6B0Z
IDH1 R132H mutant in complex with IDH305
Summary for 6B0Z
Entry DOI | 10.2210/pdb6b0z/pdb |
Descriptor | Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (4R)-4-[(1S)-1-fluoroethyl]-3-[2-({(1S)-1-[4-methyl-2'-(trifluoromethyl)[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one, ... (5 entities in total) |
Functional Keywords | isocitrate dehydrogenase, rossmann fold, nadph, inhibitor, oxidoreductase |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm : O75874 |
Total number of polymer chains | 4 |
Total formula weight | 194330.37 |
Authors | Xie, X.,Kulathila, R. (deposition date: 2017-09-15, release date: 2017-11-08, Last modification date: 2024-03-06) |
Primary citation | Cho, Y.S.,Levell, J.R.,Liu, G.,Caferro, T.,Sutton, J.,Shafer, C.M.,Costales, A.,Manning, J.R.,Zhao, Q.,Sendzik, M.,Shultz, M.,Chenail, G.,Dooley, J.,Villalba, B.,Farsidjani, A.,Chen, J.,Kulathila, R.,Xie, X.,Dodd, S.,Gould, T.,Liang, G.,Heimbach, T.,Slocum, K.,Firestone, B.,Pu, M.,Pagliarini, R.,Growney, J.D. Discovery and Evaluation of Clinical Candidate IDH305, a Brain Penetrant Mutant IDH1 Inhibitor. ACS Med Chem Lett, 8:1116-1121, 2017 Cited by PubMed: 29057061DOI: 10.1021/acsmedchemlett.7b00342 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.334 Å) |
Structure validation
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