1zmn

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[[Image:1zmn.gif|left|200px]]<br /><applet load="1zmn" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1zmn.gif|left|200px]]
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caption="1zmn, resolution 2.05&Aring;" />
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'''Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine'''<br />
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{{Structure
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|PDB= 1zmn |SIZE=350|CAPTION= <scene name='initialview01'>1zmn</scene>, resolution 2.05&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=427:(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENYL)GUANIDINE'>427</scene>
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|ACTIVITY= [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]
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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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'''Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1ZMN is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens] with <scene name='pdbligand=SO4:'>SO4</scene> and <scene name='pdbligand=427:'>427</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [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] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZMN OCA].
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1ZMN is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1ZMN OCA].
==Reference==
==Reference==
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Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa., Lazarova TI, Jin L, Rynkiewicz M, Gorga JC, Bibbins F, Meyers HV, Babine R, Strickler J, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5022-7. Epub 2006 Jul 28. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=16876411 16876411]
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Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa., Lazarova TI, Jin L, Rynkiewicz M, Gorga JC, Bibbins F, Meyers HV, Babine R, Strickler J, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5022-7. Epub 2006 Jul 28. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16876411 16876411]
[[Category: Coagulation factor XIa]]
[[Category: Coagulation factor XIa]]
[[Category: Homo sapiens]]
[[Category: Homo sapiens]]
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[[Category: inhibitor]]
[[Category: inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:17:03 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:37:22 2008''

Revision as of 13:37, 20 March 2008

Image:1zmn.gif


PDB ID 1zmn

Drag the structure with the mouse to rotate
, resolution 2.05Å
Ligands: and
Gene: F11 (Homo sapiens)
Activity: Coagulation factor XIa, with EC number 3.4.21.27
Coordinates: save as pdb, mmCIF, xml



Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenyl)guanidine


Contents

Overview

A series of functionalized aryl boronic acids were synthesized and evaluated as potential inhibitors of factor XIa. Crystal structures of the protein-inhibitor complexes led to the design and synthesis of second generation compounds showing single digit micromolar inhibition against FXIa and selectivity against thrombin, trypsin, and FXa.

Disease

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

About this Structure

1ZMN is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Synthesis and in vitro biological evaluation of aryl boronic acids as potential inhibitors of factor XIa., Lazarova TI, Jin L, Rynkiewicz M, Gorga JC, Bibbins F, Meyers HV, Babine R, Strickler J, Bioorg Med Chem Lett. 2006 Oct 1;16(19):5022-7. Epub 2006 Jul 28. PMID:16876411

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