7X3M

Crystal structure of Aldo-keto reductase 1C3 complexed with compound S07045

7X3M の概要

• エントリーDOI: 10.2210/pdb7x3m/pdb
• 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (2~{R})-2-[4-[3,5-bis(chloranyl)phenyl]-3-(trifluoromethyl)phenyl]butanoic acid, ... (4 entities in total)
• 機能のキーワード: oxidoreductase, lipid metabolism, nad, nadp
• 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: 77711.41

構造登録者

Jiang, J.,Liu, Y.,He, S.,Chen, Y.,Chu, X.,Liu, Y.,Guo, Q.,Zhao, L.,Feng, F.,Liu, W.,Zhang, X.,Fang, P.,Sun, H. (登録日: 2022-03-01, 公開日: 2023-03-08, 最終更新日: 2023-11-29)

• 主引用文献: He, S.,Chu, X.,Wu, Y.,Jiang, J.,Fang, P.,Chen, Y.,Liu, Y.,Qiu, Z.,Xiao, Y.,Li, Z.,Pan, D.,Zhang, Q.,Xie, H.,Xing, S.,Feng, F.,Liu, W.,Guo, Q.,Zhao, L.,Yang, P.,Sun, H.; Development of Biaryl-Containing Aldo-Keto Reductase 1C3 (AKR1C3) Inhibitors for Reversing AKR1C3-Mediated Drug Resistance in Cancer Treatment.; J.Med.Chem., 66:9537-9560, 2023; PubMed: 37409679; DOI: 10.1021/acs.jmedchem.3c00213

実験手法

X-RAY DIFFRACTION (2.694 Å)