2hh5: Difference between revisions
From Proteopedia
Jump to navigationJump to search
New page: left|200px<br /> <applet load="2hh5" size="450" color="white" frame="true" align="right" spinBox="true" caption="2hh5, resolution 1.80Å" /> '''Crystal Structure o... |
No edit summary |
||
| Line 1: | Line 1: | ||
[[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== | ||
| Line 15: | Line 14: | ||
[[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]] | ||
| Line 30: | Line 29: | ||
[[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'' | ||
