2xf0: Difference between revisions

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-[[Image:2xf0.png|left|200px]]
+==CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS==
+<StructureSection load='2xf0' size='340' side='right' caption='[[2xf0]], [[Resolution|resolution]] 2.40&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2xf0]] is a 1 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=2XF0 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2XF0 FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=4UB:3-PHENYL-6-(1H-PYRAZOL-4-YL)IMIDAZO[1,2-A]PYRAZINE'>4UB</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene><br>
+<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2wmt|2wmt]], [[2cgx|2cgx]], [[2bro|2bro]], [[2c3j|2c3j]], [[2brb|2brb]], [[2wmw|2wmw]], [[2x8d|2x8d]], [[2wmu|2wmu]], [[2wmr|2wmr]], [[2brh|2brh]], [[2cgv|2cgv]], [[2x8e|2x8e]], [[2c3k|2c3k]], [[1nvr|1nvr]], [[2wmq|2wmq]], [[2cgw|2cgw]], [[1zlt|1zlt]], [[2brn|2brn]], [[2wmx|2wmx]], [[2ayp|2ayp]], [[1zys|1zys]], [[2cgu|2cgu]], [[1ia8|1ia8]], [[2br1|2br1]], [[2brg|2brg]], [[1nvs|1nvs]], [[1nvq|1nvq]], [[2brm|2brm]], [[2wms|2wms]], [[2wmv|2wmv]], [[2c3l|2c3l]], [[2x8i|2x8i]], [[2xez|2xez]], [[2xey|2xey]]</td></tr>
+<tr><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Non-specific_serine/threonine_protein_kinase Non-specific serine/threonine protein kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.11.1 2.7.11.1] </span></td></tr>
+<tr><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2xf0 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2xf0 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2xf0 RCSB], [http://www.ebi.ac.uk/pdbsum/2xf0 PDBsum]</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/xf/2xf0_consurf.spt"</scriptWhenChecked>
+    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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/chain_selection.php?pdb_ID=2ata ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+A range of 3,6-di(hetero)arylimidazo[1,2-a]pyrazine ATP-competitive inhibitors of CHK1 were developed by scaffold hopping from a weakly active screening hit. Efficient synthetic routes for parallel synthesis were developed to prepare analogues with improved potency and ligand efficiency against CHK1. Kinase profiling showed that the imidazo[1,2-a]pyrazines could inhibit other kinases, including CHK2 and ABL, with equivalent or better potency depending on the pendant substitution. These 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines appear to represent a general kinase inhibitor scaffold.
-{{STRUCTURE_2xf0|  PDB=2xf0  |  SCENE=  }}
+Design and evaluation of 3,6-di(hetero)aryl imidazo[1,2-a]pyrazines as inhibitors of checkpoint and other kinases.,Matthews TP, McHardy T, Klair S, Boxall K, Fisher M, Cherry M, Allen CE, Addison GJ, Ellard J, Aherne GW, Westwood IM, van Montfort R, Garrett MD, Reader JC, Collins I Bioorg Med Chem Lett. 2010 Jul 15;20(14):4045-9. Epub 2010 May 27. PMID:20561787<ref>PMID:20561787</ref>
-===CRYSTAL STRUCTURE OF CHECKPOINT KINASE 1 (CHK1) IN COMPLEX WITH INHIBITORS===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_20561787}}
-==About this Structure==
-[[2xf0]] is a 1 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=2XF0 OCA].
 ==See Also==
 *[[Serine/threonine protein kinase|Serine/threonine protein kinase]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:020561787</ref><ref group="xtra">PMID:019572549</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
 [[Category: Non-specific serine/threonine protein kinase]]