8PY3

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

Summary for 8PY3

Entry DOI	10.2210/pdb8py3/pdb
Descriptor	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)
Functional Keywords	inhibitor, sirtuin 2, hydrolase
Biological source	Homo sapiens (human)
Total number of polymer chains	1
Total formula weight	35520.73
Authors	Friedrich, F.,Colcerasa, A.,Einsle, O.,Jung, M. (deposition date: 2023-07-24, release date: 2024-06-19)
Primary citation	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., 2024 Cited by PubMed: 38847803 DOI: 10.1021/acs.jmedchem.4c00229 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.65 Å)

Structure validation