1ms6

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|PDB= 1ms6 |SIZE=350|CAPTION= <scene name='initialview01'>1ms6</scene>, resolution 1.90&Aring;
|PDB= 1ms6 |SIZE=350|CAPTION= <scene name='initialview01'>1ms6</scene>, resolution 1.90&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=BLN:MORPHOLINE-4-CARBOXYLIC ACID [1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE'>BLN</scene>
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|LIGAND= <scene name='pdbligand=BLN:MORPHOLINE-4-CARBOXYLIC+ACID+[1S-(2-BENZYLOXY-1R-CYANO-ETHYLCARBAMOYL)-3-METHYL-BUTYL]AMIDE'>BLN</scene>
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|ACTIVITY= [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]
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|ACTIVITY= <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>
|GENE=
|GENE=
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|DOMAIN=
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|RELATEDENTRY=
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|RESOURCES=<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://www.ebi.ac.uk/pdbsum/1ms6 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1ms6 RCSB]</span>
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[[Category: White, D.]]
[[Category: White, D.]]
[[Category: Zindell, R.]]
[[Category: Zindell, R.]]
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[[Category: BLN]]
 
[[Category: cathepsin]]
[[Category: cathepsin]]
[[Category: hydrolase]]
[[Category: hydrolase]]
[[Category: protease]]
[[Category: protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:47:33 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 22:20:27 2008''

Revision as of 19:20, 30 March 2008

Image:1ms6.gif


PDB ID 1ms6

Drag the structure with the mouse to rotate
, resolution 1.90Å
Ligands:
Activity: Cathepsin S, with EC number 3.4.22.27
Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Dipeptide Nitrile Inhibitor Bound to Cathepsin S.


Overview

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.

About this Structure

1MS6 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

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

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