6Q6F

Crystal structure of IDH1 R132H in complex with HMS101

Summary for 6Q6F

Entry DOI	10.2210/pdb6q6f/pdb
Descriptor	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)
Functional Keywords	inhibitor, isocitrate dehydrogenase, mutant r132h, cytoplasmic, oxidoreductase
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	94013.22
Authors	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. (deposition date: 2018-12-10, release date: 2019-10-16, Last modification date: 2024-01-24)
Primary citation	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 Cited by PubMed: 31586149 DOI: 10.1038/s41375-019-0582-x PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (3.3 Å)

Structure validation