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Structure paper

TitleCrystallographic structure of a small molecule SIRT1 activator-enzyme complex.
Journal, issue, pagesNat Commun, Vol. 6, Page 7645-7645, Year 2015
Publish dateMay 22, 2015 (structure data deposition date)
AuthorsDai, H. / Case, A.W. / Riera, T.V. / Considine, T. / Lee, J.E. / Hamuro, Y. / Zhao, H. / Jiang, Y. / Sweitzer, S.M. / Pietrak, B. ...Dai, H. / Case, A.W. / Riera, T.V. / Considine, T. / Lee, J.E. / Hamuro, Y. / Zhao, H. / Jiang, Y. / Sweitzer, S.M. / Pietrak, B. / Schwartz, B. / Blum, C.A. / Disch, J.S. / Caldwell, R. / Szczepankiewicz, B. / Oalmann, C. / Yee Ng, P. / White, B.H. / Casaubon, R. / Narayan, R. / Koppetsch, K. / Bourbonais, F. / Wu, B. / Wang, J. / Qian, D. / Jiang, F. / Mao, C. / Wang, M. / Hu, E. / Wu, J.C. / Perni, R.B. / Vlasuk, G.P. / Ellis, J.L.
External linksNat Commun / PubMed:26134520
MethodsX-ray diffraction
Resolution2.7346 - 3.1001 Å
Structure data

PDB-4zzh:
SIRT1/Activator Complex
Method: X-RAY DIFFRACTION / Resolution: 3.1001 Å

PDB-4zzi:
SIRT1/Activator/Inhibitor Complex
Method: X-RAY DIFFRACTION / Resolution: 2.7346 Å

PDB-4zzj:
SIRT1/Activator/Substrate Complex
Method: X-RAY DIFFRACTION / Resolution: 2.7403 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-4TO:
(4S)-N-[3-(1,3-oxazol-5-yl)phenyl]-7-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1,4-methanopyrido[2,3-b][1,4]diazepine-5(2H)-carboxamide

ChemComp-4TQ:
(3S)-1,3-dimethyl-N-[3-(1,3-oxazol-5-yl)phenyl]-6-[3-(trifluoromethyl)phenyl]-2,3-dihydropyrido[2,3-b]pyrazine-4(1H)-carboxamide

ChemComp-1NS:
4-(4-{2-[(methylsulfonyl)amino]ethyl}piperidin-1-yl)thieno[3,2-d]pyrimidine-6-carboxamide

ChemComp-HOH:
WATER

ChemComp-CNA:
CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE

ChemComp-GOL:
GLYCEROL

Source
  • homo sapiens (human)
KeywordsHydrolase/hydrolase activator / Sirtuin / Activator / Deacylase / Complex / Hydrolase-hydrolase activator complex / Hydrolase/hydrolase inhibitor / Hydrolase-hydrolase inhibitor complex / HYDROLASE

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