5C37

Structure of the beta-ketoacyl reductase domain of human fatty acid synthase bound to a spiro-imidazolone inhibitor

5C37 の概要

• エントリーDOI: 10.2210/pdb5c37/pdb
• 分子名称: Fatty acid synthase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, 6-{[(3R)-1-(cyclopropylcarbonyl)pyrrolidin-3-yl]methyl}-5-[4-(1-methyl-1H-indazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one, ... (6 entities in total)
• 機能のキーワード: fatty acid synthase, inhibitor, beta-ketoacyl reductase, cancer, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Cytoplasm : P49327
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 146722.89

構造登録者

Schubert, C.,Milligan, C.M.,Vo, K.,Grasberger, B. (登録日: 2015-06-17, 公開日: 2016-06-22, 最終更新日: 2024-06-19)

• 主引用文献: Lu, T.,Schubert, C.,Cummings, M.D.,Bignan, G.,Connolly, P.J.,Smans, K.,Ludovici, D.,Parker, M.H.,Meyer, C.,Rocaboy, C.,Alexander, R.,Grasberger, B.,De Breucker, S.,Esser, N.,Fraiponts, E.,Gilissen, R.,Janssens, B.,Peeters, D.,Van Nuffel, L.,Vermeulen, P.,Bischoff, J.,Meerpoel, L.; Design and synthesis of a series of bioavailable fatty acid synthase (FASN) KR domain inhibitors for cancer therapy.; Bioorg.Med.Chem.Lett., 28:2159-2164, 2018; PubMed: 29779975; DOI: 10.1016/j.bmcl.2018.05.014

実験手法

X-RAY DIFFRACTION (2.3 Å)