1t4v

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[[Image:1t4v.gif|left|200px]]
[[Image:1t4v.gif|left|200px]]
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{{Structure
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<!--
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|PDB= 1t4v |SIZE=350|CAPTION= <scene name='initialview01'>1t4v</scene>, resolution 2.00&Aring;
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The line below this paragraph, containing "STRUCTURE_1t4v", 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=14A:N-ALLYL-5-AMIDINOAMINOOXY-PROPYLOXY-3-CHLORO-N-CYCLOPENTYLBENZAMIDE'>14A</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= F2 ([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_1t4v| PDB=1t4v | 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=1t4v FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1t4v OCA], [http://www.ebi.ac.uk/pdbsum/1t4v PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1t4v RCSB]</span>
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}}
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'''Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin'''
'''Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin'''
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[[Category: Thrombin]]
[[Category: Thrombin]]
[[Category: Spurlino, J.]]
[[Category: Spurlino, J.]]
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[[Category: hydrolase]]
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[[Category: Hydrolase]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 09:31:51 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun Mar 30 23:51:21 2008''
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Revision as of 06:31, 3 May 2008

Image:1t4v.gif

Template:STRUCTURE 1t4v

Crystal Structure Analysis of a novel Oxyguanidine bound to Thrombin


Contents

Overview

Through structure-based drug design and parallel synthesis, we have discovered a novel series of nonpeptidic phenyl-based thrombin inhibitors using oxyguanidines as guanidine bioisosteres. These compounds have been found to be highly potent, highly selective, and orally bioavailable.

Disease

Known disease associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]

About this Structure

1T4V is a Protein complex structure of sequences from Hirudo medicinalis and Homo sapiens. Full crystallographic information is available from OCA.

Reference

Oxyguanidines. Part 2: Discovery of a novel orally active thrombin inhibitor through structure-based drug design and parallel synthesis., Lu T, Markotan T, Coppo F, Tomczuk B, Crysler C, Eisennagel S, Spurlino J, Gremminger L, Soll RM, Giardino EC, Bone R, Bioorg Med Chem Lett. 2004 Jul 16;14(14):3727-31. PMID:15203151 Page seeded by OCA on Sat May 3 09:31:51 2008

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OCA

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