2i1r: Difference between revisions
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[[Image:2i1r.jpg|left|200px]] | [[Image:2i1r.jpg|left|200px]] | ||
'''Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure''' | {{Structure | ||
|PDB= 2i1r |SIZE=350|CAPTION= <scene name='initialview01'>2i1r</scene>, resolution 2.2Å | |||
|SITE= | |||
|LIGAND= <scene name='pdbligand=VXR:(5Z)-5-[(5-ETHYL-2-FURYL)METHYLENE]-2-{[(S)-(4-FLUOROPHENYL)(1H-TETRAZOL-5-YL)METHYL]AMINO}-1,3-THIAZOL-4(5H)-ONE'>VXR</scene> | |||
|ACTIVITY= [http://en.wikipedia.org/wiki/RNA-directed_RNA_polymerase RNA-directed RNA polymerase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.7.48 2.7.7.48] | |||
|GENE= | |||
}} | |||
'''Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure''' | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
2I1R is a [ | 2I1R is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Hepatitis_c_virus Hepatitis c virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2I1R OCA]. | ||
==Reference== | ==Reference== | ||
Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure., Yan S, Larson G, Wu JZ, Appleby T, Ding Y, Hamatake R, Hong Z, Yao N, Bioorg Med Chem Lett. 2007 Jan 1;17(1):63-7. Epub 2006 Oct 4. PMID:[http:// | Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure., Yan S, Larson G, Wu JZ, Appleby T, Ding Y, Hamatake R, Hong Z, Yao N, Bioorg Med Chem Lett. 2007 Jan 1;17(1):63-7. Epub 2006 Oct 4. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17049849 17049849] | ||
[[Category: Hepatitis c virus]] | [[Category: Hepatitis c virus]] | ||
[[Category: RNA-directed RNA polymerase]] | [[Category: RNA-directed RNA polymerase]] | ||
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[[Category: viral rna-directed rna polymerase]] | [[Category: viral rna-directed rna polymerase]] | ||
''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 17:24:22 2008'' | ||
Revision as of 15:24, 20 March 2008
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| 2i1r, resolution 2.2Å | |||||||||||||
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| Ligands: | VXR | ||||||||||||
| Activity: | RNA-directed RNA polymerase, with EC number 2.7.7.48 | ||||||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||||||
Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure
Overview
Structure-activity relationships (SAR) of 1 against HCV NS5B polymerase were described. SAR explorations and further structure-based design led to the identifications of 2 and 3 as novel HCV NS5B inhibitors. X-ray structure of 3 in complex with NS5B polymerase was obtained at a resolution of 2.2A, and confirmed the design.
About this Structure
2I1R is a Single protein structure of sequence from Hepatitis c virus. Full crystallographic information is available from OCA.
Reference
Novel thiazolones as HCV NS5B polymerase allosteric inhibitors: Further designs, SAR, and X-ray complex structure., Yan S, Larson G, Wu JZ, Appleby T, Ding Y, Hamatake R, Hong Z, Yao N, Bioorg Med Chem Lett. 2007 Jan 1;17(1):63-7. Epub 2006 Oct 4. PMID:17049849
Page seeded by OCA on Thu Mar 20 17:24:22 2008
