4bhz

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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==
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<StructureSection load='4bhz' size='340' side='right' caption='[[4bhz]], [[Resolution|resolution]] 2.85&Aring;' scene=''>
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<StructureSection load='4bhz' size='340' side='right'caption='[[4bhz]], [[Resolution|resolution]] 2.85&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4bhz]] 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=4BHZ OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BHZ FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4bhz]] 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=4BHZ OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BHZ FirstGlance]. <br>
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</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=Z0B:THIENO[2,3-C][2,6]NAPHTHYRIDINE'>Z0B</scene></td></tr>
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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]] 2.85&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4bi0|4bi0]], [[4bi1|4bi1]], [[4bi2|4bi2]]</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=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=Z0B:THIENO[2,3-C][2,6]NAPHTHYRIDINE'>Z0B</scene></td></tr>
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<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>
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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=4bhz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bhz OCA], [https://pdbe.org/4bhz PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bhz RCSB], [https://www.ebi.ac.uk/pdbsum/4bhz PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bhz ProSAT]</span></td></tr>
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<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=4bhz FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bhz OCA], [http://www.rcsb.org/pdb/explore.do?structureId=4bhz RCSB], [http://www.ebi.ac.uk/pdbsum/4bhz PDBsum]</span></td></tr>
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</table>
</table>
== Function ==
== Function ==
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[[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>
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[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>
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<div class="pdbe-citations 4bhz" style="background-color:#fffaf0;"></div>
==See Also==
==See Also==
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*[[Dual specificity protein kinase|Dual specificity protein kinase]]
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*[[Dual specificity protein kinase 3D structures|Dual specificity protein kinase 3D structures]]
== References ==
== References ==
<references/>
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
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[[Category: Dual-specificity kinase]]
 
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Blagg, J]]
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[[Category: Large Structures]]
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[[Category: Brown, N]]
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[[Category: Blagg J]]
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[[Category: Langdon, S R]]
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[[Category: Brown N]]
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[[Category: Montfort, R L.M van]]
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[[Category: Langdon SR]]
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[[Category: Westwood, I M]]
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[[Category: Westwood IM]]
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[[Category: Mitosis]]
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[[Category: Van Montfort RLM]]
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[[Category: Transferase]]
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Current revision

Scaffold Focused Virtual Screening: Prospective Application to the Discovery of TTK Inhibitor

PDB ID 4bhz

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