5eho

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'''Unreleased structure'''
 
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The entry 5eho is ON HOLD until Paper Publication
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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==
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<StructureSection load='5eho' size='340' side='right' caption='[[5eho]], [[Resolution|resolution]] 2.18&Aring;' scene=''>
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Authors: Innocenti, P., Woodward, H.L., Solanki, S., Naud, N., Westwood, I.M., Cronin, N., Hayes, A., Roberts, J., Henley, A.T., Baker, R., Faisal, A., Mak, G., Box, G., Valenti, M., De Haven Brandon, A., O'Fee, L., Saville, J., Schmitt, J., Burke, R., van Montfort, R.L.M., Raymaud, F.I., Eccles, S.A., Linardopoulos, S., Blagg, J., Hoelder, S.
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== Structural highlights ==
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<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>
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Description: Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach
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</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>
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[[Category: Unreleased Structures]]
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<tr id='related'><td class="sblockLbl"><b>[[Related_structure|Related:]]</b></td><td class="sblockDat">[[5eh0|5eh0]]</td></tr>
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<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>
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<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>
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</table>
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== Function ==
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[[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>
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== References ==
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<references/>
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__TOC__
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</StructureSection>
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[[Category: Dual-specificity kinase]]
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[[Category: Baker, R]]
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[[Category: Blagg, J]]
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[[Category: Box, G]]
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[[Category: Brandon, A De Haven]]
[[Category: Burke, R]]
[[Category: Burke, R]]
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[[Category: Van Montfort, R.L.M]]
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[[Category: Cronin, N]]
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[[Category: Woodward, H.L]]
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[[Category: Eccles, S A]]
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[[Category: Faisal, A]]
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[[Category: Fee, L O]]
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[[Category: Hayes, A]]
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[[Category: Henley, A T]]
[[Category: Hoelder, S]]
[[Category: Hoelder, S]]
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[[Category: Solanki, S]]
 
[[Category: Innocenti, P]]
[[Category: Innocenti, P]]
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[[Category: Hayes, A]]
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[[Category: Linardopoulos, S]]
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[[Category: Blagg, J]]
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[[Category: Westwood, I.M]]
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[[Category: Valenti, M]]
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[[Category: Mak, G]]
[[Category: Mak, G]]
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[[Category: Henley, A.T]]
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[[Category: Montfort, R L.M van]]
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[[Category: Cronin, N]]
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[[Category: Naud, N]]
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[[Category: Raymaud, F.I]]
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[[Category: Raymaud, F I]]
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[[Category: Roberts, J]]
[[Category: Saville, J]]
[[Category: Saville, J]]
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[[Category: De Haven Brandon, A]]
 
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[[Category: Eccles, S.A]]
 
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[[Category: Box, G]]
 
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[[Category: Linardopoulos, S]]
 
[[Category: Schmitt, J]]
[[Category: Schmitt, J]]
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[[Category: O'Fee, L]]
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[[Category: Solanki, S]]
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[[Category: Faisal, A]]
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[[Category: Valenti, M]]
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[[Category: Baker, R]]
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[[Category: Westwood, I M]]
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[[Category: Roberts, J]]
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[[Category: Woodward, H L]]
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[[Category: Naud, N]]
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[[Category: Transferase]]

Revision as of 19:45, 9 December 2016

Rapid Discovery of Pyrido[3,4-d]pyrimidine Inhibitors of Monopolar Spindle kinase 1 (MPS1) Using a Structure-Based Hydridization Approach

5eho, resolution 2.18Å

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