1zlr
From Proteopedia
(New page: 200px<br /> <applet load="1zlr" size="450" color="white" frame="true" align="right" spinBox="true" caption="1zlr, resolution 2.50Å" /> '''Factor XI catalytic...) |
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| - | [[Image:1zlr.gif|left|200px]]<br /> | + | [[Image:1zlr.gif|left|200px]]<br /><applet load="1zlr" size="350" color="white" frame="true" align="right" spinBox="true" |
| - | <applet load="1zlr" size=" | + | |
caption="1zlr, resolution 2.50Å" /> | caption="1zlr, resolution 2.50Å" /> | ||
'''Factor XI catalytic domain complexed with 2-guanidino-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl nicotinate'''<br /> | '''Factor XI catalytic domain complexed with 2-guanidino-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl nicotinate'''<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== | ||
| - | 1ZLR 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, 368 and GOL 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:// | + | 1ZLR 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=368:'>368</scene> and <scene name='pdbligand=GOL:'>GOL</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=1ZLR OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Babine, R.]] | [[Category: Babine, R.]] | ||
[[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.]] | ||
[[Category: Strickler, J.]] | [[Category: Strickler, J.]] | ||
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[[Category: serine protease]] | [[Category: serine protease]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 16:16:48 2008'' |
Revision as of 14:16, 21 February 2008
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Factor XI catalytic domain complexed with 2-guanidino-1-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)ethyl nicotinate
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
1ZLR 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.
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 Thu Feb 21 16:16:48 2008
Categories: Coagulation factor XIa | Homo sapiens | Single protein | Babine, R. | Bibbins, F. | Gorga, J C. | Jin, L. | Lazarova, T I. | Meyers, H V. | Rynkiewicz, M. | Strickler, J. | 368 | GOL | SO4 | Boron | Covalent inhibitor | Serine protease
