3be9

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{{Seed}}
 
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[[Image:3be9.jpg|left|200px]]
 
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==Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities==
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The line below this paragraph, containing "STRUCTURE_3be9", creates the "Structure Box" on the page.
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<StructureSection load='3be9' size='340' side='right'caption='[[3be9]], [[Resolution|resolution]] 2.00&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3be9]] 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=3BE9 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3BE9 FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</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&#8491;</td></tr>
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<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=P04:19-(CYCLOPROPYLAMINO)-4,6,7,15-TETRAHYDRO-5H-16,1-(AZENOMETHENO)-10,14-(METHENO)PYRAZOLO[4,3-O][1,3,9]TRIAZACYCLOHEXADECIN-8(9H)-ONE'>P04</scene></td></tr>
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{{STRUCTURE_3be9| PDB=3be9 | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3be9 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3be9 OCA], [https://pdbe.org/3be9 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3be9 RCSB], [https://www.ebi.ac.uk/pdbsum/3be9 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3be9 ProSAT]</span></td></tr>
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</table>
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== Function ==
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[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.
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/be/3be9_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</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=3be9 ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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A series of macrocyclic derivatives has been designed and synthesized based on the X-ray co-crystal structures of pyrazolo[1,5-a] [1,3,5]triazines with corn CK2 (cCK2) protein. Bioassays demonstrated that these macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds are potent CK2 inhibitors with K(i) around 1.0 nM and strongly inhibit cancer cell growth with IC(50) as low as approximately 100 nM.
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===Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities===
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Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities.,Nie Z, Perretta C, Erickson P, Margosiak S, Lu J, Averill A, Almassy R, Chu S Bioorg Med Chem Lett. 2008 Jan 15;18(2):619-23. Epub 2007 Nov 28. PMID:18055206<ref>PMID:18055206</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3be9" style="background-color:#fffaf0;"></div>
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==See Also==
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The line below this paragraph, {{ABSTRACT_PUBMED_18055206}}, adds the Publication Abstract to the page
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*[[Casein kinase 3D structures|Casein kinase 3D structures]]
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(as it appears on PubMed at http://www.pubmed.gov), where 18055206 is the PubMed ID number.
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== References ==
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<references/>
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{{ABSTRACT_PUBMED_18055206}}
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__TOC__
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</StructureSection>
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==About this Structure==
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[[Category: Large Structures]]
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3BE9 is a 1 chain structure of 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=3BE9 OCA].
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==Reference==
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Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities., Nie Z, Perretta C, Erickson P, Margosiak S, Lu J, Averill A, Almassy R, Chu S, Bioorg Med Chem Lett. 2008 Jan 15;18(2):619-23. Epub 2007 Nov 28. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/18055206 18055206]
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[[Category: Non-specific serine/threonine protein kinase]]
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[[Category: Zea mays]]
[[Category: Zea mays]]
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[[Category: Almassy, R.]]
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[[Category: Almassy R]]
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[[Category: Averill, A.]]
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[[Category: Averill A]]
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[[Category: Chu, S.]]
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[[Category: Chu S]]
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[[Category: Erickson, P.]]
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[[Category: Erickson P]]
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[[Category: Lu, J.]]
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[[Category: Lu J]]
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[[Category: Margosiak, S.]]
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[[Category: Margosiak S]]
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[[Category: Nie, Z.]]
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[[Category: Nie Z]]
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[[Category: Perretta, C.]]
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[[Category: Perretta C]]
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[[Category: Atp-binding]]
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[[Category: Casein kinase ii]]
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[[Category: Enzyme-inhibitor complex]]
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[[Category: Nucleotide-binding]]
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[[Category: Protein kinase ck2]]
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[[Category: Serine/threonine-protein kinase]]
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[[Category: Structure-based drug design]]
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[[Category: Transferase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Nov 20 07:40:37 2008''
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Current revision

Structure-based design and synthesis of novel macrocyclic pyrazolo[1,5-a] [1,3,5]triazine compounds as potent inhibitors of protein kinase CK2 and their anticancer activities

PDB ID 3be9

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