2f1g: Difference between revisions

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Revision as of 17:46, 20 March 2008

File:2f1g.gif

, resolution 1.90Å

Ligands:

and

Gene:

CTSS (Homo sapiens)

Activity:

Cathepsin S, with EC number 3.4.22.27

Coordinates:

save as pdb, mmCIF, xml

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 Thu Mar 20 16:46:55 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]]<br /><applet load="2f1g" size="350" color="white" frame="true" align="right" spinBox="true"
+[[Image:2f1g.gif|left|200px]]
-caption="2f1g, resolution 1.90&Aring;" />
-'''Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide'''<br />
+ {{Structure
+|PDB= 2f1g |SIZE=350|CAPTION= <scene name='initialview01'>2f1g</scene>, resolution 1.90&Aring;
+|SITE=
+|LIGAND= <scene name='pdbligand=GNF:N~2~-1,3-BENZOXAZOL-2-YL-3-CYCLOHEXYL-N-{2-[(4-METHOXYPHENYL)AMINO]ETHYL}-L-ALANINAMIDE'>GNF</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
+|ACTIVITY= [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]
+|GENE= CTSS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
+}}
+'''Cathepsin S in complex with non-covalent 2-(Benzoxazol-2-ylamino)-acetamide'''
 ==Overview==
@@ Line 7: / Line 16: @@
 ==About this Structure==
-F1G 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].
+F1G is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2F1G 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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16446091 16446091]
+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:[http://www.ncbi.nlm.nih.gov/pubmed/16446091 16446091]
 [[Category: Cathepsin S]]
 [[Category: Homo sapiens]]
@@ Line 24: / Line 33: @@
 [[Category: GNF]]
 [[Category: GOL]]
-[[Category: 2-(benzooxazol-2-ylamino) acetamides]]
+[[Category: 2-(benzooxazol-2-ylamino) acetamide]]
 [[Category: cathepsin s]]
 [[Category: inhibition]]
 [[Category: noncovalent]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 17:16:43 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:46:55 2008''