6U4J
Crystal structure of IDH1 R132H mutant in complex with FT-2102
Summary for 6U4J
| Entry DOI | 10.2210/pdb6u4j/pdb |
| Descriptor | Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, CHLORIDE ION, ... (6 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 | 2 |
| Total formula weight | 98727.76 |
| Authors | Toms, A.V.,Lin, J. (deposition date: 2019-08-25, release date: 2020-03-04, Last modification date: 2023-10-11) |
| Primary citation | Caravella, J.A.,Lin, J.,Diebold, R.B.,Campbell, A.M.,Ericsson, A.,Gustafson, G.,Wang, Z.,Castro, J.,Clarke, A.,Gotur, D.,Josephine, H.R.,Katz, M.,Kershaw, M.,Yao, L.,Toms, A.V.,Barr, K.J.,Dinsmore, C.J.,Walker, D.,Ashwell, S.,Lu, W. Structure-Based Design and Identification of FT-2102 (Olutasidenib), a Potent Mutant-Selective IDH1 Inhibitor. J.Med.Chem., 63:1612-1623, 2020 Cited by PubMed: 31971798DOI: 10.1021/acs.jmedchem.9b01423 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (2.11 Å) |
Structure validation
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