5qc4

<StructureSection load='5qc4' size='340' side='right' caption='[[5qc4]], [[Resolution|resolution]] 2.00&Aring;' scene=''>

<table><tr><td colspan='2'>[[5qc4]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/Human Human]. This structure supersedes the now removed PDB entry [http://oca.weizmann.ac.il/oca-bin/send-pdb?obs=1&id=3kwn 3kwn]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=5QC4 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=5QC4 FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BC7:2-[5-[5-ethanoyl-1-[(2~{R})-2-oxidanyl-3-[4-(2-oxidanylpropan-2-yl)piperidin-1-yl]propyl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]-2-(trifluoromethyl)phenyl]sulfanyl-1-pyrrolidin-1-yl-ethanone'>BC7</scene></td></tr>

<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=5qc4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=5qc4 OCA], [http://pdbe.org/5qc4 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=5qc4 RCSB], [http://www.ebi.ac.uk/pdbsum/5qc4 PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=5qc4 ProSAT]</span></td></tr>

== Function ==

[[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.

<div style="background-color:#fffaf0;">

== Publication Abstract from PubMed ==

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.

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>

From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>

</div>

<div class="pdbe-citations 5qc4" style="background-color:#fffaf0;"></div>

*[[Cathepsin|Cathepsin]]

[[Category: Cathepsin S]]

[[Category: Human]]

[[Category: Ameriks, M K]]

[[Category: Bembenek, S D]]

[[Category: Burley, S K]]

[[Category: Mirzadegan, T]]

[[Category: Shao, C]]

[[Category: Yang, H]]

[[Category: Ligand docking]]