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Structure paper

TitleThienopyrimidinone Based Sirtuin-2 (SIRT2)-Selective Inhibitors Bind in the Ligand Induced Selectivity Pocket.
Journal, issue, pagesJ. Med. Chem., Vol. 60, Page 1928-1945, Year 2017
Publish dateNov 4, 2016 (structure data deposition date)
AuthorsSundriyal, S. / Moniot, S. / Mahmud, Z. / Yao, S. / Di Fruscia, P. / Reynolds, C.R. / Dexter, D.T. / Sternberg, M.J. / Lam, E.W. / Steegborn, C. / Fuchter, M.J.
External linksJ. Med. Chem. / PubMed:28135086
MethodsX-ray diffraction
Resolution2.069 Å
Structure data

PDB-5mat:
Structure of human Sirtuin 2 in complex with a selective thienopyrimidinone based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.069 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-7KJ:
(7~{R})-7-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-[(4-methoxynaphthalen-1-yl)methyl]-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

ChemComp-SO4:
SULFATE ION

ChemComp-PG4:
TETRAETHYLENE GLYCOL / precipitant*YM

ChemComp-P6G:
HEXAETHYLENE GLYCOL / precipitant*YM

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / NAD-dependent protein deacylase / sirtuin / inhibitor complex

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