5DE1

Crystal structure of human IDH1 in complex with GSK321A

Summary for 5DE1

• Entry DOI: 10.2210/pdb5de1/pdb
• Descriptor: Isocitrate dehydrogenase [NADP] cytoplasmic, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, (7R)-1-(4-fluorobenzyl)-N-{3-[(1S)-1-hydroxyethyl]phenyl}-7-methyl-5-(1H-pyrrol-2-ylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine-3-carboxamide, ... (4 entities in total)
• Functional Keywords: idh1, allosteric inhibitor, nadp+, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm : O75874
• Total number of polymer chains: 2
• Total formula weight: 95629.87

Authors

Concha, N.O.,Smallwood, A.,Qi, H. (deposition date: 2015-08-25, release date: 2015-10-07, Last modification date: 2023-09-27)

• Primary citation: Okoye-Okafor, U.C.,Bartholdy, B.,Cartier, J.,Gao, E.N.,Pietrak, B.,Rendina, A.R.,Rominger, C.,Quinn, C.,Smallwood, A.,Wiggall, K.J.,Reif, A.J.,Schmidt, S.J.,Qi, H.,Zhao, H.,Joberty, G.,Faelth-Savitski, M.,Bantscheff, M.,Drewes, G.,Duraiswami, C.,Brady, P.,Groy, A.,Narayanagari, S.R.,Antony-Debre, I.,Mitchell, K.,Wang, H.R.,Kao, Y.R.,Christopeit, M.,Carvajal, L.,Barreyro, L.,Paietta, E.,Makishima, H.,Will, B.,Concha, N.,Adams, N.D.,Schwartz, B.,McCabe, M.T.,Maciejewski, J.,Verma, A.,Steidl, U.; New IDH1 mutant inhibitors for treatment of acute myeloid leukemia.; Nat.Chem.Biol., 11:878-886, 2015; PubMed: 26436839; DOI: 10.1038/nchembio.1930

Experimental method

X-RAY DIFFRACTION (2.25 Å)