5KCV

Crystal structure of allosteric inhibitor, ARQ 092, in complex with autoinhibited form of AKT1

Summary for 5KCV

Entry DOI	10.2210/pdb5kcv/pdb
Descriptor	RAC-alpha serine/threonine-protein kinase, 3-[3-[4-(1-azanylcyclobutyl)phenyl]-5-phenyl-imidazo[4,5-b]pyridin-2-yl]pyridin-2-amine (3 entities in total)
Functional Keywords	akt, allosteric inhibitor, kinase inhibitor, transferase-inhibitor complex, transferase/inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm: P31749
Total number of polymer chains	1
Total formula weight	53990.53
Authors	Eathiraj, S. (deposition date: 2016-06-07, release date: 2016-06-29, Last modification date: 2023-09-27)
Primary citation	Lapierre, J.M.,Eathiraj, S.,Vensel, D.,Liu, Y.,Bull, C.O.,Cornell-Kennon, S.,Iimura, S.,Kelleher, E.W.,Kizer, D.E.,Koerner, S.,Makhija, S.,Matsuda, A.,Moussa, M.,Namdev, N.,Savage, R.E.,Szwaya, J.,Volckova, E.,Westlund, N.,Wu, H.,Schwartz, B. Discovery of 3-(3-(4-(1-Aminocyclobutyl)phenyl)-5-phenyl-3H-imidazo[4,5-b]pyridin-2-yl)pyridin-2-amine (ARQ 092): An Orally Bioavailable, Selective, and Potent Allosteric AKT Inhibitor. J.Med.Chem., 59:6455-6469, 2016 Cited by PubMed: 27305487 DOI: 10.1021/acs.jmedchem.6b00619 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.7 Å)

Structure validation