2uw6: Difference between revisions

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 [[Image:2uw6.jpg|left|200px]]
- {{Structure
+<!--
-|PDB= 2uw6 |SIZE=350|CAPTION= <scene name='initialview01'>2uw6</scene>, resolution 2.23&Aring;
+The line below this paragraph, containing "STRUCTURE_2uw6", creates the "Structure Box" on the page.
-|SITE= <scene name='pdbsite=AC1:Gvo+Binding+Site+For+Chain+A'>AC1</scene>
+You may change the PDB parameter (which sets the PDB file loaded into the applet)
-|LIGAND= <scene name='pdbligand=GVO:(2S)-2-(4-CHLOROPHENYL)-2-[4-(1H-PYRAZOL-4-YL)PHENYL]ETHANAMINE'>GVO</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene>
+or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-|ACTIVITY=
+or leave the SCENE parameter empty for the default display.
-|GENE=
+-->
-|DOMAIN=
+{{STRUCTURE_2uw6|  PDB=2uw6  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2uw6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2uw6 OCA], [http://www.ebi.ac.uk/pdbsum/2uw6 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2uw6 RCSB]</span>
-}}
 '''STRUCTURE OF PKA-PKB CHIMERA COMPLEXED WITH (S)-2-(4-CHLORO-PHENYL)-2-(4-1H-PYRAZOL-4-YL)-PHENYL)-ETHYLAMINE'''
+==Overview==
+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.
 ==About this Structure==
 UW6 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Bos_taurus Bos taurus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2UW6 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:[http://www.ncbi.nlm.nih.gov/pubmed/17451234 17451234]
 [[Category: Bos taurus]]
 [[Category: Protein complex]]
@@ Line 30: / Line 33: @@
 [[Category: Woodhead, S J.]]
 [[Category: Wyatt, P G.]]
-[[Category: atp-binding]]
+[[Category: Atp-binding]]
-[[Category: camp]]
+[[Category: Camp]]
-[[Category: kinase]]
+[[Category: Kinase]]
-[[Category: lipoprotein]]
+[[Category: Lipoprotein]]
-[[Category: myristate]]
+[[Category: Myristate]]
-[[Category: nuclear protein]]
+[[Category: Nuclear protein]]
-[[Category: nucleotide-binding]]
+[[Category: Nucleotide-binding]]
-[[Category: phosphorylation]]
+[[Category: Phosphorylation]]
-[[Category: protein kinase inhibitor]]
+[[Category: Protein kinase inhibitor]]
-[[Category: serine/threonine-protein kinase]]
+[[Category: Serine/threonine-protein kinase]]
-[[Category: transferase]]
+[[Category: Transferase]]
-[[Category: transferase/inhibitor complex]]
+[[Category: Transferase/inhibitor complex]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Apr 30 13:32:38 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 05:05:19 2008''