8BBS

Structure of AKR1C3 in complex with a bile acid fused tetrazole inhibitor

8BBS の概要

• エントリーDOI: 10.2210/pdb8bbs/pdb
• 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (4~{R})-4-[(1~{R},2~{S},5~{R},6~{R},13~{S},14~{S},17~{R},19~{R})-6,14-dimethyl-17-oxidanyl-7,8,9,10-tetrazapentacyclo[11.8.0.0^{2,6}.0^{7,11}.0^{14,19}]henicosa-8,10-dien-5-yl]pentanoic acid, ... (5 entities in total)
• 機能のキーワード: akr1c3, aldo-keto reductase, steroid metabolism, bile acid, tetrazole, cancer, 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: 76931.90

構造登録者

Petri, E.T.,Skerlova, J.,Marinovic, M.,Brynda, J.,Kugler, M.,Skoric, D.,Bekic, S.,Celic, A.S.,Rezacova, P. (登録日: 2022-10-14, 公開日: 2023-03-08, 最終更新日: 2024-02-07)

• 主引用文献: Marinovic, M.A.,Bekic, S.S.,Kugler, M.,Brynda, J.,Skerlova, J.,Skoric, D.D.,Rezacova, P.,Petri, E.T.,Celic, A.S.; X-ray structure of human aldo-keto reductase 1C3 in complex with a bile acid fused tetrazole inhibitor: experimental validation, molecular docking and structural analysis.; Rsc Med Chem, 14:341-355, 2023; PubMed: 36846371; DOI: 10.1039/d2md00387b

実験手法

X-RAY DIFFRACTION (1.4 Å)