6VFZ

Crystal Structure of Human Mitochondrial Isocitrate Dehydrogenase (IDH2) R140Q Mutant Homodimer in Complex with NADPH and AG-881 (Vorasidenib) Inhibitor.

Summary for 6VFZ

• Entry DOI: 10.2210/pdb6vfz/pdb
• Related: 6VE1 6VG0
• Descriptor: Isocitrate dehydrogenase [NADP], mitochondrial, 6-(6-chloropyridin-2-yl)-N2,N4-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... (6 entities in total)
• Functional Keywords: idh, icd-m, idp, nadp(+)-specific icdh, oxalosuccinate decarboxylase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 105597.73

Authors

Padyana, A.,Jin, L. (deposition date: 2020-01-07, release date: 2020-02-05, Last modification date: 2023-10-11)

• Primary citation: Konteatis, Z.,Artin, E.,Nicolay, B.,Straley, K.,Padyana, A.K.,Jin, L.,Chen, Y.,Narayaraswamy, R.,Tong, S.,Wang, F.,Zhou, D.,Cui, D.,Cai, Z.,Luo, Z.,Fang, C.,Tang, H.,Lv, X.,Nagaraja, R.,Yang, H.,Su, S.M.,Sui, Z.,Dang, L.,Yen, K.,Popovici-Muller, J.,Codega, P.,Campos, C.,Mellinghoff, I.K.,Biller, S.A.; Vorasidenib (AG-881): A First-in-Class, Brain-Penetrant Dual Inhibitor of Mutant IDH1 and 2 for Treatment of Glioma.; Acs Med.Chem.Lett., 11:101-107, 2020; PubMed: 32071674; DOI: 10.1021/acsmedchemlett.9b00509

Experimental method

X-RAY DIFFRACTION (1.99 Å)