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Structure paper

TitleAn allosteric inhibitor of sirtuin 2 deacetylase activity exhibits broad-spectrum antiviral activity.
Journal, issue, pagesJ. Clin. Invest., Vol. 133, Year 2023
Publish dateDec 1, 2021 (structure data deposition date)
AuthorsRoche, K.L. / Remiszewski, S. / Todd, M.J. / Kulp 3rd, J.L. / Tang, L. / Welsh, A.V. / Barry, A.P. / De, C. / Reiley, W.W. / Wahl, A. ...Roche, K.L. / Remiszewski, S. / Todd, M.J. / Kulp 3rd, J.L. / Tang, L. / Welsh, A.V. / Barry, A.P. / De, C. / Reiley, W.W. / Wahl, A. / Garcia, J.V. / Luftig, M.A. / Shenk, T. / Tonra, J.R. / Murphy, E.A. / Chiang, L.W.
External linksJ. Clin. Invest. / PubMed:37317966
MethodsX-ray diffraction
Resolution1.75 Å
Structure data

PDB-7t1d:
Human SIRT2 in complex with small molecule 359
Method: X-RAY DIFFRACTION / Resolution: 1.75 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-SO4:
SULFATE ION

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-E7K:
7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE/INHIBITOR / Allosteric inhibitor / HYDROLASE / HYDROLASE-INHIBITOR complex

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