4c4f: 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='4c4f' size='340' side='right' caption='[[4c4f]], [[Resolution|resolution]] 2.36Å' scene=''> | <StructureSection load='4c4f' size='340' side='right'caption='[[4c4f]], [[Resolution|resolution]] 2.36Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4c4f]] is a 1 chain structure with sequence from [ | <table><tr><td colspan='2'>[[4c4f]] 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=4C4F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C4F FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7CE:N-(2-METHOXYPHENYL)-2-(1,3-OXAZOL-5-YL)-1H-PYRROLO[3,2-C]PYRIDIN-6-AMINE'>7CE</scene>, <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> | </td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.36Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7CE:N-(2-METHOXYPHENYL)-2-(1,3-OXAZOL-5-YL)-1H-PYRROLO[3,2-C]PYRIDIN-6-AMINE'>7CE</scene>, <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=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=4c4f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c4f OCA], [https://pdbe.org/4c4f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c4f RCSB], [https://www.ebi.ac.uk/pdbsum/4c4f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c4f 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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From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br> | ||
</div> | </div> | ||
<div class="pdbe-citations 4c4f" style="background-color:#fffaf0;"></div> | |||
==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: | |||