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==Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach==
==Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach==
<StructureSection load='5ehy' size='340' side='right' caption='[[5ehy]], [[Resolution|resolution]] 2.26&Aring;' scene=''>
<StructureSection load='5ehy' size='340' side='right'caption='[[5ehy]], [[Resolution|resolution]] 2.26&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5ehy]] 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=5EHY OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EHY FirstGlance]. <br>
<table><tr><td colspan='2'>[[5ehy]] 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=5EHY OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5EHY FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5O4:4-(FURAN-3-YL)-3-PHENYL-2~{H}-PYRAZOLO[4,3-C]PYRIDINE'>5O4</scene>, <scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</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]] 2.26&#8491;</td></tr>
<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5eh0|5eh0]]</td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=5O4:4-(FURAN-3-YL)-3-PHENYL-2~{H}-PYRAZOLO[4,3-C]PYRIDINE'>5O4</scene>, <scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</scene>, <scene name='pdbligand=EDO:1,2-ETHANEDIOL'>EDO</scene></td></tr>
<tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">TTK, MPS1, MPS1L1 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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=5ehy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ehy OCA], [https://pdbe.org/5ehy PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ehy RCSB], [https://www.ebi.ac.uk/pdbsum/5ehy PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ehy ProSAT]</span></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'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5ehy FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ehy OCA], [http://pdbe.org/5ehy PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ehy RCSB], [http://www.ebi.ac.uk/pdbsum/5ehy PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ehy ProSAT]</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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</div>
</div>
<div class="pdbe-citations 5ehy" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 5ehy" style="background-color:#fffaf0;"></div>
==See Also==
*[[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: Human]]
[[Category: Large Structures]]
[[Category: Baker, R]]
[[Category: Baker R]]
[[Category: Blagg, J]]
[[Category: Blagg J]]
[[Category: Box, G]]
[[Category: Box G]]
[[Category: Brandon, A De Haven]]
[[Category: Burke R]]
[[Category: Burke, R]]
[[Category: Cronin N]]
[[Category: Cronin, N]]
[[Category: De Haven Brandon A]]
[[Category: Eccles, S A]]
[[Category: Eccles SA]]
[[Category: Faisal, A]]
[[Category: Faisal A]]
[[Category: Fee, L O]]
[[Category: Hayes A]]
[[Category: Hayes, A]]
[[Category: Henley AT]]
[[Category: Henley, A T]]
[[Category: Hoelder S]]
[[Category: Hoelder, S]]
[[Category: Innocenti P]]
[[Category: Innocenti, P]]
[[Category: Linardopoulos S]]
[[Category: Linardopoulos, S]]
[[Category: Mak G]]
[[Category: Mak, G]]
[[Category: Naud N]]
[[Category: Montfort, R L.M van]]
[[Category: O'Fee L]]
[[Category: Naud, N]]
[[Category: Raymaud FI]]
[[Category: Raymaud, F I]]
[[Category: Roberts J]]
[[Category: Roberts, J]]
[[Category: Saville J]]
[[Category: Saville, J]]
[[Category: Schmitt J]]
[[Category: Schmitt, J]]
[[Category: Solanki S]]
[[Category: Solanki, S]]
[[Category: Valenti M]]
[[Category: Valenti, M]]
[[Category: Westwood IM]]
[[Category: Westwood, I M]]
[[Category: Woodward HL]]
[[Category: Woodward, H L]]
[[Category: Van Montfort RLM]]
[[Category: Transferase]]