2pvh: Difference between revisions

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-[[Image:2pvh.png|left|200px]]
-{{STRUCTURE_2pvh|  PDB=2pvh  |  SCENE=  }}
+==Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2==
+<StructureSection load='2pvh' size='340' side='right'caption='[[2pvh]], [[Resolution|resolution]] 2.20&Aring;' scene=''>
+== Structural highlights ==
+<table><tr><td colspan='2'>[[2pvh]] is a 1 chain structure with sequence from [https://en.wikipedia.org/wiki/Zea_mays Zea mays]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2PVH OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2PVH 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]] 2.2&#8491;</td></tr>
+<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=CSO:S-HYDROXYCYSTEINE'>CSO</scene>, <scene name='pdbligand=P19:N,N-DIPHENYLPYRAZOLO[1,5-A][1,3,5]TRIAZINE-2,4-DIAMINE'>P19</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=2pvh FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2pvh OCA], [https://pdbe.org/2pvh PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2pvh RCSB], [https://www.ebi.ac.uk/pdbsum/2pvh PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2pvh ProSAT]</span></td></tr>
+</table>
+== Function ==
+[https://www.uniprot.org/uniprot/CSK2A_MAIZE CSK2A_MAIZE] Casein kinases are operationally defined by their preferential utilization of acidic proteins such as caseins as substrates. The alpha chain contains the catalytic site.
+== 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/pv/2pvh_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=2pvh ConSurf].
+<div style="clear:both"></div>
+<div style="background-color:#fffaf0;">
+== Publication Abstract from PubMed ==
+The structure-based design, synthesis, and anticancer activity of novel inhibitors of protein kinase CK2 are described. Using pyrazolo[1,5-a][1,3,5]triazine as the core scaffold, a structure-guided series of modifications provided pM inhibitors with microM-level cytotoxic activity in cell-based assays with prostate and colon cancer cell lines.
-===Structure-Based Design of Pyrazolo[1,5-a][1,3,5]triazine Derivatives as Potent Inhibitors of Protein Kinase CK2===
+Structure-based design, synthesis, and study of pyrazolo[1,5-a][1,3,5]triazine derivatives as potent inhibitors of protein kinase CK2.,Nie Z, Perretta C, Erickson P, Margosiak S, Almassy R, Lu J, Averill A, Yager KM, Chu S Bioorg Med Chem Lett. 2007 Aug 1;17(15):4191-5. Epub 2007 May 18. PMID:17540560<ref>PMID:17540560</ref>
-{{ABSTRACT_PUBMED_17540560}}
+From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
+</div>
-==About this Structure==
+<div class="pdbe-citations 2pvh" style="background-color:#fffaf0;"></div>
-[[2pvh]] is a 1 chain structure of [[Casein kinase]] with sequence from [http://en.wikipedia.org/wiki/Zea_mays Zea mays]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2PVH OCA].
 ==See Also==
-*[[Casein kinase|Casein kinase]]
+*[[Casein kinase 3D structures|Casein kinase 3D structures]]
+== References ==
-==Reference==
+<references/>
-<ref group="xtra">PMID:017540560</ref><references group="xtra"/>
+__TOC__
-[[Category: Non-specific serine/threonine protein kinase]]
+</StructureSection>
+[[Category: Large Structures]]
 [[Category: Zea mays]]
-[[Category: Almassy, R.]]
+[[Category: Almassy R]]
-[[Category: Averill, A.]]
+[[Category: Averill A]]
-[[Category: Chu, S.]]
+[[Category: Chu S]]
-[[Category: Erickson, P.]]
+[[Category: Erickson P]]
-[[Category: Lu, J.]]
+[[Category: Lu J]]
-[[Category: Margosiak, S.]]
+[[Category: Margosiak S]]
-[[Category: Nie, Z.]]
+[[Category: Nie Z]]
-[[Category: Perretta, C.]]
+[[Category: Perretta C]]
-[[Category: Yager, K M.]]
+[[Category: Yager KM]]
-[[Category: Casein kinase ii]]
-[[Category: Enzyme-inhibitor complex]]
-[[Category: Protein kinase ck2]]
-[[Category: Structure-based drug design]]
-[[Category: Transferase]]