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Structure paper

TitleStructure-Guided Development of a Potent and Selective Non-covalent Active-Site Inhibitor of USP7.
Journal, issue, pagesCell Chem Biol, Vol. 24, Page 1490-1500.e11, Year 2017
Publish dateMay 11, 2017 (structure data deposition date)
AuthorsLamberto, I. / Liu, X. / Seo, H.S. / Schauer, N.J. / Iacob, R.E. / Hu, W. / Das, D. / Mikhailova, T. / Weisberg, E.L. / Engen, J.R. ...Lamberto, I. / Liu, X. / Seo, H.S. / Schauer, N.J. / Iacob, R.E. / Hu, W. / Das, D. / Mikhailova, T. / Weisberg, E.L. / Engen, J.R. / Anderson, K.C. / Chauhan, D. / Dhe-Paganon, S. / Buhrlage, S.J.
External linksCell Chem Biol / PubMed:29056421
MethodsX-ray diffraction
Resolution1.85 - 3.33 Å
Structure data

PDB-5vs6:
Structure of DUB complex
Method: X-RAY DIFFRACTION / Resolution: 2.27 Å

PDB-5vsb:
Structure of DUB complex
Method: X-RAY DIFFRACTION / Resolution: 1.85 Å

PDB-5vsk:
Structure of DUB complex
Method: X-RAY DIFFRACTION / Resolution: 3.33 Å

Chemicals

ChemComp-9QD:
N-[3-({4-hydroxy-1-[(3R)-3-phenylbutanoyl]piperidin-4-yl}methyl)-4-oxo-3,4-dihydroquinazolin-7-yl]-3-(4-methylpiperazin-1-yl)propanamide

ChemComp-ACT:
ACETATE ION

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-9QA:
7-chloro-3-{[4-hydroxy-1-(3-phenylpropanoyl)piperidin-4-yl]methyl}quinazolin-4(3H)-one

ChemComp-9HS:
7-chloro-3-({4-hydroxy-1-[(3S)-3-phenylbutanoyl]piperidin-4-yl}methyl)quinazolin-4(3H)-one

ChemComp-ZN:
Unknown entry

Source
  • homo sapiens (human)
KeywordsHydrolase/Inhibitor / deubiquitinase / inhibitor / protein-inhibitor complex / Hydrolase-Inhibitor complex / hydrolase/hydrolase inhibitor / hydrolase-hydrolase inhibitor complex

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