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TitleSmall Molecule Inhibition of CPS1 Activity through an Allosteric Pocket.
Journal, issue, pagesCell Chem Biol, Vol. 27, Page 259-268.e5, Year 2020
Publish dateSep 21, 2019 (structure data deposition date)
AuthorsYao, S. / Nguyen, T.V. / Rolfe, A. / Agrawal, A.A. / Ke, J. / Peng, S. / Colombo, F. / Yu, S. / Bouchard, P. / Wu, J. ...Yao, S. / Nguyen, T.V. / Rolfe, A. / Agrawal, A.A. / Ke, J. / Peng, S. / Colombo, F. / Yu, S. / Bouchard, P. / Wu, J. / Huang, K.C. / Bao, X. / Omoto, K. / Selvaraj, A. / Yu, L. / Ioannidis, S. / Vaillancourt, F.H. / Zhu, P. / Larsen, N.A. / Bolduc, D.M.
External linksCell Chem Biol / PubMed:32017919
MethodsX-ray diffraction
Resolution1.9 Å
Structure data

PDB-6uel:
CPS1 bound to allosteric inhibitor H3B-193
Method: X-RAY DIFFRACTION / Resolution: 1.9 Å

Chemicals

ChemComp-ZN:
Unknown entry

ChemComp-Q5A:
N~1~-[(4-fluorophenyl)methyl]-N~1~-methyl-N~4~-(4-methyl-1,3-thiazol-2-yl)piperidine-1,4-dicarboxamide

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsLIGASE/LIGASE INHIBITOR / allosteric inhibitor / CPS1 / ligase / TRANSFERASE / LIGASE-LIGASE INHIBITOR complex

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