2f1g: Difference between revisions

Revision as of 03:21, 4 May 2008

Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide

OverviewOverview

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 StructureAbout this Structure

2F1G is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

ReferenceReference

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 Page seeded by OCA on Sun May 4 03:20:59 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
 [[Image:2f1g.gif|left|200px]]
- {{Structure
+<!--
-|PDB= 2f1g |SIZE=350|CAPTION= <scene name='initialview01'>2f1g</scene>, resolution 1.90&Aring;
+The line below this paragraph, containing "STRUCTURE_2f1g", 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=GNF:N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE'>GNF</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</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_S Cathepsin S], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.22.27 3.4.22.27] </span>
+or leave the SCENE parameter empty for the default display.
-|GENE= CTSS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+-->
-|DOMAIN=
+{{STRUCTURE_2f1g|  PDB=2f1g  |  SCENE=  }}
-|RELATEDENTRY=
-|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2f1g FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2f1g OCA], [http://www.ebi.ac.uk/pdbsum/2f1g PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2f1g RCSB]</span>
-}}
 '''Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide'''
@@ Line 34: / Line 31: @@
 [[Category: Spraggon, G.]]
 [[Category: Tully, D C.]]
-[[Category: 2-(benzooxazol-2-ylamino) acetamide]]
+[[Category: Cathepsin s]]
-[[Category: cathepsin s]]
+[[Category: Inhibition]]
-[[Category: inhibition]]
+[[Category: Noncovalent]]
-[[Category: noncovalent]]
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May  4 03:20:59 2008''
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:56:36 2008''