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1yk7

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[[Image:1yk7.gif|left|200px]]
[[Image:1yk7.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1yk7 |SIZE=350|CAPTION= <scene name='initialview01'>1yk7</scene>, resolution 2.5&Aring;
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The line below this paragraph, containing "STRUCTURE_1yk7", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=NBL:N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE'>NBL</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Cathepsin_K Cathepsin K], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.38 3.4.22.38] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= CTSK, CTSO, CTSO2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_1yk7| PDB=1yk7 | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1yk7 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1yk7 OCA], [http://www.ebi.ac.uk/pdbsum/1yk7 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1yk7 RCSB]</span>
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}}
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'''Cathepsin K complexed with a cyanopyrrolidine inhibitor'''
'''Cathepsin K complexed with a cyanopyrrolidine inhibitor'''
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[[Category: Willard, D H.]]
[[Category: Willard, D H.]]
[[Category: Wright, L L.]]
[[Category: Wright, L L.]]
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[[Category: cathepsin]]
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[[Category: Cathepsin]]
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[[Category: catk]]
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[[Category: Catk]]
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[[Category: cysteine]]
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[[Category: Cysteine]]
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[[Category: protease]]
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[[Category: Protease]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 16:25:27 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:10:29 2008''
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Revision as of 13:25, 3 May 2008

Image:1yk7.gif

Template:STRUCTURE 1yk7

Cathepsin K complexed with a cyanopyrrolidine inhibitor


Overview

Starting from a PDE IV inhibitor hit derived from high throughput screening of the compound collection, a key pyrrolidine cyanamide pharmacophore was identified. Modifications of the pyrrolidine ring produced enhancements in cathepsin K inhibition. An X-ray co-crystal structure of a cyanamide with cathepsin K confirmed the mode of inhibition.

About this Structure

1YK7 is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Novel and potent cyclic cyanamide-based cathepsin K inhibitors., Deaton DN, Hassell AM, McFadyen RB, Miller AB, Miller LR, Shewchuk LM, Tavares FX, Willard DH Jr, Wright LL, Bioorg Med Chem Lett. 2005 Apr 1;15(7):1815-9. PMID:15780613 Page seeded by OCA on Sat May 3 16:25:27 2008

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OCA

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