6BL1
Novel Modes of Inhibition of Wild-Type IDH1: Direct Covalent Modification of His315 with Cmpd13
Summary for 6BL1
Entry DOI | 10.2210/pdb6bl1/pdb |
Descriptor | Isocitrate dehydrogenase [NADP] cytoplasmic, ISOCITRIC ACID, (6aS,7S,9S,10aS)-7-methyl-8-oxo-10a-phenyl-2-(phenylamino)-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazoline-9-carbonitrile, ... (5 entities in total) |
Functional Keywords | dehydrogenase, inhibitor, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 3 |
Total formula weight | 146386.28 |
Authors | Jakob, C.G.,Qiu, W. (deposition date: 2017-11-09, release date: 2018-07-25, Last modification date: 2023-10-04) |
Primary citation | Jakob, C.G.,Upadhyay, A.K.,Donner, P.L.,Nicholl, E.,Addo, S.N.,Qiu, W.,Ling, C.,Gopalakrishnan, S.M.,Torrent, M.,Cepa, S.P.,Shanley, J.,Shoemaker, A.R.,Sun, C.C.,Vasudevan, A.,Woller, K.R.,Shotwell, J.B.,Shaw, B.,Bian, Z.,Hutti, J.E. Novel Modes of Inhibition of Wild-Type Isocitrate Dehydrogenase 1 (IDH1): Direct Covalent Modification of His315. J. Med. Chem., 61:6647-6657, 2018 Cited by PubMed: 30004704DOI: 10.1021/acs.jmedchem.8b00305 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.02 Å) |
Structure validation
Download full validation report