4c4h: Difference between revisions
No edit summary |
No edit summary |
||
| (2 intermediate revisions by the same user not shown) | |||
| Line 1: | Line 1: | ||
==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='4c4h' size='340' side='right' caption='[[4c4h]], [[Resolution|resolution]] 2.80Å' scene=''> | <StructureSection load='4c4h' size='340' side='right'caption='[[4c4h]], [[Resolution|resolution]] 2.80Å' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>[[4c4h]] is a 1 chain structure with sequence from [ | <table><tr><td colspan='2'>[[4c4h]] 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=4C4H OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=4C4H FirstGlance]. <br> | ||
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=7RO:TERT-BUTYL+6-((2-CHLORO-4-(DIMETHYLCARBAMOYL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE'>7RO</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]] 2.8Å</td></tr> | ||
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=7PE:2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL'>7PE</scene>, <scene name='pdbligand=7RO:TERT-BUTYL+6-((2-CHLORO-4-(DIMETHYLCARBAMOYL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE'>7RO</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=4c4h FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=4c4h OCA], [https://pdbe.org/4c4h PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=4c4h RCSB], [https://www.ebi.ac.uk/pdbsum/4c4h PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=4c4h 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 == | ||
| Line 22: | Line 21: | ||
==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: | |||