8OWZ

Crystal structure of human Sirt2 in complex with a triazole-based SirReal

Summary for 8OWZ

Entry DOI	10.2210/pdb8owz/pdb
Descriptor	NAD-dependent protein deacetylase sirtuin-2, 2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-[5-[[3-[[1-(2-methoxyethyl)-1,2,3-triazol-4-yl]methoxy]phenyl]methyl]-1,3-thiazol-2-yl]ethanamide, 1,2-ETHANEDIOL, ... (8 entities in total)
Functional Keywords	inhibitor, sirtuin 2, hydrolase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	35680.99
Authors	Friedrich, F.,Zhang, L.,Schiedel, M.,Einsle, O.,Jung, M. (deposition date: 2023-04-28, release date: 2023-11-15, Last modification date: 2023-11-22)
Primary citation	Sinatra, L.,Vogelmann, A.,Friedrich, F.,Tararina, M.A.,Neuwirt, E.,Colcerasa, A.,Konig, P.,Toy, L.,Yesiloglu, T.Z.,Hilscher, S.,Gaitzsch, L.,Papenkordt, N.,Zhai, S.,Zhang, L.,Romier, C.,Einsle, O.,Sippl, W.,Schutkowski, M.,Gross, O.,Bendas, G.,Christianson, D.W.,Hansen, F.K.,Jung, M.,Schiedel, M. Development of First-in-Class Dual Sirt2/HDAC6 Inhibitors as Molecular Tools for Dual Inhibition of Tubulin Deacetylation. J.Med.Chem., 66:14787-14814, 2023 Cited by PubMed: 37902787 DOI: 10.1021/acs.jmedchem.3c01385 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.65 Å)

Structure validation