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TitleDiscovery of pyrido[3,4-g]quinazoline derivatives as CMGC family protein kinase inhibitors: Design, synthesis, inhibitory potency and X-ray co-crystal structure.
Journal, issue, pagesEur. J. Med. Chem., Vol. 118, Page 170-177, Year 2016
Publish dateMar 29, 2016 (structure data deposition date)
AuthorsEsvan, Y.J. / Zeinyeh, W. / Boibessot, T. / Nauton, L. / Thery, V. / Knapp, S. / Chaikuad, A. / Loaec, N. / Meijer, L. / Anizon, F. ...Esvan, Y.J. / Zeinyeh, W. / Boibessot, T. / Nauton, L. / Thery, V. / Knapp, S. / Chaikuad, A. / Loaec, N. / Meijer, L. / Anizon, F. / Giraud, F. / Moreau, P.
External linksEur. J. Med. Chem. / PubMed:27128181
MethodsX-ray diffraction
Resolution2.42 - 2.52 Å
Structure data

PDB-5j1v:
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW29 (compound 13)
Method: X-RAY DIFFRACTION / Resolution: 2.52 Å

PDB-5j1w:
Crystal structure of human CLK1 in complex with pyrido[3,4-g]quinazoline derivative ZW31 (compound 14)
Method: X-RAY DIFFRACTION / Resolution: 2.42 Å

Chemicals

ChemComp-6FD:
pyrido[3,4-g]quinazoline-2,10-diamine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

ChemComp-6FB:
pyrido[3,4-g]quinazolin-2-amine

ChemComp-PO4:
PHOSPHATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / SERINE/THREONINE-PROTEIN KINASE / TYROSINE-PROTEIN KINASE / NUCLEUS / inhibitor / structural genomics consortium / SGC

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