1zgi

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[[Image:1zgi.jpg|left|200px]]
[[Image:1zgi.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1zgi |SIZE=350|CAPTION= <scene name='initialview01'>1zgi</scene>, resolution 2.2&Aring;
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The line below this paragraph, containing "STRUCTURE_1zgi", creates the "Structure Box" on the page.
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|SITE=
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You may change the PDB parameter (which sets the PDB file loaded into the applet)
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|LIGAND= <scene name='pdbligand=382:(R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE'>382</scene>, <scene name='pdbligand=TYS:SULFONATED+TYROSINE'>TYS</scene>
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or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
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|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>
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or leave the SCENE parameter empty for the default display.
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|GENE=
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-->
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|DOMAIN=
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{{STRUCTURE_1zgi| PDB=1zgi | SCENE= }}
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|RELATEDENTRY=
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1zgi FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zgi OCA], [http://www.ebi.ac.uk/pdbsum/1zgi PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1zgi RCSB]</span>
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}}
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'''thrombin in complex with an oxazolopyridine inhibitor 21'''
'''thrombin in complex with an oxazolopyridine inhibitor 21'''
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[[Category: Williams, P D.]]
[[Category: Williams, P D.]]
[[Category: Yan, Y.]]
[[Category: Yan, Y.]]
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[[Category: thrombin]]
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[[Category: Thrombin]]
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[[Category: thrombin inhibitor complex]]
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[[Category: Thrombin inhibitor complex]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 17:35:43 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:35:54 2008''
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Revision as of 14:35, 3 May 2008

Image:1zgi.jpg

Template:STRUCTURE 1zgi

thrombin in complex with an oxazolopyridine inhibitor 21


Overview

Thrombin-inhibitor X-ray crystal structures, in combination with the installation of binding elements optimized within the pyrazinone series of thrombin inhibitors, were utilized to transform a weak triazolopyrimidine lead into a series of potent oxazolopyridines. A modification intended to attenuate plasma protein binding (i.e., conversion of the P3 pyridine to a piperidine) conferred significant factor Xa activity to this series. Ultimately, these dual thrombin/factor Xa inhibitors demonstrated excellent in vitro and in vivo anticoagulant efficacy.

About this Structure

1ZGI is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization., Deng JZ, McMasters DR, Rabbat PM, Williams PD, Coburn CA, Yan Y, Kuo LC, Lewis SD, Lucas BJ, Krueger JA, Strulovici B, Vacca JP, Lyle TA, Burgey CS, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4411-6. PMID:16137886 Page seeded by OCA on Sat May 3 17:35:43 2008

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