4bi1

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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='4bi1' size='340' side='right' caption='[[4bi1]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
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<StructureSection load='4bi1' size='340' side='right'caption='[[4bi1]], [[Resolution|resolution]] 2.70&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
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<table><tr><td colspan='2'>[[4bi1]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=4BI1 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=4BI1 FirstGlance]. <br>
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<table><tr><td colspan='2'>[[4bi1]] 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=4BI1 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4BI1 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=ZO6:THIENO[3,2-C][2,6]NAPHTHYRIDINE'>ZO6</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]] 2.7&#8491;</td></tr>
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[4bhz|4bhz]], [[4bi0|4bi0]], [[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=ZO6:THIENO[3,2-C][2,6]NAPHTHYRIDINE'>ZO6</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=4bi1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi1 OCA], [https://pdbe.org/4bi1 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4bi1 RCSB], [https://www.ebi.ac.uk/pdbsum/4bi1 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4bi1 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=4bi1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4bi1 OCA], [http://pdbe.org/4bi1 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=4bi1 RCSB], [http://www.ebi.ac.uk/pdbsum/4bi1 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=4bi1 ProSAT]</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>
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<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
== Publication Abstract from PubMed ==
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==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]]
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[[Category: Homo sapiens]]
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[[Category: Human]]
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[[Category: Large Structures]]
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[[Category: Blagg, J]]
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[[Category: Blagg J]]
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[[Category: Brown, N]]
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[[Category: Brown N]]
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[[Category: Langdon, S R]]
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[[Category: Langdon SR]]
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[[Category: Montfort, R L.M van]]
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[[Category: Westwood IM]]
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[[Category: Westwood, I M]]
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[[Category: Van Montfort RLM]]
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[[Category: Mitosis]]
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[[Category: Protein kinase]]
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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 4bi1

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