1q6k
From Proteopedia
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|PDB= 1q6k |SIZE=350|CAPTION= <scene name='initialview01'>1q6k</scene>, resolution 2.1Å | |PDB= 1q6k |SIZE=350|CAPTION= <scene name='initialview01'>1q6k</scene>, resolution 2.1Å | ||
|SITE= | |SITE= | ||
| - | |LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> | + | |LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=TCO:TERT-BUTYL(1S)-1-CYCLOHEXYL-2-OXOETHYLCARBAMATE'>TCO</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] | + | |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> |
|GENE= CTSK OR CTSO ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= CTSK OR CTSO ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
| + | |DOMAIN= | ||
| + | |RELATEDENTRY= | ||
| + | |RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1q6k FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1q6k OCA], [http://www.ebi.ac.uk/pdbsum/1q6k PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1q6k RCSB]</span> | ||
}} | }} | ||
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==Overview== | ==Overview== | ||
The synthesis and biological activity of a series of aldehyde inhibitors of cathepsin K are reported. Exploration of the properties of the S(1) subsite with a series of alpha-amino aldehyde derivatives substituted at the P(1) position afforded compounds with cathepsin K IC(50)s between 52 microM and 15 nM. | The synthesis and biological activity of a series of aldehyde inhibitors of cathepsin K are reported. Exploration of the properties of the S(1) subsite with a series of alpha-amino aldehyde derivatives substituted at the P(1) position afforded compounds with cathepsin K IC(50)s between 52 microM and 15 nM. | ||
| - | |||
| - | ==Disease== | ||
| - | Known disease associated with this structure: Pycnodysostosis OMIM:[[http://www.ncbi.nlm.nih.gov/entrez/dispomim.cgi?id=601105 601105]] | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: Willard, D H.]] | [[Category: Willard, D H.]] | ||
[[Category: Wright, L L.]] | [[Category: Wright, L L.]] | ||
| - | [[Category: SO4]] | ||
| - | [[Category: TCO]] | ||
[[Category: cathepsin k]] | [[Category: cathepsin k]] | ||
[[Category: catk]] | [[Category: catk]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:09:31 2008'' |
Revision as of 20:09, 30 March 2008
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| , resolution 2.1Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | , | ||||||
| Gene: | CTSK OR CTSO (Homo sapiens) | ||||||
| Activity: | Cathepsin K, with EC number 3.4.22.38 | ||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Cathepsin K complexed with t-butyl(1S)-1-cyclohexyl-2-oxoethylcarbamate
Overview
The synthesis and biological activity of a series of aldehyde inhibitors of cathepsin K are reported. Exploration of the properties of the S(1) subsite with a series of alpha-amino aldehyde derivatives substituted at the P(1) position afforded compounds with cathepsin K IC(50)s between 52 microM and 15 nM.
About this Structure
1Q6K is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Exploration of the P1 SAR of aldehyde cathepsin K inhibitors., Catalano JG, Deaton DN, Furfine ES, Hassell AM, McFadyen RB, Miller AB, Miller LR, Shewchuk LM, Willard DH Jr, Wright LL, Bioorg Med Chem Lett. 2004 Jan 5;14(1):275-8. PMID:14684342
Page seeded by OCA on Sun Mar 30 23:09:31 2008
