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1xoe

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(New page: 200px<br /><applet load="1xoe" size="450" color="white" frame="true" align="right" spinBox="true" caption="1xoe, resolution 2.20&Aring;" /> '''N9 Tern influenza ne...)
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Revision as of 04:06, 21 November 2007

Image:1xoe.gif

1xoe, resolution 2.20Å

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N9 Tern influenza neuraminidase complexed with (2R,4R,5R)-5-(1-Acetylamino-3-methyl-butyl-pyrrolidine-2, 4-dicarobyxylic acid 4-methyl esterdase complexed with

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

1XOE is a Single protein structure of sequence from Influenza a virus with MAN, NAG and ABX 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

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