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Structure paper

TitleThe discovery and optimization of aminooxadiazoles as potent Pim kinase inhibitors.
Journal, issue, pagesBioorg. Med. Chem. Lett., Vol. 25, Page 847-855, Year 2015
Publish dateJul 7, 2014 (structure data deposition date)
AuthorsWurz, R.P. / Pettus, L.H. / Jackson, C. / Wu, B. / Wang, H.L. / Herberich, B. / Cee, V. / Lanman, B.A. / Reed, A.B. / Chavez, F. ...Wurz, R.P. / Pettus, L.H. / Jackson, C. / Wu, B. / Wang, H.L. / Herberich, B. / Cee, V. / Lanman, B.A. / Reed, A.B. / Chavez, F. / Nixey, T. / Laszlo, J. / Wang, P. / Nguyen, Y. / Sastri, C. / Guerrero, N. / Winston, J. / Lipford, J.R. / Lee, M.R. / Andrews, K.L. / Mohr, C. / Xu, Y. / Zhou, Y. / Reid, D.L. / Tasker, A.S.
External linksBioorg. Med. Chem. Lett. / PubMed:25599837
MethodsX-ray diffraction
Resolution2.7 Å
Structure data

PDB-4ty1:
Crystal structure of human Pim-1 kinase in complex with an aminooxadiazole-indole inhibitor.
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

Chemicals

ChemComp-38W:
N-tert-butyl-5-[3-(4-cyclopropylpyrimidin-2-yl)-1H-indol-5-yl]-1,3,4-oxadiazol-2-amine

ChemComp-GOL:
GLYCEROL

ChemComp-HOH:
WATER

Source
  • homo sapiens (human)
KeywordsTRANSFERASE/TRANSFERASE INHIBITOR / TRANSFERASE / serine/threonine-protein kinase / TRANSFERASE-TRANSFERASE INHIBITOR complex

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