1zmj: Difference between revisions
New page: left|200px<br /> <applet load="1zmj" size="450" color="white" frame="true" align="right" spinBox="true" caption="1zmj, resolution 2.00Å" /> '''Crystal Structure o... |
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[[Image:1zmj.gif|left|200px]]<br /> | [[Image:1zmj.gif|left|200px]]<br /><applet load="1zmj" size="350" color="white" frame="true" align="right" spinBox="true" | ||
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caption="1zmj, resolution 2.00Å" /> | caption="1zmj, resolution 2.00Å" /> | ||
'''Crystal Structure of the Catalytic Domain of Factor XI in complex with 4-(guanidinomethyl)-phenylboronic acid'''<br /> | '''Crystal Structure of the Catalytic Domain of Factor XI in complex with 4-(guanidinomethyl)-phenylboronic acid'''<br /> | ||
==Overview== | ==Overview== | ||
A series of functionalized aryl boronic acids were synthesized and | 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== | ==Disease== | ||
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==About this Structure== | ==About this Structure== | ||
1ZMJ 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 SO4, HDB and TRS 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:// | 1ZMJ 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>, <scene name='pdbligand=HDB:'>HDB</scene> and <scene name='pdbligand=TRS:'>TRS</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=1ZMJ OCA]. | ||
==Reference== | ==Reference== | ||
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[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Babine, R | [[Category: Babine, R E.]] | ||
[[Category: Bibbins, F.]] | [[Category: Bibbins, F.]] | ||
[[Category: Gorga, J | [[Category: Gorga, J C.]] | ||
[[Category: Jin, L.]] | [[Category: Jin, L.]] | ||
[[Category: Lazarova, T | [[Category: Lazarova, T I.]] | ||
[[Category: Meyers, H | [[Category: Meyers, H V.]] | ||
[[Category: Rynkiewicz, M | [[Category: Rynkiewicz, M J.]] | ||
[[Category: Strickler, J | [[Category: Strickler, J E.]] | ||
[[Category: HDB]] | [[Category: HDB]] | ||
[[Category: SO4]] | [[Category: SO4]] | ||
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[[Category: inhibitor]] | [[Category: inhibitor]] | ||
''Page seeded by [http:// | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:17:07 2008'' | ||
Revision as of 17:17, 21 February 2008
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Crystal Structure of the Catalytic Domain of Factor XI in complex with 4-(guanidinomethyl)-phenylboronic acid
OverviewOverview
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.
DiseaseDisease
Known diseases associated with this structure: Factor XI deficiency, autosomal dominant OMIM:[264900], Factor XI deficiency, autosomal recessive OMIM:[264900]
About this StructureAbout this Structure
1ZMJ is a Single protein structure of sequence from Homo sapiens with , and as ligands. Active as Coagulation factor XIa, with EC number 3.4.21.27 Full crystallographic information is available from OCA.
ReferenceReference
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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