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TitleResistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors.
Journal, issue, pagesNat Commun, Vol. 13, Page 4785-4785, Year 2022
Publish dateAug 24, 2021 (structure data deposition date)
AuthorsReinbold, R. / Hvinden, I.C. / Rabe, P. / Herold, R.A. / Finch, A. / Wood, J. / Morgan, M. / Staudt, M. / Clifton, I.J. / Armstrong, F.A. ...Reinbold, R. / Hvinden, I.C. / Rabe, P. / Herold, R.A. / Finch, A. / Wood, J. / Morgan, M. / Staudt, M. / Clifton, I.J. / Armstrong, F.A. / McCullagh, J.S.O. / Redmond, J. / Bardella, C. / Abboud, M.I. / Schofield, C.J.
External linksNat Commun / PubMed:35970853
MethodsX-ray diffraction
Resolution2.1 - 2.45 Å
Structure data

PDB-7pjm:
Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and Ca2+/2-Oxoglutarate
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

PDB-7pjn:
Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B
Method: X-RAY DIFFRACTION / Resolution: 2.45 Å

Chemicals

ChemComp-AKG:
2-OXOGLUTARIC ACID

ChemComp-GOL:
GLYCEROL

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

ChemComp-CA:
Unknown entry

ChemComp-CL:
Unknown entry

ChemComp-HOH:
WATER

ChemComp-7SU:
(E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid

ChemComp-CIT:
CITRIC ACID

Source
  • homo sapiens (human)
KeywordsOXIDOREDUCTASE

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