1yk7: Difference between revisions
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[[Image:1yk7.gif|left|200px]] | [[Image:1yk7.gif|left|200px]] | ||
'''Cathepsin K complexed with a cyanopyrrolidine inhibitor''' | {{Structure | ||
|PDB= 1yk7 |SIZE=350|CAPTION= <scene name='initialview01'>1yk7</scene>, resolution 2.5Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=NBL:N2-[(BENZYLOXY)CARBONYL]-N1-[(3S)-1-CYANOPYRROLIDIN-3-YL]-L-LEUCINAMIDE'>NBL</scene> | |||
|ACTIVITY= [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] | |||
|GENE= CTSK, CTSO, CTSO2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |||
}} | |||
'''Cathepsin K complexed with a cyanopyrrolidine inhibitor''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
1YK7 is a [ | 1YK7 is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1YK7 OCA]. | ||
==Reference== | ==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:[http:// | 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:[http://www.ncbi.nlm.nih.gov/pubmed/15780613 15780613] | ||
[[Category: Cathepsin K]] | [[Category: Cathepsin K]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
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[[Category: protease]] | [[Category: protease]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:23:56 2008'' | ||
Revision as of 13:23, 20 March 2008
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| 1yk7, resolution 2.5Å | |||||||||||||
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| Ligands: | NBL | ||||||||||||
| Gene: | CTSK, CTSO, CTSO2 (Homo sapiens) | ||||||||||||
| Activity: | Cathepsin K, with EC number 3.4.22.38 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
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.
Disease
Known disease associated with this structure: Pycnodysostosis OMIM:[601105]
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
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