8HB9
Crystal Structure of Human IDH1 R132H Mutant in Complex with NADPH and Compound IHMT-IDH1-053
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Summary for 8HB9
Entry DOI | 10.2210/pdb8hb9/pdb |
Descriptor | Isocitrate dehydrogenase [NADP] cytoplasmic, [2-[2-[[1-[4-[(1S)-1-[[5-fluoranyl-4-[(4S)-2-oxidanylidene-4-propan-2-yl-1,3-oxazolidin-3-yl]pyrimidin-2-yl]amino]ethyl]phenyl]piperidin-4-yl]sulfamoyl]ethylsulfanylmethyl]-3-oxidanylidene-propyl]-trimethyl-azanium, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (6 entities in total) |
Functional Keywords | oxidoreductase |
Biological source | Homo sapiens (human) |
Total number of polymer chains | 4 |
Total formula weight | 193741.26 |
Authors | |
Primary citation | Liang, Q.,Wang, B.,Zou, F.,Guo, G.,Wang, W.,Wang, W.,Liu, Q.,Shen, L.,Hu, C.,Wang, W.,Wang, A.,Huang, T.,He, Y.,Xia, R.,Ge, J.,Liu, J.,Liu, Q. Structure-based discovery of IHMT-IDH1-053 as a potent irreversible IDH1 mutant selective inhibitor. Eur.J.Med.Chem., 256:115411-115411, 2023 Cited by PubMed: 37209613DOI: 10.1016/j.ejmech.2023.115411 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.8 Å) |
Structure validation
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