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1xoe

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[[Image:1xoe.gif|left|200px]]<br /><applet load="1xoe" size="350" color="white" frame="true" align="right" spinBox="true"
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[[Image:1xoe.gif|left|200px]]
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caption="1xoe, resolution 2.20&Aring;" />
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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'''<br />
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{{Structure
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|PDB= 1xoe |SIZE=350|CAPTION= <scene name='initialview01'>1xoe</scene>, resolution 2.20&Aring;
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|SITE=
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|LIGAND= <scene name='pdbligand=MAN:ALPHA-D-MANNOSE'>MAN</scene>, <scene name='pdbligand=NAG:N-ACETYL-D-GLUCOSAMINE'>NAG</scene> and <scene name='pdbligand=ABX:5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE'>ABX</scene>
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|ACTIVITY= [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]
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|GENE=
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}}
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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'''
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==Overview==
==Overview==
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==About this Structure==
==About this Structure==
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1XOE 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=ABX:'>ABX</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=1XOE OCA].
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1XOE is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Influenza_a_virus Influenza a virus]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1XOE OCA].
==Reference==
==Reference==
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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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=15582424 15582424]
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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:[http://www.ncbi.nlm.nih.gov/pubmed/15582424 15582424]
[[Category: Exo-alpha-sialidase]]
[[Category: Exo-alpha-sialidase]]
[[Category: Influenza a virus]]
[[Category: Influenza a virus]]
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[[Category: influenza]]
[[Category: influenza]]
[[Category: neuraminidase]]
[[Category: neuraminidase]]
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[[Category: pyrrolidine inhibitors]]
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[[Category: pyrrolidine inhibitor]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 15:56:58 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 15:12:27 2008''

Revision as of 13:12, 20 March 2008

Image:1xoe.gif


PDB ID 1xoe

Drag the structure with the mouse to rotate
, resolution 2.20Å
Ligands: , and
Activity: Exo-alpha-sialidase, with EC number 3.2.1.18
Coordinates: save as pdb, mmCIF, xml



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. 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 Mar 20 15:12:27 2008

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