8PY3

Crystal structure of human Sirt2 in complex with a 1,2,4-oxadiazole based inhibitor

8PY3 の概要

• エントリーDOI: 10.2210/pdb8py3/pdb
• 分子名称: NAD-dependent protein deacetylase sirtuin-2, ZINC ION, 4-chloranyl-~{N}-[4-[5-[[(3~{S})-1-[(3-fluoranyl-2-methyl-phenyl)methyl]piperidin-3-yl]methyl]-1,2,4-oxadiazol-3-yl]phenyl]benzamide, ... (6 entities in total)
• 機能のキーワード: inhibitor, sirtuin 2, hydrolase
• 由来する生物種: Homo sapiens (human)
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 35520.73

構造登録者

Friedrich, F.,Colcerasa, A.,Einsle, O.,Jung, M. (登録日: 2023-07-24, 公開日: 2024-06-19, 最終更新日: 2024-07-10)

• 主引用文献: Colcerasa, A.,Friedrich, F.,Melesina, J.,Moser, P.,Vogelmann, A.,Tzortzoglou, P.,Neuwirt, E.,Sum, M.,Robaa, D.,Zhang, L.,Ramos-Morales, E.,Romier, C.,Einsle, O.,Metzger, E.,Schule, R.,Gross, O.,Sippl, W.,Jung, M.; Structure-Activity Studies of 1,2,4-Oxadiazoles for the Inhibition of the NAD + -Dependent Lysine Deacylase Sirtuin 2.; J.Med.Chem., 67:10076-10095, 2024; PubMed: 38847803; DOI: 10.1021/acs.jmedchem.4c00229

実験手法

X-RAY DIFFRACTION (1.65 Å)