3h9f

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{{Seed}}
 
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[[Image:3h9f.png|left|200px]]
 
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==Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand==
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The line below this paragraph, containing "STRUCTURE_3h9f", creates the "Structure Box" on the page.
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<StructureSection load='3h9f' size='340' side='right'caption='[[3h9f]], [[Resolution|resolution]] 2.60&Aring;' scene=''>
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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== Structural highlights ==
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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<table><tr><td colspan='2'>[[3h9f]] 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=3H9F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3H9F FirstGlance]. <br>
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or leave the SCENE parameter empty for the default display.
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</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.6&#8491;</td></tr>
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<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=92M:9-CYCLOPENTYL-2-(4-(4-HYDROXYPIPERIDIN-1-YL)-2-METHOXYPHENYLAMINO)-5-METHYL-8,9-DIHYDRO-5H-PYRIMIDO[4,5-B][1,4]DIAZEPIN-6(7H)-ONE'>92M</scene>, <scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=SEP:PHOSPHOSERINE'>SEP</scene>, <scene name='pdbligand=TPO:PHOSPHOTHREONINE'>TPO</scene></td></tr>
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{{STRUCTURE_3h9f| PDB=3h9f | SCENE= }}
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<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3h9f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3h9f OCA], [https://pdbe.org/3h9f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3h9f RCSB], [https://www.ebi.ac.uk/pdbsum/3h9f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3h9f ProSAT]</span></td></tr>
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</table>
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== Function ==
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[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>
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== Evolutionary Conservation ==
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[[Image:Consurf_key_small.gif|200px|right]]
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Check<jmol>
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<jmolCheckbox>
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<scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/h9/3h9f_consurf.spt"</scriptWhenChecked>
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<scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview03.spt</scriptWhenUnchecked>
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<text>to colour the structure by Evolutionary Conservation</text>
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</jmolCheckbox>
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3h9f ConSurf].
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<div style="clear:both"></div>
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<div style="background-color:#fffaf0;">
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== Publication Abstract from PubMed ==
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Mps1, a dual-specificity kinase, is required for the proper functioning of the spindle assembly checkpoint and for the maintenance of chromosomal stability. As Mps1 function has been implicated in numerous phases of the cell cycle, the development of a potent, selective small-molecule inhibitor of Mps1 should facilitate dissection of Mps1-related biology. We describe the cellular effects and Mps1 cocrystal structures of new, selective small-molecule inhibitors of Mps1. Consistent with RNAi studies, chemical inhibition of Mps1 leads to defects in Mad1 and Mad2 establishment at unattached kinetochores, decreased Aurora B kinase activity, premature mitotic exit and gross aneuploidy, without any evidence of centrosome duplication defects. However, in U2OS cells having extra centrosomes (an abnormality found in some cancers), Mps1 inhibition increases the frequency of multipolar mitoses. Lastly, Mps1 inhibitor treatment resulted in a decrease in cancer cell viability.
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===Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand===
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Small-molecule kinase inhibitors provide insight into Mps1 cell cycle function.,Kwiatkowski N, Jelluma N, Filippakopoulos P, Soundararajan M, Manak MS, Kwon M, Choi HG, Sim T, Deveraux QL, Rottmann S, Pellman D, Shah JV, Kops GJ, Knapp S, Gray NS Nat Chem Biol. 2010 May;6(5):359-68. Epub 2010 Apr 11. PMID:20383151<ref>PMID:20383151</ref>
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From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
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</div>
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<div class="pdbe-citations 3h9f" style="background-color:#fffaf0;"></div>
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==About this Structure==
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==See Also==
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3H9F is a 1 chain structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3H9F OCA].
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*[[Dual specificity protein kinase 3D structures|Dual specificity protein kinase 3D structures]]
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[[Category: Dual-specificity kinase]]
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== References ==
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<references/>
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__TOC__
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Arrowsmith, C H.]]
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[[Category: Large Structures]]
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[[Category: Bountra, C.]]
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[[Category: Arrowsmith CH]]
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[[Category: Chaikuad, A.]]
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[[Category: Bountra C]]
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[[Category: Delft, F von.]]
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[[Category: Chaikuad A]]
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[[Category: Edwards, A.]]
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[[Category: Edwards A]]
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[[Category: Elkins, J M.]]
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[[Category: Elkins JM]]
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[[Category: Fedorov, O.]]
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[[Category: Fedorov O]]
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[[Category: Filippakopoulos, P.]]
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[[Category: Filippakopoulos P]]
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[[Category: Grey, N.]]
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[[Category: Gray NS]]
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[[Category: Keates, T.]]
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[[Category: Keates T]]
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[[Category: King, O.]]
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[[Category: King O]]
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[[Category: Knapp, S.]]
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[[Category: Knapp S]]
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[[Category: Kwiatkowski, N.]]
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[[Category: Kwiatkowski N]]
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[[Category: Picaud, S S.]]
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[[Category: Picaud SS]]
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[[Category: Pike, A C.W.]]
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[[Category: Pike ACW]]
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[[Category: SGC, Structural Genomics Consortium.]]
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[[Category: Soundararajan M]]
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[[Category: Soundararajan, M.]]
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[[Category: Weigelt J]]
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[[Category: Weigelt, J.]]
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[[Category: Yue W]]
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[[Category: Yue, W.]]
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[[Category: Von Delft F]]
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[[Category: Atp-binding]]
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[[Category: Dual specificity]]
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[[Category: Esk]]
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[[Category: Hmps1]]
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[[Category: Kinase]]
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[[Category: Nucleotide-binding]]
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[[Category: Phosphoprotein]]
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[[Category: Phosphotyrosine picked threonine kinase]]
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[[Category: Polymorphism]]
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[[Category: Pyt]]
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[[Category: Serine/threonine-protein kinase]]
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[[Category: Sgc]]
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[[Category: Structural genomics consortium]]
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[[Category: Transferase]]
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[[Category: Ttk]]
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[[Category: Tyrosine-protein kinase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jun 10 19:16:52 2009''
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Current revision

Crystal Structure of Human Dual Specificity Protein Kinase (TTK) in complex with a pyrimido-diazepin ligand

PDB ID 3h9f

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