6KG2

Human MTHFD2 in complex with Compound 18

Summary for 6KG2

• Entry DOI: 10.2210/pdb6kg2/pdb
• Descriptor: Bifunctional methylenetetrahydrofolate dehydrogenase/cyclohydrolase, mitochondrial, N-[2-chloranyl-4-[[7-methyl-8-(4-methylpiperazin-1-yl)-5-oxidanylidene-2,4-dihydro-1H-chromeno[3,4-c]pyridin-3-yl]carbonyl]phenyl]methanesulfonamide, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, ... (5 entities in total)
• Functional Keywords: inhibitor, folate, cofactor, dehydrogenase, oxidoreductase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 73037.83

Authors

Suzuki, M.,Matsui, Y.,Ota, M.,Kawai, J. (deposition date: 2019-07-10, release date: 2019-11-13, Last modification date: 2024-03-27)

• Primary citation: Kawai, J.,Toki, T.,Ota, M.,Inoue, H.,Takata, Y.,Asahi, T.,Suzuki, M.,Shimada, T.,Ono, K.,Suzuki, K.,Takaishi, S.,Ohki, H.,Matsui, S.,Tsutsumi, S.,Hirota, Y.,Nakayama, K.; Discovery of a Potent, Selective, and Orally Available MTHFD2 Inhibitor (DS18561882) with in Vivo Antitumor Activity.; J.Med.Chem., 62:10204-10220, 2019; PubMed: 31638799; DOI: 10.1021/acs.jmedchem.9b01113

Experimental method

X-RAY DIFFRACTION (2.25 Å)