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TitleComputationally Driven Discovery and Characterization of SIRT3 Activating Compounds that Fully Recover Catalytic Activity under NAD+ Depletion
Journal, issue, pagesbiorxiv, Year 2023
Publish dateNov 19, 2023 (structure data deposition date)
AuthorsChakrabarti, R. / Ghosh, A. / Guan, X. / Upadhyay, A. / Dumpati, R.K. / Munshi, S. / Roy, S. / Chall, S. / Rahnamoun, A. / Reverdy, C. ...Chakrabarti, R. / Ghosh, A. / Guan, X. / Upadhyay, A. / Dumpati, R.K. / Munshi, S. / Roy, S. / Chall, S. / Rahnamoun, A. / Reverdy, C. / Errasti, G. / Delacroix, T.
External linksbiorxiv / Search PubMed
MethodsX-ray diffraction
Resolution1.74 - 2.4 Å
Structure data

PDB-8v15:
Human SIRT3 bound to p53-AMC peptide, Carba-NAD, and Honokiol
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

PDB-8v2n:
Human SIRT3 co-crystallized with ligands, including p53-AMC peptide and Carba-NAD
Method: X-RAY DIFFRACTION / Resolution: 1.74 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-CNA:
CARBA-NICOTINAMIDE-ADENINE-DINUCLEOTIDE

ChemComp-Y4T:
(1P)-3',5-di(prop-2-en-1-yl)[1,1'-biphenyl]-2,4'-diol

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / Activator / Complex / Deacylase

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