3kwb

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[[Image:3kwb.png|left|200px]]
 
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==Structure of CatK covalently bound to a dioxo-triazine inhibitor==
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The line below this paragraph, containing "STRUCTURE_3kwb", creates the "Structure Box" on the page.
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<StructureSection load='3kwb' size='340' side='right'caption='[[3kwb]], [[Resolution|resolution]] 2.02&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'>[[3kwb]] is a 2 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=3KWB OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3KWB FirstGlance]. <br>
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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]] 2.02&#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=ORH:3,5-DIOXO-4-(3-PIPERIDIN-1-YLPROPYL)-2-[3-(TRIFLUOROMETHYL)PHENYL]-2,3,4,5-TETRAHYDRO-1,2,4-TRIAZINE-6-CARBONITRILE'>ORH</scene></td></tr>
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{{STRUCTURE_3kwb| PDB=3kwb | 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=3kwb FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kwb OCA], [https://pdbe.org/3kwb PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3kwb RCSB], [https://www.ebi.ac.uk/pdbsum/3kwb PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3kwb ProSAT]</span></td></tr>
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</table>
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== Disease ==
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[https://www.uniprot.org/uniprot/CATK_HUMAN CATK_HUMAN] Defects in CTSK are the cause of pycnodysostosis (PKND) [MIM:[https://omim.org/entry/265800 265800]. PKND is an autosomal recessive osteochondrodysplasia characterized by osteosclerosis and short stature.<ref>PMID:8703060</ref> <ref>PMID:9529353</ref> <ref>PMID:10491211</ref> <ref>PMID:10878663</ref>
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== Function ==
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[https://www.uniprot.org/uniprot/CATK_HUMAN CATK_HUMAN] Closely involved in osteoclastic bone resorption and may participate partially in the disorder of bone remodeling. Displays potent endoprotease activity against fibrinogen at acid pH. May play an important role in extracellular matrix degradation.
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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/kw/3kwb_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=3kwb 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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A novel dioxo-triazine series of cathepsin K inhibitors was identified from HTS. A rapid exploratory programme led to the discovery of potent and selective cathepsin K inhibitors, typified by compound 24 which displayed IC(50) values of 17nM against catK and &gt;10,000nM in catL, catB and catS assays.
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===Structure of CatK covalently bound to a dioxo-triazine inhibitor===
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Dioxo-triazines as a novel series of cathepsin K inhibitors.,Rankovic Z, Cai J, Fradera X, Dempster M, Mistry A, Mitchell A, Long C, Hamilton E, King A, Boucharens S, Jamieson C, Gillespie J, Cumming I, Uitdehaag J, van Zeeland M Bioorg Med Chem Lett. 2010 Mar 1;20(5):1488-90. Epub 2010 Jan 25. PMID:20153187<ref>PMID:20153187</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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The line below this paragraph, {{ABSTRACT_PUBMED_20153187}}, adds the Publication Abstract to the page
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<div class="pdbe-citations 3kwb" style="background-color:#fffaf0;"></div>
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(as it appears on PubMed at http://www.pubmed.gov), where 20153187 is the PubMed ID number.
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{{ABSTRACT_PUBMED_20153187}}
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==About this Structure==
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[[3kwb]] is a 2 chain structure of [[Cathepsin]] with 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=3KWB OCA].
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==See Also==
==See Also==
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*[[Cathepsin]]
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*[[Cathepsin 3D structures|Cathepsin 3D structures]]
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== References ==
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==Reference==
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<references/>
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<ref group="xtra">PMID:20153187</ref><references group="xtra"/>
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__TOC__
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[[Category: Cathepsin K]]
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</StructureSection>
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: Uitdehaag, J C.M.]]
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[[Category: Large Structures]]
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[[Category: Zeeland, M van.]]
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[[Category: Uitdehaag JCM]]
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[[Category: Covalent bond]]
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[[Category: Van Zeeland M]]
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[[Category: Cys 25]]
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[[Category: Disease mutation]]
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[[Category: Disulfide bond]]
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[[Category: Glycoprotein]]
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[[Category: Hydrolase]]
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[[Category: Lysosome]]
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[[Category: Protease]]
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[[Category: Thioimidate]]
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[[Category: Thiol protease]]
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[[Category: Zymogen]]
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Current revision

Structure of CatK covalently bound to a dioxo-triazine inhibitor

PDB ID 3kwb

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Proteopedia Page Contributors and Editors (what is this?)

OCA

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