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; PubMed: 29057061; DOI: 10.1021/acsmedchemlett.7b00342

Experimental method

X-RAY DIFFRACTION (2.334 Å)