7PJN

Crystal Structure of Ivosidenib-resistant IDH1 variant R132C S280F in complex with NADPH and inhibitor DS-1001B

Summary for 7PJN

Entry DOI	10.2210/pdb7pjn/pdb
Descriptor	Isocitrate dehydrogenase [NADP] cytoplasmic, (E)-3-(1-(5-(2-fluoropropan-2-yl)-3-(2,4,6-trichlorophenyl)isoxazole-4-carbonyl)-3-methyl-1H-indol-4-yl)acrylic acid, CITRIC ACID, ... (7 entities in total)
Functional Keywords	oxidoreductase
Biological source	Homo sapiens (Human) More
Total number of polymer chains	4
Total formula weight	197859.61
Authors	Reinbold, R.,Rabe, P.,Abboud, M.I.,Schofield, C.J.,Clifton, I.J. (deposition date: 2021-08-24, release date: 2022-07-13, Last modification date: 2024-01-31)
Primary citation	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. Resistance to the isocitrate dehydrogenase 1 mutant inhibitor ivosidenib can be overcome by alternative dimer-interface binding inhibitors. Nat Commun, 13:4785-4785, 2022 Cited by PubMed: 35970853 DOI: 10.1038/s41467-022-32436-4 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.45 Å)

Structure validation