1xog
From Proteopedia
(New page: 200px<br /><applet load="1xog" size="450" color="white" frame="true" align="right" spinBox="true" caption="1xog, resolution 2.80Å" /> '''N9 Tern Influenza ne...) |
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| - | [[Image:1xog.gif|left|200px]]<br /><applet load="1xog" size=" | + | [[Image:1xog.gif|left|200px]]<br /><applet load="1xog" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="1xog, resolution 2.80Å" /> | caption="1xog, resolution 2.80Å" /> | ||
'''N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid'''<br /> | '''N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid'''<br /> | ||
==Overview== | ==Overview== | ||
| - | (+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-methoxycarbonyl]tetr | + | (+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-methoxycarbonyl]tetr ahydrofuran-5-carboxylic acid (9) and (+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-(4'-imidazolyl)]tetr ahydrofuran 5-carboxylic acid (14) were synthesized as inhibitors of influenza neuraminidase (NA). Both compounds 9 and 14 inhibit influenza NA A with an IC(50) of about 0.5 microM and NA B with an IC(50) of 1.0 microM. |
==About this Structure== | ==About this Structure== | ||
| - | 1XOG is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus Influenza a virus] with MAN, NAG and ABW as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] Full crystallographic information is available from [http:// | + | 1XOG is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus Influenza a virus] with <scene name='pdbligand=MAN:'>MAN</scene>, <scene name='pdbligand=NAG:'>NAG</scene> and <scene name='pdbligand=ABW:'>ABW</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/Exo-alpha-sialidase Exo-alpha-sialidase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.2.1.18 3.2.1.18] Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XOG OCA]. |
==Reference== | ==Reference== | ||
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[[Category: Single protein]] | [[Category: Single protein]] | ||
[[Category: Gentles, R.]] | [[Category: Gentles, R.]] | ||
| - | [[Category: Kati, W | + | [[Category: Kati, W M.]] |
| - | [[Category: Kempf, D | + | [[Category: Kempf, D J.]] |
[[Category: Laver, G.]] | [[Category: Laver, G.]] | ||
| - | [[Category: Maring, C | + | [[Category: Maring, C J.]] |
[[Category: Sowin, T.]] | [[Category: Sowin, T.]] | ||
| - | [[Category: Stewart, K | + | [[Category: Stewart, K D.]] |
[[Category: Stoll, V.]] | [[Category: Stoll, V.]] | ||
| - | [[Category: Wang, G | + | [[Category: Wang, G T.]] |
[[Category: Wang, S.]] | [[Category: Wang, S.]] | ||
[[Category: ABW]] | [[Category: ABW]] | ||
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[[Category: tetrahydrofuran inhibitors]] | [[Category: tetrahydrofuran inhibitors]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:56:58 2008'' |
Revision as of 13:57, 21 February 2008
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N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid
Overview
(+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-methoxycarbonyl]tetr ahydrofuran-5-carboxylic acid (9) and (+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-(4'-imidazolyl)]tetr ahydrofuran 5-carboxylic acid (14) were synthesized as inhibitors of influenza neuraminidase (NA). Both compounds 9 and 14 inhibit influenza NA A with an IC(50) of about 0.5 microM and NA B with an IC(50) of 1.0 microM.
About this Structure
1XOG is a Single protein structure of sequence from Influenza a virus with , and as ligands. Active as Exo-alpha-sialidase, with EC number 3.2.1.18 Full crystallographic information is available from OCA.
Reference
Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core., Wang GT, Wang S, Gentles R, Sowin T, Maring CJ, Kempf DJ, Kati WM, Stoll V, Stewart KD, Laver G, Bioorg Med Chem Lett. 2005 Jan 3;15(1):125-8. PMID:15582424
Page seeded by OCA on Thu Feb 21 15:56:58 2008
Categories: Exo-alpha-sialidase | Influenza a virus | Single protein | Gentles, R. | Kati, W M. | Kempf, D J. | Laver, G. | Maring, C J. | Sowin, T. | Stewart, K D. | Stoll, V. | Wang, G T. | Wang, S. | ABW | MAN | NAG | Influenza | Neuraminidase | Tetrahydrofuran inhibitors
