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Structure paper

TitleData-Driven Construction of Antitumor Agents with Controlled Polypharmacology.
Journal, issue, pagesJ. Am. Chem. Soc., Vol. 141, Page 15700-15709, Year 2019
Publish dateSep 6, 2018 (structure data deposition date)
AuthorsDa, C. / Zhang, D. / Stashko, M. / Vasileiadi, E. / Parker, R.E. / Minson, K.A. / Huey, M.G. / Huelse, J.M. / Hunter, D. / Gilbert, T.S.K. ...Da, C. / Zhang, D. / Stashko, M. / Vasileiadi, E. / Parker, R.E. / Minson, K.A. / Huey, M.G. / Huelse, J.M. / Hunter, D. / Gilbert, T.S.K. / Norris-Drouin, J. / Miley, M. / Herring, L.E. / Graves, L.M. / DeRyckere, D. / Earp, H.S. / Graham, D.K. / Frye, S.V. / Wang, X. / Kireev, D.
External linksJ. Am. Chem. Soc. / PubMed:31497954
MethodsX-ray diffraction
Resolution2.893 Å
Structure data

PDB-6mep:
Crystal structure of the catalytic domain of the proto-oncogene tyrosine-protein kinase MER in complex with inhibitor UNC3437
Method: X-RAY DIFFRACTION / Resolution: 2.893 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-9VS:
cis-4-[(2-[(4-{[4-(1,3-dioxolan-2-yl)pyridin-2-yl]ethynyl}phenyl)amino]-5-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}pyrimidin-4-yl)amino]cyclohexan-1-ol

ChemComp-MG:
Unknown entry

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTransferase/Transferase Inhibitor / Macrocyclic / Drug Design / Fibrinolytic Agents / Humans / Models / Molecular / Protein Kinase Inhibitors / Proto-Oncogene Proteins / Pyrimidines / Receptor Protein-Tyrosine Kinases / Structure-Activity Relationship / Thrombosis / Transferase-Transferase Inhibitor complex

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