2hh5
From Proteopedia
(New page: 200px<br /> <applet load="2hh5" size="450" color="white" frame="true" align="right" spinBox="true" caption="2hh5, resolution 1.80Å" /> '''Crystal Structure o...) |
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| - | [[Image:2hh5.gif|left|200px]]<br /> | + | [[Image:2hh5.gif|left|200px]]<br /><applet load="2hh5" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2hh5" size=" | + | |
caption="2hh5, resolution 1.80Å" /> | caption="2hh5, resolution 1.80Å" /> | ||
'''Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide'''<br /> | '''Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide'''<br /> | ||
==Overview== | ==Overview== | ||
| - | The synthesis and structure-activity relationship of a series of | + | The synthesis and structure-activity relationship of a series of arylaminoethyl amide cathepsin S inhibitors are reported. Optimization of P3 and P2 groups to improve overall physicochemical properties resulted in significant improvements in oral bioavailability over early lead compounds. An X-ray structure of compound 37 bound to the active site of cathepsin S is also reported. |
==About this Structure== | ==About this Structure== | ||
| - | 2HH5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with ZN, CL and GNQ as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http:// | + | 2HH5 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=ZN:'>ZN</scene>, <scene name='pdbligand=CL:'>CL</scene> and <scene name='pdbligand=GNQ:'>GNQ</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2HH5 OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
| - | [[Category: Harris, J | + | [[Category: Harris, J L.]] |
[[Category: Hornsby, M.]] | [[Category: Hornsby, M.]] | ||
| - | [[Category: Karenewsky, D | + | [[Category: Karenewsky, D S.]] |
| - | [[Category: Lesley, S | + | [[Category: Lesley, S A.]] |
[[Category: Spraggon, G.]] | [[Category: Spraggon, G.]] | ||
| - | [[Category: Tully, D | + | [[Category: Tully, D C.]] |
[[Category: CL]] | [[Category: CL]] | ||
[[Category: GNQ]] | [[Category: GNQ]] | ||
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[[Category: zinc]] | [[Category: zinc]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:41:53 2008'' |
Revision as of 15:41, 21 February 2008
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Crystal Structure of Cathepsin S in complex with a Zinc mediated non-covalent arylaminoethyl amide
Overview
The synthesis and structure-activity relationship of a series of arylaminoethyl amide cathepsin S inhibitors are reported. Optimization of P3 and P2 groups to improve overall physicochemical properties resulted in significant improvements in oral bioavailability over early lead compounds. An X-ray structure of compound 37 bound to the active site of cathepsin S is also reported.
About this Structure
2HH5 is a Single protein structure of sequence from Homo sapiens with , and as ligands. Active as Cathepsin S, with EC number 3.4.22.27 Full crystallographic information is available from OCA.
Reference
Synthesis and SAR of arylaminoethyl amides as noncovalent inhibitors of cathepsin S: P3 cyclic ethers., Tully DC, Liu H, Chatterjee AK, Alper PB, Epple R, Williams JA, Roberts MJ, Woodmansee DH, Masick BT, Tumanut C, Li J, Spraggon G, Hornsby M, Chang J, Tuntland T, Hollenbeck T, Gordon P, Harris JL, Karanewsky DS, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5112-7. Epub 2006 Jul 28. PMID:16876402
Page seeded by OCA on Thu Feb 21 17:41:53 2008
Categories: Cathepsin S | Homo sapiens | Single protein | Harris, J L. | Hornsby, M. | Karenewsky, D S. | Lesley, S A. | Spraggon, G. | Tully, D C. | CL | GNQ | ZN | Arylaminoethyl-amides | Cathepsin s | Inhibition | Noncovalent | Zinc
