2f1g: Difference between revisions
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|PDB= 2f1g |SIZE=350|CAPTION= <scene name='initialview01'>2f1g</scene>, resolution 1.90Å | |PDB= 2f1g |SIZE=350|CAPTION= <scene name='initialview01'>2f1g</scene>, resolution 1.90Å | ||
|SITE= | |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> | |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> | ||
|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] | |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> | ||
|GENE= CTSS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |GENE= CTSS ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | ||
|DOMAIN= | |||
|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> | |||
}} | }} | ||
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[[Category: Spraggon, G.]] | [[Category: Spraggon, G.]] | ||
[[Category: Tully, D C.]] | [[Category: Tully, D C.]] | ||
[[Category: 2-(benzooxazol-2-ylamino) acetamide]] | [[Category: 2-(benzooxazol-2-ylamino) acetamide]] | ||
[[Category: cathepsin s]] | [[Category: cathepsin s]] | ||
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[[Category: noncovalent]] | [[Category: noncovalent]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 02:56:36 2008'' | ||
Revision as of 23:56, 30 March 2008
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| 2f1g, resolution 1.90Å | |||||||||||||
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| Ligands: | GNF, GOL | ||||||||||||
| Gene: | CTSS (Homo sapiens) | ||||||||||||
| Activity: | Cathepsin S, with EC number 3.4.22.27 | ||||||||||||
| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
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. 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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