5OUJ

Crystal structure of human AKR1B1 complexed with NADP+ and compound 39

5OUJ の概要

• エントリーDOI: 10.2210/pdb5ouj/pdb
• 関連するPDBエントリー: 4IGS 5OU0 5OUK
• 分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 2-[(1~{R})-5-(4-chlorophenyl)-9-fluoranyl-3-methyl-1-oxidanyl-1~{H}-pyrimido[4,5-c]quinolin-2-yl]ethanoic acid, ... (4 entities in total)
• 機能のキーワード: alpha-beta tim barrel, cytosol, aldo-keto reductase, pyrimido[4, 5-c]quinolone-2-acetic acid scaffold, oxidoreductase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm: P15121
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 37041.55

構造登録者

Cousido-Siah, A.,Ruiz, F.X.,Mitschler, A.,Metwally, K.,Podjarny, A. (登録日: 2017-08-24, 公開日: 2018-05-09, 最終更新日: 2024-01-17)

• 主引用文献: Crespo, I.,Gimenez-Dejoz, J.,Porte, S.,Cousido-Siah, A.,Mitschler, A.,Podjarny, A.,Pratsinis, H.,Kletsas, D.,Pares, X.,Ruiz, F.X.,Metwally, K.,Farres, J.; Design, synthesis, structure-activity relationships and X-ray structural studies of novel 1-oxopyrimido[4,5-c]quinoline-2-acetic acid derivatives as selective and potent inhibitors of human aldose reductase.; Eur J Med Chem, 152:160-174, 2018; PubMed: 29705708; DOI: 10.1016/j.ejmech.2018.04.015

実験手法

X-RAY DIFFRACTION (0.96 Å)