1sb1: Difference between revisions
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|PDB= 1sb1 |SIZE=350|CAPTION= <scene name='initialview01'>1sb1</scene>, resolution 1.90Å | |PDB= 1sb1 |SIZE=350|CAPTION= <scene name='initialview01'>1sb1</scene>, resolution 1.90Å | ||
|SITE= | |SITE= | ||
|LIGAND= | |LIGAND= <scene name='pdbligand=165:N-(BENZYLSULFONYL)-3-CYCLOHEXYLALANYL-N-(2-AMINO-1,3-BENZOTHIAZOL-6-YL)PROLINAMIDE'>165</scene>, <scene name='pdbligand=NA:SODIUM+ION'>NA</scene>, <scene name='pdbligand=TYS:SULFONATED+TYROSINE'>TYS</scene> | ||
|ACTIVITY= [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] | |ACTIVITY= <span class='plainlinks'>[http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] </span> | ||
|GENE= | |GENE= | ||
|DOMAIN= | |||
|RELATEDENTRY= | |||
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1sb1 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1sb1 OCA], [http://www.ebi.ac.uk/pdbsum/1sb1 PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1sb1 RCSB]</span> | |||
}} | }} | ||
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==Overview== | ==Overview== | ||
The design, synthesis and biological activity of a series of novel non-covalent D-Phe-Pro-Arg motif-based thrombin inhibitors incorporating 4,5,6,7-tetrahydrobenzothiazol-2-amine as a novel arginine surrogate are described. Compound 9, the most potent in the series of thrombin inhibitors, exhibited an in vitro K(i) of 128 nM and 342-fold selectivity against trypsin. The binding mode of this novel class of thrombin inhibitors in the enzyme active site, based on the X-ray crystal structure of compound 9 co-crystallized with human alpha-thrombin, is discussed. | The design, synthesis and biological activity of a series of novel non-covalent D-Phe-Pro-Arg motif-based thrombin inhibitors incorporating 4,5,6,7-tetrahydrobenzothiazol-2-amine as a novel arginine surrogate are described. Compound 9, the most potent in the series of thrombin inhibitors, exhibited an in vitro K(i) of 128 nM and 342-fold selectivity against trypsin. The binding mode of this novel class of thrombin inhibitors in the enzyme active site, based on the X-ray crystal structure of compound 9 co-crystallized with human alpha-thrombin, is discussed. | ||
==About this Structure== | ==About this Structure== | ||
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[[Category: Stojan, J.]] | [[Category: Stojan, J.]] | ||
[[Category: Trampus-Bakija, A.]] | [[Category: Trampus-Bakija, A.]] | ||
[[Category: | [[Category: hirugen]] | ||
[[Category: | [[Category: inhibition]] | ||
[[Category: | [[Category: serine protease inhibitor]] | ||
[[Category: thrombin]] | |||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:39:38 2008'' | ||
