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Structure paper

TitleDiscovery of Mer specific tyrosine kinase inhibitors for the treatment and prevention of thrombosis.
Journal, issue, pagesJ. Med. Chem., Vol. 56, Page 9693-9700, Year 2013
Publish dateAug 29, 2013 (structure data deposition date)
AuthorsZhang, W. / McIver, A.L. / Stashko, M.A. / DeRyckere, D. / Branchford, B.R. / Hunter, D. / Kireev, D. / Miley, M.J. / Norris-Drouin, J. / Stewart, W.M. ...Zhang, W. / McIver, A.L. / Stashko, M.A. / DeRyckere, D. / Branchford, B.R. / Hunter, D. / Kireev, D. / Miley, M.J. / Norris-Drouin, J. / Stewart, W.M. / Lee, M. / Sather, S. / Zhou, Y. / Di Paola, J.A. / Machius, M. / Janzen, W.P. / Earp, H.S. / Graham, D.K. / Frye, S.V. / Wang, X.
External linksJ. Med. Chem. / PubMed:24219778
MethodsX-ray diffraction
Resolution2.51 - 2.59 Å
Structure data

PDB-4mh7:
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1896
Method: X-RAY DIFFRACTION / Resolution: 2.51 Å

PDB-4mha:
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC1817
Method: X-RAY DIFFRACTION / Resolution: 2.59 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-MG:
Unknown entry

ChemComp-MH7:
N-butyl-2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-methylpyrimidine-5-carboxamide

ChemComp-HOH:
WATER

ChemComp-4MH:
2-(butylamino)-4-[(trans-4-hydroxycyclohexyl)amino]-N-(4-sulfamoylbenzyl)pyrimidine-5-carboxamide

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TYROSINE KINASE / ACUTE LYMPHOBLASTIC LEUKEMIA / RATIONAL STRUCTURE BASED DRUG DESIGN / TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX / RATIONAL STRUCTURE-BASED DRUG DESIGN

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