4EJN

Crystal structure of autoinhibited form of AKT1 in complex with N-(4-(5-(3-acetamidophenyl)-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl)benzyl)-3-fluorobenzamide

Summary for 4EJN

• Entry DOI: 10.2210/pdb4ejn/pdb
• Descriptor: RAC-alpha serine/threonine-protein kinase, N-(4-{5-[3-(acetylamino)phenyl]-2-(2-aminopyridin-3-yl)-3H-imidazo[4,5-b]pyridin-3-yl}benzyl)-3-fluorobenzamide, 2-BUTANOL, ... (5 entities in total)
• Functional Keywords: akt1, autoinhibition, allosteric inhibitor, kinase inhibitor, hydrophobic collapase, kinase, atpase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Cytoplasm: P31749
• Total number of polymer chains: 1
• Total formula weight: 52453.83

Authors

Eathiraj, S. (deposition date: 2012-04-06, release date: 2012-05-23, Last modification date: 2013-01-02)

• Primary citation: Ashwell, M.A.,Lapierre, J.M.,Brassard, C.,Bresciano, K.,Bull, C.,Cornell-Kennon, S.,Eathiraj, S.,France, D.S.,Hall, T.,Hill, J.,Kelleher, E.,Khanapurkar, S.,Kizer, D.,Koerner, S.,Link, J.,Liu, Y.,Makhija, S.,Moussa, M.,Namdev, N.,Nguyen, K.,Nicewonger, R.,Palma, R.,Szwaya, J.,Tandon, M.,Uppalapati, U.,Vensel, D.,Volak, L.P.,Volckova, E.,Westlund, N.,Wu, H.,Yang, R.Y.,Chan, T.C.; Discovery and optimization of a series of 3-(3-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amines: orally bioavailable, selective, and potent ATP-independent Akt inhibitors.; J.Med.Chem., 55:5291-5310, 2012; PubMed: 22533986; DOI: 10.1021/jm300276x

Experimental method

X-RAY DIFFRACTION (2.19 Å)