1XOE

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

Summary for 1XOE

• Entry DOI: 10.2210/pdb1xoe/pdb
• Descriptor: Neuraminidase, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose, ... (6 entities in total)
• Functional Keywords: neuraminidase, pyrrolidine inhibitors, influenza, hydrolase
• Biological source: Influenza A virus
• Cellular location: Virion membrane (By similarity): P03472
• Total number of polymer chains: 1
• Total formula weight: 45562.47

Authors

Wang, G.T.,Wang, S.,Gentles, R.,Sowin, T.,Maring, C.J.,Kempf, D.J.,Kati, W.M.,Stoll, V.,Stewart, K.D.,Laver, G. (deposition date: 2004-10-06, release date: 2005-01-11, Last modification date: 2024-11-20)

Primary citation

Wang, G.T.,Wang, S.,Gentles, R.,Sowin, T.,Maring, C.J.,Kempf, D.J.,Kati, W.M.,Stoll, V.,Stewart, K.D.,Laver, G.
Design, synthesis, and structural analysis of inhibitors of influenza neuraminidase containing a 2,3-disubstituted tetrahydrofuran-5-carboxylic acid core.
Bioorg.Med.Chem.Lett., 15:125-128, 2005

PubMed Abstract: (+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-methoxycarbonyl]tetrahydrofuran-5-carboxylic acid (9) and (+/-)-(2R,3R,5R)-[2-(1'-S-acetamido-3'-methyl)butyl-3-(4'-imidazolyl)]tetrahydrofuran 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.

PubMed: 15582424
DOI: 10.1016/j.bmcl.2004.10.022

Experimental method

X-RAY DIFFRACTION (2.2 Å)