5ei8: Difference between revisions

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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='5ei8' size='340' side='right' caption='[[5ei8]], [[Resolution|resolution]] 2.17&Aring;' scene=''>
<StructureSection load='5ei8' size='340' side='right'caption='[[5ei8]], [[Resolution|resolution]] 2.17&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[5ei8]] 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=5EI8 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5EI8 FirstGlance]. <br>
<table><tr><td colspan='2'>[[5ei8]] 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=5EI8 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=5EI8 FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=5OE:~{N}-[2-METHOXY-4-(1-METHYLPYRAZOL-4-YL)PHENYL]-8-(1-METHYLPYRAZOL-4-YL)PYRIDO[3,4-D]PYRIMIDIN-2-AMINE'>5OE</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]] 2.17&#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=5OE:~{N}-[2-METHOXY-4-(1-METHYLPYRAZOL-4-YL)PHENYL]-8-(1-METHYLPYRAZOL-4-YL)PYRIDO[3,4-D]PYRIMIDIN-2-AMINE'>5OE</scene>, <scene name='pdbligand=DMS:DIMETHYL+SULFOXIDE'>DMS</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=5ei8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ei8 OCA], [https://pdbe.org/5ei8 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=5ei8 RCSB], [https://www.ebi.ac.uk/pdbsum/5ei8 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=5ei8 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=5ei8 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5ei8 OCA], [http://pdbe.org/5ei8 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5ei8 RCSB], [http://www.ebi.ac.uk/pdbsum/5ei8 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5ei8 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 5ei8" style="background-color:#fffaf0;"></div>
<div class="pdbe-citations 5ei8" 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]]

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