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TitleAG-221, a First-in-Class Therapy Targeting Acute Myeloid Leukemia Harboring Oncogenic IDH2 Mutations.
Journal, issue, pagesCancer Discov, Vol. 7, Page 478-493, Year 2017
Publish dateFeb 19, 2016 (structure data deposition date)
AuthorsYen, K. / Travins, J. / Wang, F. / David, M.D. / Artin, E. / Straley, K. / Padyana, A. / Gross, S. / DeLaBarre, B. / Tobin, E. ...Yen, K. / Travins, J. / Wang, F. / David, M.D. / Artin, E. / Straley, K. / Padyana, A. / Gross, S. / DeLaBarre, B. / Tobin, E. / Chen, Y. / Nagaraja, R. / Choe, S. / Jin, L. / Konteatis, Z. / Cianchetta, G. / Saunders, J.O. / Salituro, F.G. / Quivoron, C. / Opolon, P. / Bawa, O. / Saada, V. / Paci, A. / Broutin, S. / Bernard, O.A. / de Botton, S. / Marteyn, B.S. / Pilichowska, M. / Xu, Y. / Fang, C. / Jiang, F. / Wei, W. / Jin, S. / Silverman, L. / Liu, W. / Yang, H. / Dang, L. / Dorsch, M. / Penard-Lacronique, V. / Biller, S.A. / Su, S.M.
External linksCancer Discov / PubMed:28193778
MethodsX-ray diffraction
Resolution1.54 - 1.55 Å
Structure data

PDB-5i95:
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase R140Q Mutant Homodimer bound to NADPH and alpha-Ketoglutaric acid
Method: X-RAY DIFFRACTION / Resolution: 1.54 Å

PDB-5i96:
Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with AG-221 (Enasidenib) Inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 1.55 Å

Chemicals

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

ChemComp-CA:
Unknown entry

ChemComp-GOL:
GLYCEROL

ChemComp-ACT:
ACETATE ION

ChemComp-AKG:
2-OXOGLUTARIC ACID

ChemComp-HOH:
WATER

ChemComp-NA:
Unknown entry

ChemComp-69Q:
2-methyl-1-[(4-[6-(trifluoromethyl)pyridin-2-yl]-6-{[2-(trifluoromethyl)pyridin-4-yl]amino}-1,3,5-triazin-2-yl)amino]propan-2-ol / medication, anticancer, inhibitor*YM

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE / IDH / ICD-M / IDP NADP(+)-specific ICDH Oxalosuccinate decarboxylase / aKG / alphaKG / oxo-glutarate. / OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / IDH2 / enasidenib / AG-221 / IDH2 AG-221 / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex

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