2uw9: Difference between revisions

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-[[Image:2uw9.png|left|200px]]
-{{STRUCTURE_2uw9|  PDB=2uw9  |  SCENE=  }}
+==STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-chloro-phenyl)-4-(4-(1H-pyrazol-4-yl)-phenyl)-piperidine==
+<StructureSection load='2uw9' size='340' side='right'caption='[[2uw9]], [[Resolution|resolution]] 2.10&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2uw9]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2UW9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2UW9 FirstGlance]. <br>
+</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.1&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=GVP:4-(4-CHLOROPHENYL)-4-[4-(1H-PYRAZOL-4-YL)PHENYL]PIPERIDINE'>GVP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
+<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2uw9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2uw9 OCA], [https://pdbe.org/2uw9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2uw9 RCSB], [https://www.ebi.ac.uk/pdbsum/2uw9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2uw9 ProSAT]</span></td></tr>
+</table>
+== Evolutionary Conservation ==
+[[Image:Consurf_key_small.gif|200px|right]]
+Check<jmol>
+  <jmolCheckbox>
+    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/uw/2uw9_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
+    <text>to colour the structure by Evolutionary Conservation</text>
+  </jmolCheckbox>
+</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=2uw9 ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+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.
-===STRUCTURE OF PKB-BETA (AKT2) COMPLEXED WITH 4-(4-CHLORO-PHENYL)-4-(4-(1H-PYRAZOL-4-YL)-PHENYL)-PIPERIDINE===
+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<ref>PMID:17451234</ref>
-{{ABSTRACT_PUBMED_17451234}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
+<div class="pdbe-citations 2uw9" style="background-color:#fffaf0;"></div>
-==About this Structure==
+==See Also==
-[[2uw9]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2UW9 OCA].
+*[[Serine/threonine protein kinase 3D structures|Serine/threonine protein kinase 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:017451234</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
-[[Category: Non-specific serine/threonine protein kinase]]
+[[Category: Large Structures]]
-[[Category: Barford, D.]]
+[[Category: Barford D]]
-[[Category: Berdini, V.]]
+[[Category: Berdini V]]
-[[Category: Boyle, R G.]]
+[[Category: Boyle RG]]
-[[Category: Carr, R A.]]
+[[Category: Carr RA]]
-[[Category: Davies, T G.]]
+[[Category: Davies TG]]
-[[Category: Downham, R.]]
+[[Category: Downham R]]
-[[Category: Garrett, M D.]]
+[[Category: Garrett MD]]
-[[Category: Saxty, G.]]
+[[Category: Saxty G]]
-[[Category: Verdonk, M L.]]
+[[Category: Verdonk ML]]
-[[Category: Woodhead, S J.]]
+[[Category: Woodhead SJ]]
-[[Category: Wyatt, P G.]]
+[[Category: Wyatt PG]]
-[[Category: Atp-binding]]
-[[Category: Kinase]]
-[[Category: Nucleotide-binding]]
-[[Category: Phosphorylation]]
-[[Category: Serine/threonine-protein kinase]]
-[[Category: Transferase]]
-[[Category: Transferase-inhibitor complex]]
-[[Category: Transferase/inhibitor]]
-[[Category: Wnt signaling pathway]]