6Q6F

Crystal structure of IDH1 R132H in complex with HMS101

6Q6F の概要

• エントリーDOI: 10.2210/pdb6q6f/pdb
• 分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, (2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine (2 entities in total)
• 機能のキーワード: inhibitor, isocitrate dehydrogenase, mutant r132h, cytoplasmic, 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: 94013.22

構造登録者

Chaturvedi, A.,Goparaju, R.,Gupta, C.,Kluenemann, T.,Araujo Cruz, M.M.,Kloos, A.,Goerlich, K.,Schottmann, R.,Struys, E.A.,Ganser, A.,Preller, M.,Heuser, M. (登録日: 2018-12-10, 公開日: 2019-10-16, 最終更新日: 2024-01-24)

• 主引用文献: Chaturvedi, A.,Goparaju, R.,Gupta, C.,Weder, J.,Klunemann, T.,Araujo Cruz, M.M.,Kloos, A.,Goerlich, K.,Schottmann, R.,Othman, B.,Struys, E.A.,Bahre, H.,Grote-Koska, D.,Brand, K.,Ganser, A.,Preller, M.,Heuser, M.; In vivo efficacy of mutant IDH1 inhibitor HMS-101 and structural resolution of distinct binding site.; Leukemia, 34:416-426, 2020; PubMed: 31586149; DOI: 10.1038/s41375-019-0582-x

実験手法

X-RAY DIFFRACTION (3.3 Å)