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| - | | + | #REDIRECT [[5qc4]] This PDB entry is obsolete and replaced by 5qc4 |
| - | ==Cathepsin S in complex with Thioether Acetamide P3 inhibitor==
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| - | <StructureSection load='3kwn' size='340' side='right' caption='[[3kwn]], [[Resolution|resolution]] 2.10Å' scene=''>
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| - | == Structural highlights ==
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| - | <table><tr><td colspan='2'>[[3kwn]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3KWN OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3KWN FirstGlance]. <br>
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| - | </td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=23Z:(2R)-1-{5-ACETYL-3-[3-{[2-OXO-2-(1H-PYRROL-1-YL)ETHYL]SULFANYL}-4-(TRIFLUOROMETHYL)PHENYL]-4,5,6,7-TETRAHYDRO-1H-PYRAZOLO[4,3-C]PYRIDIN-1-YL}-3-[4-(1-HYDROXY-1-METHYLETHYL)PIPERIDIN-1-YL]PROPAN-2-OL'>23Z</scene></td></tr>
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| - | <tr id='gene'><td class="sblockLbl"><b>[[Gene|Gene:]]</b></td><td class="sblockDat">CTSS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 HUMAN])</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/Cathepsin_S Cathepsin S], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.27 3.4.22.27] </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=3kwn FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3kwn OCA], [http://pdbe.org/3kwn PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3kwn RCSB], [http://www.ebi.ac.uk/pdbsum/3kwn PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3kwn ProSAT]</span></td></tr>
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| - | </table>
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| - | == Function ==
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| - | [[http://www.uniprot.org/uniprot/CATS_HUMAN CATS_HUMAN]] Thiol protease. Key protease responsible for the removal of the invariant chain from MHC class II molecules. The bond-specificity of this proteinase is in part similar to the specificities of cathepsin L and cathepsin N.
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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/3kwn_consurf.spt"</scriptWhenChecked>
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| - | <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.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=3kwn 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 series of tetrahydropyrido-pyrazole cathepsin S (CatS) inhibitors with thioether acetamide functional groups were prepared with the goal of improving upon the cellular activity of amidoethylthioethers. This Letter describes altered amide connectivity, in conjunction with changes to other binding elements, resulting in improved potency, as well as increased knowledge of the relationship between this chemotype and human CatS activity.
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| - | Thioether acetamides as P3 binding elements for tetrahydropyrido-pyrazole cathepsin S inhibitors.,Wiener DK, Lee-Dutra A, Bembenek S, Nguyen S, Thurmond RL, Sun S, Karlsson L, Grice CA, Jones TK, Edwards JP Bioorg Med Chem Lett. 2010 Apr 1;20(7):2379-82. Epub 2010 Feb 8. PMID:20188543<ref>PMID:20188543</ref>
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| - | From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.<br>
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| - | </div>
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| - | <div class="pdbe-citations 3kwn" style="background-color:#fffaf0;"></div>
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| - | ==See Also==
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| - | *[[Cathepsin|Cathepsin]]
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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: Cathepsin S]]
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| - | [[Category: Human]]
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| - | [[Category: Bembenek, S D]]
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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: Thiol protease]]
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| - | [[Category: Zymogen]]
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