4c4e: Difference between revisions
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==Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1== | ==Structure-based design of orally bioavailable pyrrolopyridine inhibitors of the mitotic kinase MPS1== | ||
<StructureSection load='4c4e' size='340' side='right' caption='[[4c4e]], [[Resolution|resolution]] 2.60Å' scene=''> | <StructureSection load='4c4e' size='340' side='right'caption='[[4c4e]], [[Resolution|resolution]] 2.60Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4c4e]] is a 1 chain structure with sequence from [ | <table><tr><td colspan='2'>[[4c4e]] 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=4C4E OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C4E FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=4T9:N-(3,4-DIMETHOXYPHENYL)-2-(1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDIN-6-AMINE'>4T9</scene>, <scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene> | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=1PE:PENTAETHYLENE+GLYCOL'>1PE</scene>, <scene name='pdbligand=4T9:N-(3,4-DIMETHOXYPHENYL)-2-(1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDIN-6-AMINE'>4T9</scene>, <scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></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=4c4e FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c4e OCA], [https://pdbe.org/4c4e PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c4e RCSB], [https://www.ebi.ac.uk/pdbsum/4c4e PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c4e ProSAT]</span></td></tr> | |||
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[ | |||
</table> | </table> | ||
== Function == | == Function == | ||
[ | [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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==See Also== | ==See Also== | ||
*[[Dual specificity protein kinase|Dual specificity protein kinase]] | *[[Dual specificity protein kinase 3D structures|Dual specificity protein kinase 3D structures]] | ||
== References == | == References == | ||
<references/> | <references/> | ||
__TOC__ | __TOC__ | ||
</StructureSection> | </StructureSection> | ||
[[Category: | [[Category: Homo sapiens]] | ||
[[Category: | [[Category: Large Structures]] | ||
[[Category: Atrash | [[Category: Atrash B]] | ||
[[Category: Baker | [[Category: Baker R]] | ||
[[Category: Bavetsias | [[Category: Bavetsias V]] | ||
[[Category: Blagg | [[Category: Blagg J]] | ||
[[Category: Boxall | [[Category: Boxall K]] | ||
[[Category: Burke R]] | |||
[[Category: Burke | [[Category: Choi V]] | ||
[[Category: Choi | [[Category: Eccles SA]] | ||
[[Category: Eccles | [[Category: Faisal A]] | ||
[[Category: Faisal | [[Category: Gurden M]] | ||
[[Category: Gurden | [[Category: Hayes A]] | ||
[[Category: Hayes | [[Category: Henley A]] | ||
[[Category: Henley | [[Category: Linardopoulos S]] | ||
[[Category: Linardopoulos | [[Category: Liu M]] | ||
[[Category: Liu | [[Category: Mak G]] | ||
[[Category: Mak | [[Category: Matijssen B]] | ||
[[Category: Matijssen | [[Category: McAndrew C]] | ||
[[Category: McAndrew | [[Category: Naud S]] | ||
[[Category: Raynaud FI]] | |||
[[Category: Naud | [[Category: Schmitt J]] | ||
[[Category: Raynaud | [[Category: Sheldrake P]] | ||
[[Category: Schmitt | [[Category: Valenti M]] | ||
[[Category: Sheldrake | [[Category: Westwood IM]] | ||
[[Category: Valenti | [[Category: Wood A]] | ||
[[Category: Westwood | [[Category: De Haven Brandon A]] | ||
[[Category: Wood | [[Category: Van Montfort R]] | ||
[[Category: | |||
[[Category: | |||