6O2Y

Crystal structure of IDH1 R132H mutant in complex with compound 24

Summary for 6O2Y

• Entry DOI: 10.2210/pdb6o2y/pdb
• Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, 4-{[(6-chloro-2-oxo-1,2-dihydroquinolin-3-yl)methyl]amino}-2-methoxybenzonitrile, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (5 entities in total)
• Functional Keywords: idh1, allosteric inhibitor, oxidoreductase, inhibitor complex, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 3
• Total formula weight: 147860.83

Authors

Toms, A.V.,Lin, J. (deposition date: 2019-02-25, release date: 2019-06-26, Last modification date: 2024-03-13)

• Primary citation: Lin, J.,Lu, W.,Caravella, J.A.,Campbell, A.M.,Diebold, R.B.,Ericsson, A.,Fritzen, E.,Gustafson, G.R.,Lancia Jr., D.R.,Shelekhin, T.,Wang, Z.,Castro, J.,Clarke, A.,Gotur, D.,Josephine, H.R.,Katz, M.,Diep, H.,Kershaw, M.,Yao, L.,Kauffman, G.,Hubbs, S.E.,Luke, G.P.,Toms, A.V.,Wang, L.,Bair, K.W.,Barr, K.J.,Dinsmore, C.,Walker, D.,Ashwell, S.; Discovery and Optimization of Quinolinone Derivatives as Potent, Selective, and Orally Bioavailable Mutant Isocitrate Dehydrogenase 1 (mIDH1) Inhibitors.; J.Med.Chem., 62:6575-6596, 2019; PubMed: 31199148; DOI: 10.1021/acs.jmedchem.9b00362

Experimental method

X-RAY DIFFRACTION (2.8 Å)