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==Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor==
==Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor==
<StructureSection load='4bi2' size='340' side='right' caption='[[4bi2]], [[Resolution|resolution]] 3.11&Aring;' scene=''>
<StructureSection load='4bi2' size='340' side='right'caption='[[4bi2]], [[Resolution|resolution]] 3.11&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[4bi2]] 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=4BI2 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BI2 FirstGlance]. <br>
<table><tr><td colspan='2'>[[4bi2]] is a 1 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=4BI2 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BI2 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=ZO8:THIENO[2,3-C][2,7]NAPHTHYRIDINE'>ZO8</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 3.11&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4bhz|4bhz]], [[4bi0|4bi0]], [[4bi1|4bi1]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene>, <scene name='pdbligand=ZO8:THIENO[2,3-C][2,7]NAPHTHYRIDINE'>ZO8</scene></td></tr>
<tr id='activity'><td class="sblockLbl"><b>Activity:</b></td><td class="sblockDat"><span class='plainlinks'>[http://en.wikipedia.org/wiki/Dual-specificity_kinase Dual-specificity kinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.12.1 2.7.12.1] </span></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=4bi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi2 OCA], [https://pdbe.org/4bi2 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bi2 RCSB], [https://www.ebi.ac.uk/pdbsum/4bi2 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bi2 ProSAT]</span></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4bi2 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi2 OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bi2 RCSB], [http://www.ebi.ac.uk/pdbsum/4bi2 PDBsum]</span></td></tr>
</table>
</table>
== Function ==
== Function ==
[[http://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN]] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>
[https://www.uniprot.org/uniprot/TTK_HUMAN TTK_HUMAN] Phosphorylates proteins on serine, threonine, and tyrosine. Probably associated with cell proliferation. Essential for chromosome alignment by enhancing AURKB activity (via direct CDCA8 phosphorylation) at the centromere, and for the mitotic checkpoint.<ref>PMID:18243099</ref>  
<div style="background-color:#fffaf0;">
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
</div>
<div class="pdbe-citations 4bi2" style="background-color:#fffaf0;"></div>


==See Also==
==See Also==
*[[Dual specificity protein kinase|Dual specificity protein kinase]]
*[[Dual specificity protein kinase 3D structures|Dual specificity protein kinase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Dual-specificity kinase]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
[[Category: Blagg, J]]
[[Category: Large Structures]]
[[Category: Brown, N]]
[[Category: Blagg J]]
[[Category: Langdon, S R]]
[[Category: Brown N]]
[[Category: Montfort, R L.M van]]
[[Category: Langdon SR]]
[[Category: Westwood, I M]]
[[Category: Westwood IM]]
[[Category: Mitosis]]
[[Category: Van Montfort RLM]]
[[Category: Transferase]]
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