2UVZ

Structure of PKA-PKB chimera complexed with C-Phenyl-C-(4-(9H-purin-6- yl)-phenyl)-methylamine

Summary for 2UVZ

• Entry DOI: 10.2210/pdb2uvz/pdb
• Related: 1CMK 1KMU 1KMW 1Q24 1Q61 1Q62 1Q8T 1Q8U 1Q8W 1SMH 1STC 1SVE 1SVG 1SVH 1SZM 1VEB 1XH4 1XH5 1XH6 1XH7 1XH8 1XH9 1XHA 1YDR 1YDS 1YDT 2C1A 2C1B 2F7E 2GFC 2GNF 2GNG 2GNH 2GNI 2GNJ 2GNL 2JDS 2JDT 2JDV 2UVX 2UVY 2UW0
• Descriptor: CAMP-DEPENDENT PROTEIN KINASE, ALPHA-CATALYTIC SUBUNIT, CAMP-DEPENDENT PROTEIN KINASE INHIBITOR ALPHA, (S)-1-PHENYL-1-[4-(9H-PURIN-6-YL)PHENYL]METHANAMINE, ... (4 entities in total)
• Functional Keywords: transferase/inhibitor, camp, kinase, myristate, transferase, lipoprotein, serine/threonine-protein kinase, nucleotide-binding, protein kinase inhibitor, atp-binding, nuclear protein, phosphorylation, transferase-inhibitor complex
• Biological source: BOS TAURUS (BOVINE); More
• Cellular location: Cytoplasm: P00517
• Total number of polymer chains: 2
• Total formula weight: 43438.35

Authors

Davies, T.G.,Donald, A.,McHardy, T.,Rowlands, M.G.,Hunter, L.J.,Boyle, R.G.,Aherne, G.W.,Garrett, M.D.,Collins, I. (deposition date: 2007-03-15, release date: 2007-05-08, Last modification date: 2024-11-20)

Primary citation

Donald, A.,Mchardy, T.,Rowlands, M.G.,Hunter, L.J.,Davies, T.G.,Berdini, V.,Boyle, R.G.,Aherne, G.W.,Garrett, M.D.,Collins, I.
Rapid Evolution of 6-Phenylpurine Inhibitors of Protein Kinase B Through Structure-Based Design
J.Med.Chem., 50:2289-, 2007

PubMed Abstract: 6-phenylpurines were identified as novel, ATP-competitive inhibitors of protein kinase B (PKB/Akt) from a fragment-based screen and were rapidly progressed to potent compounds using iterative protein-ligand crystallography with a PKA-PKB chimeric protein. An elaborated lead compound showed cell growth inhibition and effects on cellular signaling pathways characteristic of PKB inhibition.

PubMed: 17451235
DOI: 10.1021/JM0700924

Experimental method

X-RAY DIFFRACTION (1.94 Å)