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TitleIdentification and Structure-Guided Development of Pyrimidinone Based USP7 Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 9, Page 238-243, Year 2018
Publish dateDec 1, 2017 (structure data deposition date)
AuthorsO'Dowd, C.R. / Helm, M.D. / Rountree, J.S.S. / Flasz, J.T. / Arkoudis, E. / Miel, H. / Hewitt, P.R. / Jordan, L. / Barker, O. / Hughes, C. ...O'Dowd, C.R. / Helm, M.D. / Rountree, J.S.S. / Flasz, J.T. / Arkoudis, E. / Miel, H. / Hewitt, P.R. / Jordan, L. / Barker, O. / Hughes, C. / Rozycka, E. / Cassidy, E. / McClelland, K. / Odrzywol, E. / Page, N. / Feutren-Burton, S. / Dvorkin, S. / Gavory, G. / Harrison, T.
External linksACS Med Chem Lett / PubMed:29541367
MethodsX-ray diffraction
Resolution2.16 Å
Structure data

PDB-6f5h:
Crystal structure of USP7 in complex with a 4-hydroxypiperidine based inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.16 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-CQ5:
3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]-6-(2-pyrrolidin-1-ylethylamino)pyrimidin-4-one

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsHYDROLASE / USP7 / reversible / inhibitor / selective

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