1zml

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[[Image:1zml.jpg|left|200px]]
[[Image:1zml.jpg|left|200px]]
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{{Structure
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<!--
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|PDB= 1zml |SIZE=350|CAPTION= <scene name='initialview01'>1zml</scene>, resolution 2.25&Aring;
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The line below this paragraph, containing "STRUCTURE_1zml", 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=412:(R)-1-(4-(4-(HYDROXYMETHYL)-1,3,2-DIOXABOROLAN-2-YL)PHENETHYL)GUANIDINE'>412</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_1zml| PDB=1zml | SCENE= }}
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|RELATEDENTRY=[[1zmj|1ZMJ]]
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|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1zml FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1zml OCA], [http://www.ebi.ac.uk/pdbsum/1zml PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=1zml RCSB]</span>
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}}
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'''Crystal Structure of the Catalytic Domain of Factor XI in complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine'''
'''Crystal Structure of the Catalytic Domain of Factor XI in complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)guanidine'''
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[[Category: Rynkiewicz, M J.]]
[[Category: Rynkiewicz, M J.]]
[[Category: Strickler, J E.]]
[[Category: Strickler, J E.]]
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[[Category: fxi]]
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[[Category: Fxi]]
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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 Sat May 3 17:48:50 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 01:38:49 2008''
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Revision as of 14:48, 3 May 2008

Image:1zml.jpg

Template:STRUCTURE 1zml

Crystal Structure of the Catalytic Domain of Factor XI in complex with (R)-1-(4-(4-(hydroxymethyl)-1,3,2-dioxaborolan-2-yl)phenethyl)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 disease associated with this structure: Factor XI deficiency, autosomal dominant OMIM:[264900], Factor XI deficiency, autosomal recessive OMIM:[264900]

About this Structure

1ZML 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 Page seeded by OCA on Sat May 3 17:48:50 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

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