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TitleA Potent Blood-Brain Barrier-Permeable Mutant IDH1 Inhibitor Suppresses the Growth of Glioblastoma with IDH1 Mutation in a Patient-Derived Orthotopic Xenograft Model.
Journal, issue, pagesMol. Cancer Ther., Vol. 19, Page 375-383, Year 2020
Publish dateOct 29, 2018 (structure data deposition date)
AuthorsMachida, Y. / Nakagawa, M. / Matsunaga, H. / Yamaguchi, M. / Ogawara, Y. / Shima, Y. / Yamagata, K. / Katsumoto, T. / Hattori, A. / Itoh, M. ...Machida, Y. / Nakagawa, M. / Matsunaga, H. / Yamaguchi, M. / Ogawara, Y. / Shima, Y. / Yamagata, K. / Katsumoto, T. / Hattori, A. / Itoh, M. / Seki, T. / Nishiya, Y. / Nakamura, K. / Suzuki, K. / Imaoka, T. / Baba, D. / Suzuki, M. / Sampetrean, O. / Saya, H. / Ichimura, K. / Kitabayashi, I.
External linksMol. Cancer Ther. / PubMed:31727689
MethodsX-ray diffraction
Resolution2.2 Å
Structure data

PDB-6io0:
Human IDH1 R132C mutant complexed with compound A.
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

Chemicals

ChemComp-AOU:
(2E)-3-{3-[3-(2,6-dichlorophenyl)-5-(propan-2-yl)-1,2-oxazole-4-carbonyl]-1-methyl-1H-indol-7-yl}prop-2-enoic acid

ChemComp-NDP:
NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE

ChemComp-CIT:
CITRIC ACID

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / ISO-CITRATE DEHYDROGENASE / ALLOSTERIC INHIBITOR / NADPH

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