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Structure paper

TitleDiscovery and in Vivo Evaluation of Dual PI3K-beta/delta inhibitors
Journal, issue, pagesJ. Med. Chem., Vol. 55, Page 7667-7685, Year 2012
Publish dateJun 12, 2012 (structure data deposition date)
AuthorsGonzalez-Lopez de Turiso, F. / Shin, Y. / Brown, M. / Cardozo, M. / Chen, Y. / Fong, D. / Hao, X. / He, X. / Henne, K. / Hu, Y.L. ...Gonzalez-Lopez de Turiso, F. / Shin, Y. / Brown, M. / Cardozo, M. / Chen, Y. / Fong, D. / Hao, X. / He, X. / Henne, K. / Hu, Y.L. / Johnson, M.G. / Kohn, T. / Lohman, J. / McBride, H.J. / McGee, L.R. / Medina, J.C. / Metz, D. / Miner, K. / Mohn, D. / Pattaropong, V. / Seganish, J. / Simard, J.L. / Wannberg, S. / Whittington, D.A. / Yu, G. / Cushing, T.D.
External linksJ. Med. Chem. / PubMed:22876881
MethodsX-ray diffraction
Resolution2.9 - 3 Å
Structure data

PDB-4fjy:
Crystal structure of PI3K-gamma in complex with quinoline-indoline inhibitor 24f
Method: X-RAY DIFFRACTION / Resolution: 2.9 Å

PDB-4fjz:
Crystal structure of PI3K-gamma in complex with pyrrolo-pyridine inhibitor 63
Method: X-RAY DIFFRACTION / Resolution: 3 Å

Chemicals

ChemComp-SO4:
SULFATE ION

ChemComp-FJY:
4-[3,3-dimethyl-6-(morpholin-4-yl)-2,3-dihydro-1H-indol-1-yl]-7-fluoro-3-methyl-2-(pyridin-3-yl)quinoline

ChemComp-HOH:
WATER

ChemComp-4FJ:
1'-[7-fluoro-3-methyl-2-(pyridin-2-yl)quinolin-4-yl]-6'-(morpholin-4-yl)-1',2,2',3,5,6-hexahydrospiro[pyran-4,3'-pyrrolo[3,2-b]pyridine]

Source
  • homo sapiens (human)
KeywordsTransferase/Inhibitor / inflammation / cancer / p110 / C2 domain / leukocytes / kinase / p85 / phosphotransferase / Transferase-Inhibitor complex

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