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TitleDiscovery and characterization of highly potent and selective allosteric USP7 inhibitors.
Journal, issue, pagesNat. Chem. Biol., Vol. 14, Page 118-125, Year 2018
Publish dateFeb 27, 2017 (structure data deposition date)
AuthorsGavory, G. / O'Dowd, C.R. / Helm, M.D. / Flasz, J. / Arkoudis, E. / Dossang, A. / Hughes, C. / Cassidy, E. / McClelland, K. / Odrzywol, E. ...Gavory, G. / O'Dowd, C.R. / Helm, M.D. / Flasz, J. / Arkoudis, E. / Dossang, A. / Hughes, C. / Cassidy, E. / McClelland, K. / Odrzywol, E. / Page, N. / Barker, O. / Miel, H. / Harrison, T.
External linksNat. Chem. Biol. / PubMed:29200206
MethodsX-ray diffraction
Resolution1.73 - 2.23 Å
Structure data

PDB-5n9r:
Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.23 Å

PDB-5n9t:
Crystal structure of USP7 in complex with a potent, selective and reversible small-molecule inhibitor
Method: X-RAY DIFFRACTION / Resolution: 1.73 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-8RN:
7-bromanyl-3-[[4-oxidanyl-1-[(3~{R})-3-phenylbutanoyl]piperidin-4-yl]methyl]thieno[3,2-d]pyrimidin-4-one

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

ChemComp-HOH:
WATER

ChemComp-8QQ:
3-[4-(aminomethyl)phenyl]-2-methyl-6-[[4-oxidanyl-1-[(3~{R})-4,4,4-tris(fluoranyl)-3-phenyl-butanoyl]piperidin-4-yl]methyl]pyrazolo[4,3-d]pyrimidin-7-one

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

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