4JPS

Co-crystal Structures of the Lipid Kinase PI3K alpha with Pan and Isoform Selective Inhibitors

Summary for 4JPS

Entry DOI	10.2210/pdb4jps/pdb
Descriptor	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform, Phosphatidylinositol 3-kinase regulatory subunit alpha, THIOCYANATE ION, ... (5 entities in total)
Functional Keywords	class i phosphatidylinositol 3-kinases, p85 alpha, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (human) More
Total number of polymer chains	2
Total formula weight	160930.13
Authors	Knapp, M.S.,Elling, R.A. (deposition date: 2013-03-19, release date: 2014-04-02, Last modification date: 2024-05-22)
Primary citation	Furet, P.,Guagnano, V.,Fairhurst, R.A.,Imbach-Weese, P.,Bruce, I.,Knapp, M.,Fritsch, C.,Blasco, F.,Blanz, J.,Aichholz, R.,Hamon, J.,Fabbro, D.,Caravatti, G. Discovery of NVP-BYL719 a potent and selective phosphatidylinositol-3 kinase alpha inhibitor selected for clinical evaluation. Bioorg.Med.Chem.Lett., 23:3741-3748, 2013 Cited by PubMed: 23726034 DOI: 10.1016/j.bmcl.2013.05.007 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.2 Å)

Structure validation