• 関連するPDBエントリー: 4FA3 4FAM
• 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 3-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)-N-methylbenzamide, ... (5 entities in total)
• 機能のキーワード: aldo-keto reductase, 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: 39237.38

構造登録者

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. (登録日: 2012-05-22, 公開日: 2012-10-10, 最終更新日: 2023-09-13)

• 主引用文献: Jamieson, S.M.,Brooke, D.G.,Heinrich, D.,Atwell, G.J.,Silva, S.,Hamilton, E.J.,Turnbull, A.P.,Rigoreau, L.J.,Trivier, E.,Soudy, C.,Samlal, S.S.,Owen, P.J.,Schroeder, E.,Raynham, T.,Flanagan, J.U.,Denny, W.A.; 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., 55:7746-7758, 2012; PubMed: 22877157; DOI: 10.1021/jm3007867

実験手法

X-RAY DIFFRACTION (2 Å)