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Structure paper

TitlePyrido[2,3-d]pyrimidines: Discovery and preliminary SAR of a novel series of DYRK1B and DYRK1A inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 23, Page 6610-6615, Year 2013
Publish dateSep 15, 2013 (structure data deposition date)
AuthorsAnderson, K. / Chen, Y. / Chen, Z. / Dominique, R. / Glenn, K. / He, Y. / Janson, C. / Luk, K.C. / Lukacs, C. / Polonskaia, A. ...Anderson, K. / Chen, Y. / Chen, Z. / Dominique, R. / Glenn, K. / He, Y. / Janson, C. / Luk, K.C. / Lukacs, C. / Polonskaia, A. / Qiao, Q. / Railkar, A. / Rossman, P. / Sun, H. / Xiang, Q. / Vilenchik, M. / Wovkulich, P. / Zhang, X.
External linksBioorg. Med. Chem. Lett. / PubMed:24239188
MethodsX-ray diffraction
Resolution2.35 - 2.8 Å
Structure data

PDB-4mq1:
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.35 Å

PDB-4mq2:
The crystal structure of DYRK1a with a bound pyrido[2,3-d]pyrimidine inhibitor
Method: X-RAY DIFFRACTION / Resolution: 2.8 Å

Chemicals

ChemComp-2C3:
N-(5-{[(1R)-3-amino-1-(3-chlorophenyl)propyl]carbamoyl}-2-chlorophenyl)-2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidine-6-carboxamide

ChemComp-1PE:
PENTAETHYLENE GLYCOL / precipitant*YM

ChemComp-SO4:
SULFATE ION

ChemComp-HOH:
WATER

ChemComp-2C4:
methyl 4-chloro-3-{[(2-methoxy-7-oxo-7,8-dihydropyrido[2,3-d]pyrimidin-6-yl)carbonyl]amino}benzoate

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / dyrk1a / dyrk1b / kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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