3E88

Crystal structures of the kinase domain of AKT2 in complex with ATP-competitive inhibitors

Summary for 3E88

• Entry DOI: 10.2210/pdb3e88/pdb
• Related: 3E87 3E8C 3E8D 3E8E
• Descriptor: RAC-beta serine/threonine-protein kinase, Glycogen synthase kinase-3 beta peptide, 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-{[(2R)-2-amino-3-phenylpropyl]oxy}-1-ethyl-1H-imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol, ... (4 entities in total)
• Functional Keywords: akt2, kinase, gsk3 beta, atp-binding, nucleotide-binding, phosphoprotein, serine/threonine-protein kinase, transferase, wnt signaling pathway
• Biological source: Homo sapiens (human); More
• Cellular location: Cytoplasm: P31751 P49841
• Total number of polymer chains: 4
• Total formula weight: 81314.50

Authors

Concha, N.O.,Elkins, P.A.,Smallwood, A.,Ward, P. (deposition date: 2008-08-19, release date: 2008-10-14, Last modification date: 2021-10-20)

Primary citation

Rouse, M.B.,Seefeld, M.A.,Leber, J.D.,McNulty, K.C.,Sun, L.,Miller, W.H.,Zhang, S.,Minthorn, E.A.,Concha, N.O.,Choudhry, A.E.,Schaber, M.D.,Heerding, D.A.
Aminofurazans as potent inhibitors of AKT kinase
Bioorg.Med.Chem.Lett., 19:1508-1511, 2009

PubMed Abstract: AKT inhibitors containing an imidazopyridine aminofurazan scaffold have been optimized. We have previously disclosed identification of the AKT inhibitor GSK690693, which has been evaluated in clinical trials in cancer patients. Herein we describe recent efforts focusing on investigating a distinct region of this scaffold that have afforded compounds (30 and 32) with comparable activity profiles to that of GSK690693.

PubMed: 19179070
DOI: 10.1016/j.bmcl.2009.01.002

Experimental method

X-RAY DIFFRACTION (2.5 Å)