2fda

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[[Image:2fda.gif|left|200px]]
[[Image:2fda.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 2fda |SIZE=350|CAPTION= <scene name='initialview01'>2fda</scene>, resolution 2.00&Aring;
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The line below this paragraph, containing "STRUCTURE_2fda", 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=682:N~2~-(AMINOCARBONYL)-N~1~-{4-{[AMINO(IMINO)METHYL]AMINO}-1-[HYDROXY(1,3-THIAZOL-2-YL)METHYL]BUTYL}VALINAMIDE'>682</scene>, <scene name='pdbligand=BCT:BICARBONATE+ION'>BCT</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</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/Coagulation_factor_XIa Coagulation factor XIa], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.27 3.4.21.27] </span>
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or leave the SCENE parameter empty for the default display.
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|GENE= F11 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens])
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-->
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|DOMAIN=
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{{STRUCTURE_2fda| PDB=2fda | SCENE= }}
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|RELATEDENTRY=[[1zhr|1ZHR]], [[1zpb|1ZPB]], [[1zpc|1ZPC]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2fda FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2fda OCA], [http://www.ebi.ac.uk/pdbsum/2fda PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2fda RCSB]</span>
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}}
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'''Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand'''
'''Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand'''
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[[Category: Strickler, J E.]]
[[Category: Strickler, J E.]]
[[Category: Weaver, D T.]]
[[Category: Weaver, D T.]]
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[[Category: fxia]]
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[[Category: Fxia]]
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[[Category: inhibitor]]
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[[Category: Inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 03:45:24 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 03:01:15 2008''
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Revision as of 00:45, 4 May 2008

Image:2fda.gif

Template:STRUCTURE 2fda

Crystal Structure of the Catalytic Domain of Human Coagulation Factor XIa in Complex with alpha-Ketothiazole Arginine Derived Ligand


Contents

Overview

Using an alpha-ketothiazole arginine moiety as a key recognition element, a series of small peptidomimetic molecules was designed and synthesized, and their co-crystal structures with factor XIa were studied in an effort to develop smaller, less peptidic inhibitors as antithrombotic agents.

Disease

Known disease associated with this structure: Factor XI deficiency, autosomal dominant OMIM:[264900], Factor XI deficiency, autosomal recessive OMIM:[264900]

About this Structure

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

Reference

Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine., Deng H, Bannister TD, Jin L, Babine RE, Quinn J, Nagafuji P, Celatka CA, Lin J, Lazarova TI, Rynkiewicz MJ, Bibbins F, Pandey P, Gorga J, Meyers HV, Abdel-Meguid SS, Strickler JE, Bioorg Med Chem Lett. 2006 Jun 1;16(11):3049-54. Epub 2006 Mar 9. PMID:16524727 Page seeded by OCA on Sun May 4 03:45:24 2008

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OCA

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