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Structure paper

TitleStructure Guided Optimization, in Vitro Activity, and in Vivo Activity of Pan-PIM Kinase Inhibitors.
Journal, issue, pagesACS Med Chem Lett, Vol. 4, Page 1193-1197, Year 2013
Publish dateOct 14, 2013 (structure data deposition date)
AuthorsBurger, M.T. / Han, W. / Lan, J. / Nishiguchi, G. / Bellamacina, C. / Lindval, M. / Atallah, G. / Ding, Y. / Mathur, M. / McBride, C. ...Burger, M.T. / Han, W. / Lan, J. / Nishiguchi, G. / Bellamacina, C. / Lindval, M. / Atallah, G. / Ding, Y. / Mathur, M. / McBride, C. / Beans, E.L. / Muller, K. / Tamez, V. / Zhang, Y. / Huh, K. / Feucht, P. / Zavorotinskaya, T. / Dai, Y. / Holash, J. / Castillo, J. / Langowski, J. / Wang, Y. / Chen, M.Y. / Garcia, P.D.
External linksACS Med Chem Lett / PubMed:24900629
MethodsX-ray diffraction
Resolution2.1 - 2.6 Å
Structure data

PDB-4n6y:
Pim1 Complexed with a phenylcarboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.6 Å

PDB-4n6z:
Pim1 Complexed with a pyridylcarboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.2 Å

PDB-4n70:
Pim1 Complexed with a pyridylcarboxamide
Method: X-RAY DIFFRACTION / Resolution: 2.1 Å

Chemicals

ChemComp-2HV:
2-(acetylamino)-N-[2-(piperidin-1-yl)phenyl]-1,3-thiazole-4-carboxamide

ChemComp-HOH:
WATER

ChemComp-2HW:
3-amino-N-{4-[(3S)-3-aminopiperidin-1-yl]pyridin-3-yl}pyrazine-2-carboxamide

ChemComp-GOL:
GLYCEROL

ChemComp-2HX:
N-{4-[(3R,4R,5S)-3-amino-4-hydroxy-5-methylpiperidin-1-yl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide

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

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