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Structure paper

TitleDiscovery of Novel Small Molecule Mer Kinase Inhibitors for the Treatment of Pediatric Acute Lymphoblastic Leukemia.
Journal, issue, pagesACS Med Chem Lett, Vol. 3, Page 129-134, Year 2012
Publish dateAug 9, 2011 (structure data deposition date)
AuthorsLiu, J. / Yang, C. / Simpson, C. / Deryckere, D. / Van Deusen, A. / Miley, M.J. / Kireev, D. / Norris-Drouin, J. / Sather, S. / Hunter, D. ...Liu, J. / Yang, C. / Simpson, C. / Deryckere, D. / Van Deusen, A. / Miley, M.J. / Kireev, D. / Norris-Drouin, J. / Sather, S. / Hunter, D. / Korboukh, V.K. / Patel, H.S. / Janzen, W.P. / Machius, M. / Johnson, G.L. / Earp, H.S. / Graham, D.K. / Frye, S.V. / Wang, X.
External linksPubMed:22662287
MethodsX-ray diffraction
Resolution2.69 Å
Structure data

PDB-3tcp:
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC569
Method: X-RAY DIFFRACTION / Resolution: 2.69 Å

Chemicals

ChemComp-CKJ:
1-[(trans-4-aminocyclohexyl)methyl]-N-butyl-3-(4-fluorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-6-amine

ChemComp-CL:
Unknown entry

ChemComp-CA:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / tyrosine kinase / acute lymphoblastic leukemia / rational structure-based drug design / TRANSFERASE-TRANSFERASE INHIBITOR complex

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