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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='5eho' size='340' side='right' caption='[[5eho]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
<StructureSection load='5eho' size='340' side='right'caption='[[5eho]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5eho]] is a 1 chain structure. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5EHO OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EHO FirstGlance]. <br>
<table><tr><td colspan='2'>[[5eho]] 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=5EHO OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5EHO FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5O1:~{N}8-CYCLOHEXYL-~{N}2-[2-METHOXY-4-(1-METHYLPYRAZOL-4-YL)PHENYL]PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE'>5O1</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</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]] 2.18&#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=5O1:~{N}8-CYCLOHEXYL-~{N}2-[2-METHOXY-4-(1-METHYLPYRAZOL-4-YL)PHENYL]PYRIDO[3,4-D]PYRIMIDINE-2,8-DIAMINE'>5O1</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</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=5eho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5eho OCA], [https://pdbe.org/5eho PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5eho RCSB], [https://www.ebi.ac.uk/pdbsum/5eho PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5eho 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=5eho FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5eho OCA], [http://pdbe.org/5eho PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5eho RCSB], [http://www.ebi.ac.uk/pdbsum/5eho PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5eho 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>  
 
==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: Baker, R]]
[[Category: Large Structures]]
[[Category: Blagg, J]]
[[Category: Baker R]]
[[Category: Box, G]]
[[Category: Blagg J]]
[[Category: Brandon, A De Haven]]
[[Category: Box G]]
[[Category: Burke, R]]
[[Category: Burke R]]
[[Category: Cronin, N]]
[[Category: Cronin N]]
[[Category: Eccles, S A]]
[[Category: De Haven Brandon A]]
[[Category: Faisal, A]]
[[Category: Eccles SA]]
[[Category: Fee, L O]]
[[Category: Faisal A]]
[[Category: Hayes, A]]
[[Category: Hayes A]]
[[Category: Henley, A T]]
[[Category: Henley AT]]
[[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: Montfort, R L.M van]]
[[Category: Naud N]]
[[Category: Naud, N]]
[[Category: O'Fee L]]
[[Category: Raymaud, F I]]
[[Category: Raymaud FI]]
[[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, I M]]
[[Category: Westwood IM]]
[[Category: Woodward, H L]]
[[Category: Woodward HL]]
[[Category: Transferase]]
[[Category: Van Montfort RLM]]

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