1zpb: Difference between revisions
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[[Image:1zpb.gif|left|200px]] | [[Image:1zpb.gif|left|200px]] | ||
'''Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide''' | {{Structure | ||
|PDB= 1zpb |SIZE=350|CAPTION= <scene name='initialview01'>1zpb</scene>, resolution 2.10Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene> and <scene name='pdbligand=995:4-METHYL-PENTANOIC ACID {1-[4-GUANIDINO-1-(THIAZOLE-2-CARBONYL)-BUTYLCARBAMOYL]-2-METHYL-PROPYL}-AMIDE'>995</scene> | |||
|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] | |||
|GENE= F11 ([http://www.ncbi.nlm.nih.gov/Taxonomy/Browser/wwwtax.cgi?mode=Info&srchmode=5&id=9606 Homo sapiens]) | |||
}} | |||
'''Crystal Structure of the Catalytic Domain of Coagulation Factor XI in Complex with 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
1ZPB is a [ | 1ZPB 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=1ZPB OCA]. | ||
==Reference== | ==Reference== | ||
Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine., Deng H, Bannister TD, Jin L, Babine RE, Quinn J, Nagafuji P, Celatka CA, Lin J, Lazarova TI, Rynkiewicz MJ, Bibbins F, Pandey P, Gorga J, Meyers HV, Abdel-Meguid SS, Strickler JE, Bioorg Med Chem Lett. 2006 Jun 1;16(11):3049-54. Epub 2006 Mar 9. PMID:[http:// | Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine., Deng H, Bannister TD, Jin L, Babine RE, Quinn J, Nagafuji P, Celatka CA, Lin J, Lazarova TI, Rynkiewicz MJ, Bibbins F, Pandey P, Gorga J, Meyers HV, Abdel-Meguid SS, Strickler JE, Bioorg Med Chem Lett. 2006 Jun 1;16(11):3049-54. Epub 2006 Mar 9. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16524727 16524727] | ||
[[Category: Coagulation factor XIa]] | [[Category: Coagulation factor XIa]] | ||
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
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[[Category: inhibitor]] | [[Category: inhibitor]] | ||
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:38:16 2008'' | ||
Revision as of 16:38, 20 March 2008
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| , resolution 2.10Å | |||||||
|---|---|---|---|---|---|---|---|
| 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 4-Methyl-pentanoic acid {1-[4-guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-2-methyl-propyl}-amide
OverviewOverview
Using an alpha-ketothiazole arginine moiety as a key recognition element, a series of small peptidomimetic molecules was designed and synthesized, and their co-crystal structures with factor XIa were studied in an effort to develop smaller, less peptidic inhibitors as antithrombotic agents.
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
1ZPB is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
ReferenceReference
Synthesis, SAR exploration, and X-ray crystal structures of factor XIa inhibitors containing an alpha-ketothiazole arginine., Deng H, Bannister TD, Jin L, Babine RE, Quinn J, Nagafuji P, Celatka CA, Lin J, Lazarova TI, Rynkiewicz MJ, Bibbins F, Pandey P, Gorga J, Meyers HV, Abdel-Meguid SS, Strickler JE, Bioorg Med Chem Lett. 2006 Jun 1;16(11):3049-54. Epub 2006 Mar 9. PMID:16524727
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