2f1g
From Proteopedia
(New page: 200px<br /> <applet load="2f1g" size="450" color="white" frame="true" align="right" spinBox="true" caption="2f1g, resolution 1.90Å" /> '''Cathepsin S in comp...) |
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| - | [[Image:2f1g.gif|left|200px]]<br /> | + | [[Image:2f1g.gif|left|200px]]<br /><applet load="2f1g" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="2f1g" size=" | + | |
caption="2f1g, resolution 1.90Å" /> | caption="2f1g, resolution 1.90Å" /> | ||
'''Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide'''<br /> | '''Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide'''<br /> | ||
==Overview== | ==Overview== | ||
| - | A series of N(alpha)-2-benzoxazolyl-alpha-amino | + | A series of N(alpha)-2-benzoxazolyl-alpha-amino acid-(arylaminoethyl)amides were identified as potent, selective, and noncovalent inhibitors of cathepsin S. Structure-activity relationships including strategies for modulating the selectivities among cathepsins S, K, and L, and in vivo pharmacokinetics are discussed. A X-ray structure of compound 3 bound to the active site of cathepsin S is also reported. |
==About this Structure== | ==About this Structure== | ||
| - | 2F1G 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 GNF and GOL 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:// | + | 2F1G 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=GNF:'>GNF</scene> and <scene name='pdbligand=GOL:'>GOL</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=2F1G OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Clark, K.]] | [[Category: Clark, K.]] | ||
| - | [[Category: Harris, J | + | [[Category: Harris, J L.]] |
[[Category: Hornsby, M.]] | [[Category: Hornsby, M.]] | ||
| - | [[Category: Karenewsky, D | + | [[Category: Karenewsky, D S.]] |
[[Category: Kulathila, R.]] | [[Category: Kulathila, R.]] | ||
| - | [[Category: Lesley, S | + | [[Category: Lesley, S A.]] |
[[Category: Spraggon, G.]] | [[Category: Spraggon, G.]] | ||
| - | [[Category: Tully, D | + | [[Category: Tully, D C.]] |
[[Category: GNF]] | [[Category: GNF]] | ||
[[Category: GOL]] | [[Category: GOL]] | ||
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[[Category: noncovalent]] | [[Category: noncovalent]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:16:43 2008'' |
Revision as of 15:16, 21 February 2008
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Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide
Overview
A series of N(alpha)-2-benzoxazolyl-alpha-amino acid-(arylaminoethyl)amides were identified as potent, selective, and noncovalent inhibitors of cathepsin S. Structure-activity relationships including strategies for modulating the selectivities among cathepsins S, K, and L, and in vivo pharmacokinetics are discussed. A X-ray structure of compound 3 bound to the active site of cathepsin S is also reported.
About this Structure
2F1G 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 evaluation of arylaminoethyl amides as noncovalent inhibitors of cathepsin S. Part 3: heterocyclic P3., Tully DC, Liu H, Alper PB, Chatterjee AK, Epple R, Roberts MJ, Williams JA, Nguyen KT, Woodmansee DH, Tumanut C, Li J, Spraggon G, Chang J, Tuntland T, Harris JL, Karanewsky DS, Bioorg Med Chem Lett. 2006 Apr 1;16(7):1975-80. Epub 2006 Jan 30. PMID:16446091
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