1ms6

<StructureSection load='1ms6' size='340' side='right' caption='[[1ms6]], [[Resolution|resolution]] 1.90&Aring;' scene=''>

<table><tr><td colspan='2'>[[1ms6]] is a 1 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=1MS6 OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1MS6 FirstGlance]. <br>

</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=BLN:MORPHOLINE-4-CARBOXYLIC+ACID+[1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE'>BLN</scene></td></tr>

<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>

<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=1ms6 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1ms6 OCA], [http://pdbe.org/1ms6 PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=1ms6 RCSB], [http://www.ebi.ac.uk/pdbsum/1ms6 PDBsum]</span></td></tr>

[[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.

<scriptWhenChecked>select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/ms/1ms6_consurf.spt"</scriptWhenChecked>

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== Publication Abstract from PubMed ==

The specificity of the immune response relies on processing of foreign proteins and presentation of antigenic peptides at the cell surface. Inhibition of antigen presentation, and the subsequent activation of T-cells, should, in theory, modulate the immune response. The cysteine protease Cathepsin S performs a fundamental step in antigen presentation and therefore represents an attractive target for inhibition. Herein, we report a series of potent and reversible Cathepsin S inhibitors based on dipeptide nitriles. These inhibitors show nanomolar inhibition of the target enzyme as well as cellular potency in a human B cell line. The first X-ray crystal structure of a reversible inhibitor cocrystallized with Cathepsin S is also reported.

Design and synthesis of dipeptide nitriles as reversible and potent Cathepsin S inhibitors.,Ward YD, Thomson DS, Frye LL, Cywin CL, Morwick T, Emmanuel MJ, Zindell R, McNeil D, Bekkali Y, Girardot M, Hrapchak M, DeTuri M, Crane K, White D, Pav S, Wang Y, Hao MH, Grygon CA, Labadia ME, Freeman DM, Davidson W, Hopkins JL, Brown ML, Spero DM J Med Chem. 2002 Dec 5;45(25):5471-82. PMID:12459015<ref>PMID:12459015</ref>

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

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<div class="pdbe-citations 1ms6" style="background-color:#fffaf0;"></div>

*[[Cathepsin|Cathepsin]]

[[Category: Cathepsin S]]

[[Category: Human]]

[[Category: Bekkali, Y]]

[[Category: Brown, M L]]

[[Category: Crane, K]]

[[Category: Cywin, C L]]

[[Category: Davidson, W]]

[[Category: DeTuri, M]]

[[Category: Emmanuel, M J]]

[[Category: Freeman, D M]]

[[Category: Frye, L L]]

[[Category: Giradot, M]]

[[Category: Grygon, C A]]

[[Category: Hao, M H]]

[[Category: Hopkins, J L]]

[[Category: Hrapchak, M]]

[[Category: Labadia, M E]]

[[Category: McNeil, D]]

[[Category: Morwick, T]]

[[Category: Pav, S]]

[[Category: Spero, D M]]

[[Category: Thomson, D S]]

[[Category: Wang, Y]]

[[Category: Ward, Y D]]

[[Category: White, D]]

[[Category: Zindell, R]]

[[Category: Protease]]