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Structure paper

TitleIn vivo efficacy of mutant IDH1 inhibitor HMS-101 and structural resolution of distinct binding site.
Journal, issue, pagesLeukemia, Vol. 34, Page 416-426, Year 2020
Publish dateDec 10, 2018 (structure data deposition date)
AuthorsChaturvedi, A. / Goparaju, R. / Gupta, C. / Weder, J. / Klunemann, T. / Araujo Cruz, M.M. / Kloos, A. / Goerlich, K. / Schottmann, R. / Othman, B. ...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.
External linksLeukemia / PubMed:31586149
MethodsX-ray diffraction
Resolution3.3 Å
Structure data

PDB-6q6f:
Crystal structure of IDH1 R132H in complex with HMS101
Method: X-RAY DIFFRACTION / Resolution: 3.3 Å

Chemicals

ChemComp-HJQ:
(2~{R})-2-[2-[(3~{R})-3-(4-fluorophenyl)pyrrolidin-1-yl]ethyl]-1,4-dimethyl-piperazine

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / Inhibitor / Isocitrate Dehydrogenase / Mutant R132H / Cytoplasmic

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