1zgi
From Proteopedia
| Line 1: | Line 1: | ||
| - | [[Image:1zgi.jpg|left|200px]] | + | [[Image:1zgi.jpg|left|200px]] |
| - | + | ||
| - | '''thrombin in complex with an oxazolopyridine inhibitor 21''' | + | {{Structure |
| + | |PDB= 1zgi |SIZE=350|CAPTION= <scene name='initialview01'>1zgi</scene>, resolution 2.2Å | ||
| + | |SITE= | ||
| + | |LIGAND= <scene name='pdbligand=382:(R)-2-(2-(1H-1,2,4-TRIAZOL-1-YL)BENZYL)-N-(2,2-DIFLUORO-2-(PIPERIDIN-2-YL)ETHYL)OXAZOLO[4,5-C]PYRIDIN-4-AMINE'>382</scene> | ||
| + | |ACTIVITY= [http://en.wikipedia.org/wiki/Thrombin Thrombin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.21.5 3.4.21.5] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''thrombin in complex with an oxazolopyridine inhibitor 21''' | ||
| + | |||
==Overview== | ==Overview== | ||
| Line 10: | Line 19: | ||
==About this Structure== | ==About this Structure== | ||
| - | 1ZGI is a [ | + | 1ZGI is a [[Protein complex]] structure of sequences 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=1ZGI OCA]. |
==Reference== | ==Reference== | ||
| - | Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization., Deng JZ, McMasters DR, Rabbat PM, Williams PD, Coburn CA, Yan Y, Kuo LC, Lewis SD, Lucas BJ, Krueger JA, Strulovici B, Vacca JP, Lyle TA, Burgey CS, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4411-6. PMID:[http:// | + | Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization., Deng JZ, McMasters DR, Rabbat PM, Williams PD, Coburn CA, Yan Y, Kuo LC, Lewis SD, Lucas BJ, Krueger JA, Strulovici B, Vacca JP, Lyle TA, Burgey CS, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4411-6. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/16137886 16137886] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Protein complex]] | [[Category: Protein complex]] | ||
| Line 35: | Line 44: | ||
[[Category: thrombin inhibitor complex]] | [[Category: thrombin inhibitor complex]] | ||
| - | ''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 15:35:10 2008'' |
Revision as of 13:35, 20 March 2008
| |||||||
| , resolution 2.2Å | |||||||
|---|---|---|---|---|---|---|---|
| Ligands: | |||||||
| Activity: | Thrombin, with EC number 3.4.21.5 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
thrombin in complex with an oxazolopyridine inhibitor 21
Contents |
Overview
Thrombin-inhibitor X-ray crystal structures, in combination with the installation of binding elements optimized within the pyrazinone series of thrombin inhibitors, were utilized to transform a weak triazolopyrimidine lead into a series of potent oxazolopyridines. A modification intended to attenuate plasma protein binding (i.e., conversion of the P3 pyridine to a piperidine) conferred significant factor Xa activity to this series. Ultimately, these dual thrombin/factor Xa inhibitors demonstrated excellent in vitro and in vivo anticoagulant efficacy.
Disease
Known diseases associated with this structure: Dysprothrombinemia OMIM:[176930], Hyperprothrombinemia OMIM:[176930], Hypoprothrombinemia OMIM:[176930]
About this Structure
1ZGI is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Development of an oxazolopyridine series of dual thrombin/factor Xa inhibitors via structure-guided lead optimization., Deng JZ, McMasters DR, Rabbat PM, Williams PD, Coburn CA, Yan Y, Kuo LC, Lewis SD, Lucas BJ, Krueger JA, Strulovici B, Vacca JP, Lyle TA, Burgey CS, Bioorg Med Chem Lett. 2005 Oct 15;15(20):4411-6. PMID:16137886
Page seeded by OCA on Thu Mar 20 15:35:10 2008
