5NGB

X-Ray Diffraction Crystal Structure of the murine PI3K p110delta in complex with a pan inhibitor

Summary for 5NGB

Entry DOI	10.2210/pdb5ngb/pdb
Descriptor	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform, 3-[[4-(2-morpholin-4-yl-4-oxidanylidene-3~{H}-quinolin-8-yl)-1,2,3-triazol-1-yl]methyl]benzoic acid (2 entities in total)
Functional Keywords	pi3k p110, transferase
Biological source	Mus musculus (House Mouse)
Total number of polymer chains	1
Total formula weight	124744.51
Authors	Berndt, A.,Williams, R.L. (deposition date: 2017-03-17, release date: 2017-09-13, Last modification date: 2024-01-17)
Primary citation	Pirali, T.,Ciraolo, E.,Aprile, S.,Massarotti, A.,Berndt, A.,Griglio, A.,Serafini, M.,Mercalli, V.,Landoni, C.,Campa, C.C.,Margaria, J.P.,Silva, R.L.,Grosa, G.,Sorba, G.,Williams, R.,Hirsch, E.,Tron, G.C. Identification of a Potent Phosphoinositide 3-Kinase Pan Inhibitor Displaying a Strategic Carboxylic Acid Group and Development of Its Prodrugs. ChemMedChem, 12:1542-1554, 2017 Cited by PubMed: 28857471 DOI: 10.1002/cmdc.201700340 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.9 Å)

Structure validation