7PJN

Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B

7PJN の概要

• エントリーDOI: 10.2210/pdb7pjn/pdb
• 分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, ... (7 entities in total)
• 機能のキーワード: oxidoreductase
• 由来する生物種: Homo sapiens (Human); 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 197859.61

構造登録者

Reinbold, R.,Rabe, P.,Abboud, M.I.,Schofield, C.J.,Clifton, I.J. (登録日: 2021-08-24, 公開日: 2022-07-13, 最終更新日: 2024-01-31)

• 主引用文献: Reinbold, R.,Hvinden, I.C.,Rabe, P.,Herold, R.A.,Finch, A.,Wood, J.,Morgan, M.,Staudt, M.,Clifton, I.J.,Armstrong, F.A.,McCullagh, J.S.O.,Redmond, J.,Bardella, C.,Abboud, M.I.,Schofield, C.J.; Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.; Nat Commun, 13:4785-4785, 2022; PubMed: 35970853; DOI: 10.1038/s41467-022-32436-4

実験手法

X-RAY DIFFRACTION (2.45 Å)