6U4J

Crystal structure of IDH1 R132H mutant in complex with FT-2102

6U4J の概要

• エントリーDOI: 10.2210/pdb6u4j/pdb
• 分子名称: Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CHLORIDE ION, ... (6 entities in total)
• 機能のキーワード: idh1, allosteric inhibitor, oxidoreductase, inhibitor complex, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• 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: 98727.76

構造登録者

Toms, A.V.,Lin, J. (登録日: 2019-08-25, 公開日: 2020-03-04, 最終更新日: 2023-10-11)

• 主引用文献: Caravella, J.A.,Lin, J.,Diebold, R.B.,Campbell, A.M.,Ericsson, A.,Gustafson, G.,Wang, Z.,Castro, J.,Clarke, A.,Gotur, D.,Josephine, H.R.,Katz, M.,Kershaw, M.,Yao, L.,Toms, A.V.,Barr, K.J.,Dinsmore, C.J.,Walker, D.,Ashwell, S.,Lu, W.; Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor.; J.Med.Chem., 63:1612-1623, 2020; PubMed: 31971798; DOI: 10.1021/acs.jmedchem.9b01423

実験手法

X-RAY DIFFRACTION (2.11 Å)