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Structure paper

TitleDual protein kinase and nucleoside kinase modulators for rationally designed polypharmacology.
Journal, issue, pagesNat Commun, Vol. 8, Page 1420-1420, Year 2017
Publish dateDec 20, 2016 (structure data deposition date)
AuthorsHammam, K. / Saez-Ayala, M. / Rebuffet, E. / Gros, L. / Lopez, S. / Hajem, B. / Humbert, M. / Baudelet, E. / Audebert, S. / Betzi, S. ...Hammam, K. / Saez-Ayala, M. / Rebuffet, E. / Gros, L. / Lopez, S. / Hajem, B. / Humbert, M. / Baudelet, E. / Audebert, S. / Betzi, S. / Lugari, A. / Combes, S. / Letard, S. / Casteran, N. / Mansfield, C. / Moussy, A. / De Sepulveda, P. / Morelli, X. / Dubreuil, P.
External linksNat Commun / PubMed:29127277
MethodsX-ray diffraction
Resolution3.2 - 3.7 Å
Structure data

PDB-5mqj:
Crystal structure of dCK mutant C3S
Method: X-RAY DIFFRACTION / Resolution: 3.7 Å

PDB-5mql:
Crystal structure of dCK mutant C3S in complex with masitinib and UDP
Method: X-RAY DIFFRACTION / Resolution: 3.25 Å

PDB-5mqt:
Crystal structure of dCK mutant C3S in complex with imatinib and UDP
Method: X-RAY DIFFRACTION / Resolution: 3.2 Å

Chemicals

ChemComp-UDP:
URIDINE-5'-DIPHOSPHATE / UDP*YM

ChemComp-UMP:
2'-DEOXYURIDINE 5'-MONOPHOSPHATE

ChemComp-MG:
Unknown entry

ChemComp-G65:
Masitinib / inhibitor*YM

ChemComp-DCM:
2'-DEOXYCYTIDINE-5'-MONOPHOSPHATE

ChemComp-HOH:
WATER

ChemComp-STI:
4-(4-METHYL-PIPERAZIN-1-YLMETHYL)-N-[4-METHYL-3-(4-PYRIDIN-3-YL-PYRIMIDIN-2-YLAMINO)-PHENYL]-BENZAMIDE / medication, inhibitor*YM

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / Deoxycytidine kinase / dCK / masitinib

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