5EDS

Crystal structure of human PI3K-gamma in complex with benzimidazole inhibitor 5

Summary for 5EDS

• Entry DOI: 10.2210/pdb5eds/pdb
• Descriptor: Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform, SULFATE ION, 4-azanyl-6-[[(1~{S})-1-[6-fluoranyl-1-(3-methylsulfonylphenyl)benzimidazol-2-yl]ethyl]amino]pyrimidine-5-carbonitrile, ... (4 entities in total)
• Functional Keywords: inhibitor, phosphotransferase, p110, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Cellular location: Cytoplasm : P48736
• Total number of polymer chains: 1
• Total formula weight: 110506.67

Authors

Whittington, D.A.,Tang, J.,Yakowec, P. (deposition date: 2015-10-21, release date: 2015-12-30, Last modification date: 2023-09-27)

• Primary citation: Shin, Y.,Suchomel, J.,Cardozo, M.,Duquette, J.,He, X.,Henne, K.,Hu, Y.L.,Kelly, R.C.,McCarter, J.,McGee, L.R.,Medina, J.C.,Metz, D.,San Miguel, T.,Mohn, D.,Tran, T.,Vissinga, C.,Wong, S.,Wannberg, S.,Whittington, D.A.,Whoriskey, J.,Yu, G.,Zalameda, L.,Zhang, X.,Cushing, T.D.; Discovery, Optimization, and in Vivo Evaluation of Benzimidazole Derivatives AM-8508 and AM-9635 as Potent and Selective PI3K delta Inhibitors.; J.Med.Chem., 59:431-447, 2016; PubMed: 26652588; DOI: 10.1021/acs.jmedchem.5b01651

Experimental method

X-RAY DIFFRACTION (2.8 Å)