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, Last modification date: 2024-07-10) |
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., 67:10076-10095, 2024 Cited by PubMed: 38847803DOI: 10.1021/acs.jmedchem.4c00229 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.65 Å) |
Structure validation
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