9FFD

STRUCTURE OF ALDO-KETO REDUCTASE 1C3 (AKR1C3) IN COMPLEX WITH AN INHIBITOR MEDS765

これはPDB形式変換不可エントリーです。

9FFD の概要

• エントリーDOI: 10.2210/pdb9ffd/pdb
• 分子名称: Aldo-keto reductase family 1 member C3, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ~{N}-(4-bromanyl-2-methyl-phenyl)-2-[methyl-[(8-methyl-7-oxidanyl-2-oxidanylidene-chromen-4-yl)methyl]amino]ethanamide, ... (6 entities in total)
• 機能のキーワード: aldo-keto reductase, akr1c3, inhibitor, 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: 76799.56

構造登録者

Frydenvang, K.,Hussain, S.,Mirza, O.A. (登録日: 2024-05-23, 公開日: 2024-08-21, 最終更新日: 2024-08-28)

• 主引用文献: Pippione, A.C.,Vigato, C.,Tucciarello, C.,Hussain, S.,Salladini, E.,Truong, H.H.,Henriksen, N.M.,Vanzetti, G.,Giordano, G.,Zonari, D.,Mirza, O.A.,Frydenvang, K.,Pignochino, Y.,Oliaro-Bosso, S.,Boschi, D.,Lolli, M.L.; AI Based Discovery of a New AKR1C3 Inhibitor for Anticancer Applications.; Acs Med.Chem.Lett., 15:1269-1278, 2024; PubMed: 39140045; DOI: 10.1021/acsmedchemlett.4c00150

実験手法

X-RAY DIFFRACTION (1.75 Å)