2uw9: Difference between revisions

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[[Image:2uw9.gif|left|200px]]
{{Seed}}
[[Image:2uw9.png|left|200px]]


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{{STRUCTURE_2uw9|  PDB=2uw9  |  SCENE=  }}  
{{STRUCTURE_2uw9|  PDB=2uw9  |  SCENE=  }}  


'''STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-CHLORO-PHENYL)-4-(4-(1H-PYRAZOL-4-YL)-PHENYL)-PIPERIDINE'''
===STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-CHLORO-PHENYL)-4-(4-(1H-PYRAZOL-4-YL)-PHENYL)-PIPERIDINE===




==Overview==
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Using fragment-based screening techniques, 5-methyl-4-phenyl-1H-pyrazole (IC50 80 microM) was identified as a novel, low molecular weight inhibitor of protein kinase B (PKB). Herein we describe the rapid elaboration of highly potent and ligand efficient analogues using a fragment growing approach. Iterative structure-based design was supported by protein-ligand structure determinations using a PKA-PKB "chimera" and a final protein-ligand structure of a lead compound in PKBbeta itself.
The line below this paragraph, {{ABSTRACT_PUBMED_17451234}}, adds the Publication Abstract to the page
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{{ABSTRACT_PUBMED_17451234}}


==About this Structure==
==About this Structure==
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[[Category: Transferase/inhibitor complex]]
[[Category: Transferase/inhibitor complex]]
[[Category: Wnt signaling pathway]]
[[Category: Wnt signaling pathway]]
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 30 13:33:23 2008''
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 19:11:31 2008''

Revision as of 16:11, 28 July 2008

File:2uw9.png

Template:STRUCTURE 2uw9

STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-CHLORO-PHENYL)-4-(4-(1H-PYRAZOL-4-YL)-PHENYL)-PIPERIDINE

Template:ABSTRACT PUBMED 17451234

About this Structure

2UW9 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Identification of inhibitors of protein kinase B using fragment-based lead discovery., Saxty G, Woodhead SJ, Berdini V, Davies TG, Verdonk ML, Wyatt PG, Boyle RG, Barford D, Downham R, Garrett MD, Carr RA, J Med Chem. 2007 May 17;50(10):2293-6. Epub 2007 Apr 24. PMID:17451234

Page seeded by OCA on Mon Jul 28 19:11:31 2008

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