6GXK

Crystal structure of Aldo-Keto Reductase 1C3 (AKR1C3) complexed with inhibitor.

6GXK の概要

• エントリーDOI: 10.2210/pdb6gxk/pdb
• 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 4-[[1-(4-chlorophenyl)carbonyl-5-methoxy-2-methyl-indol-3-yl]methyl]-1,2,5-oxadiazol-3-one, ... (5 entities in total)
• 機能のキーワード: aldo-keto reductase 1c3, akr1c3, 17betahsd5, prostate cancer, crpc, bioisosterism, scaffold hopping, inhibitors, oxidoreductase
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 76323.14

構造登録者

Goyal, P.,Wahlgren, W.Y.,Friemann, R. (登録日: 2018-06-27, 公開日: 2019-05-08, 最終更新日: 2024-05-15)

• 主引用文献: Lolli, M.L.,Carnovale, I.M.,Pippione, A.C.,Wahlgren, W.Y.,Bonanni, D.,Marini, E.,Zonari, D.,Gallicchio, M.,Boscaro, V.,Goyal, P.,Friemann, R.,Rolando, B.,Bagnati, R.,Adinolfi, S.,Oliaro-Bosso, S.,Boschi, D.; Bioisosteres of Indomethacin as Inhibitors of Aldo-Keto Reductase 1C3.; Acs Med.Chem.Lett., 10:437-443, 2019; PubMed: 30996776; DOI: 10.1021/acsmedchemlett.8b00484

実験手法

X-RAY DIFFRACTION (1.7 Å)