4DBW

Crystal structure of human 17beta-hydroxysteroid dehydrogenase type 5 (AKR1C3) in complex with NADP+ and 2'-desmethyl-indomethacin

4DBW の概要

• エントリーDOI: 10.2210/pdb4dbw/pdb
• 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [1-(4-chlorobenzoyl)-5-methoxy-1H-indol-3-yl]acetic acid, ... (4 entities in total)
• 機能のキーワード: castrate resistant prostate cancer, akr1c3 selective inhibitor, tim barrel, steroid metabolism, 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: 2
• 化学式量合計: 76654.28

構造登録者

Chen, M.,Christianson, D.W.,Marnett, L.J.,Penning, T.M. (登録日: 2012-01-16, 公開日: 2013-03-06, 最終更新日: 2023-09-13)

• 主引用文献: Liedtke, A.J.,Adeniji, A.O.,Chen, M.,Byrns, M.C.,Jin, Y.,Christianson, D.W.,Marnett, L.J.,Penning, T.M.; Development of potent and selective indomethacin analogues for the inhibition of AKR1C3 (Type 5 17 beta-hydroxysteroid dehydrogenase/prostaglandin F synthase) in castrate-resistant prostate cancer.; J.Med.Chem., 56:2429-2446, 2013; PubMed: 23432095; DOI: 10.1021/jm3017656

実験手法

X-RAY DIFFRACTION (1.802 Å)