2bdl: Difference between revisions

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[[Image:2bdl.gif|left|200px]]
[[Image:2bdl.gif|left|200px]]


{{Structure
<!--
|PDB= 2bdl |SIZE=350|CAPTION= <scene name='initialview01'>2bdl</scene>, resolution 2.0&Aring;
The line below this paragraph, containing "STRUCTURE_2bdl", creates the "Structure Box" on the page.
|SITE=
You may change the PDB parameter (which sets the PDB file loaded into the applet)  
|LIGAND= <scene name='pdbligand=4PR:(3S)-1-{[(3,5-DIMETHYLISOXAZOL-4-YL)AMINO]CARBONYL}-4,4-DIMETHYLPYRROLIDIN-3-YL{(1S)-1-[1-HYDROXY-2-OXO-2-{[(1R)-1-PHENYLETHYL]AMINO}ETHYL]PENTYL}CARBAMATE'>4PR</scene>
or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
|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>
or leave the SCENE parameter empty for the default display.
|GENE= CTSK, CTSO, CTSO2 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
-->
|DOMAIN=
{{STRUCTURE_2bdl| PDB=2bdl  | SCENE= }}  
|RELATEDENTRY=
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2bdl FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2bdl OCA], [http://www.ebi.ac.uk/pdbsum/2bdl PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2bdl RCSB]</span>
}}


'''Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor'''
'''Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor'''
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[[Category: Single protein]]
[[Category: Single protein]]
[[Category: Shewchuk, L M.]]
[[Category: Shewchuk, L M.]]
[[Category: cathepsin]]
[[Category: Cathepsin]]
[[Category: catk]]
[[Category: Catk]]
[[Category: cato]]
[[Category: Cato]]
[[Category: cysteine protease]]
[[Category: Cysteine protease]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May  3 20:08:40 2008''
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:04:48 2008''

Revision as of 17:08, 3 May 2008

File:2bdl.gif

Template:STRUCTURE 2bdl

Cathepsin K complexed with a pyrrolidine ketoamide-based inhibitor


Overview

Starting from a potent pantolactone ketoamide cathepsin K inhibitor discovered from structural screening, conversion of the lactone scaffold to a pyrrolidine scaffold allowed exploration of the S(3) subsite of cathepsin K. Manipulation of P3 and P1' groups afforded potent inhibitors with drug-like properties.

About this Structure

2BDL is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Novel, potent P2-P3 pyrrolidine derivatives of ketoamide-based cathepsin K inhibitors., Barrett DG, Catalano JG, Deaton DN, Hassell AM, Long ST, Miller AB, Miller LR, Ray JA, Samano V, Shewchuk LM, Wells-Knecht KJ, Willard DH Jr, Wright LL, Bioorg Med Chem Lett. 2006 Mar 15;16(6):1735-9. Epub 2006 Jan 11. PMID:16376075 Page seeded by OCA on Sat May 3 20:08:40 2008

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