2x8d: Difference between revisions

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-[[Image:2x8d.png|left|200px]]
+==DISCOVERY OF A NOVEL CLASS OF TRIAZOLONES AS CHECKPOINT KINASE INHIBITORS - HIT TO LEAD EXPLORATION==
+<StructureSection load='2x8d' size='340' side='right' caption='[[2x8d]], [[Resolution|resolution]] 1.90&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2x8d]] 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=2X8D OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2X8D FirstGlance]. <br>
+</td></tr><tr><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=X8D:5-METHYL[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1(2H)-ONE'>X8D</scene><br>
+<tr><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[2wmt|2wmt]], [[2cgx|2cgx]], [[2c3j|2c3j]], [[2bro|2bro]], [[2brb|2brb]], [[2wmw|2wmw]], [[2wmu|2wmu]], [[2wmr|2wmr]], [[2brh|2brh]], [[2cgv|2cgv]], [[1nvr|1nvr]], [[2c3k|2c3k]], [[2wmq|2wmq]], [[2cgw|2cgw]], [[1zlt|1zlt]], [[2brn|2brn]], [[2ayp|2ayp]], [[2wmx|2wmx]], [[1zys|1zys]], [[2cgu|2cgu]], [[2br1|2br1]], [[1ia8|1ia8]], [[2brg|2brg]], [[1nvs|1nvs]], [[2brm|2brm]], [[1nvq|1nvq]], [[2wmv|2wmv]], [[2wms|2wms]], [[2c3l|2c3l]], [[2x8e|2x8e]], [[2x8i|2x8i]]</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=2x8d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2x8d OCA], [http://www.rcsb.org/pdb/explore.do?structureId=2x8d RCSB], [http://www.ebi.ac.uk/pdbsum/2x8d 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/x8/2x8d_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 ==
+Checkpoint Kinase-1 (Chk1, CHK1, CHEK1) is a Ser/Thr protein kinase that mediates cellular responses to DNA-damage. A novel class of Chk1 inhibitors, triazoloquinolones/triazolones (TZ's) was identified by high throughput screening. The optimization of these hits to provide a lead series is described.
-{{STRUCTURE_2x8d|  PDB=2x8d  |  SCENE=  }}
+Discovery of a novel class of triazolones as Checkpoint Kinase inhibitors--hit to lead exploration.,Oza V, Ashwell S, Brassil P, Breed J, Deng C, Ezhuthachan J, Haye H, Horn C, Janetka J, Lyne P, Newcombe N, Otterbien L, Pass M, Read J, Roswell S, Su M, Toader D, Yu D, Yu Y, Valentine A, Webborn P, White A, Zabludoff S, Zheng X Bioorg Med Chem Lett. 2010 Sep 1;20(17):5133-8. Epub 2010 Jul 29. PMID:20673630<ref>PMID:20673630</ref>
-===DISCOVERY OF A NOVEL CLASS OF TRIAZOLONES AS CHECKPOINT KINASE INHIBITORS - HIT TO LEAD EXPLORATION===
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-{{ABSTRACT_PUBMED_20673630}}
-==About this Structure==
-[[2x8d]] 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=2X8D OCA].
 ==See Also==
 *[[Serine/threonine protein kinase|Serine/threonine protein kinase]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:020673630</ref><references group="xtra"/>
+__TOC__
+</StructureSection>
 [[Category: Homo sapiens]]
 [[Category: Non-specific serine/threonine protein kinase]]