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4GB1
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BU of 4gb1 by Molmil
Synthesis and Evaluation of Novel 3-C-alkylated-Neu5Ac2en Derivatives as Probes of Influenza Virus Sialidase 150-loop flexibility
Descriptor: 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-phenylprop-2-en-1-yl]-D-glycero-L-altro-non-2-enonic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Rudrawar, S, Rameix-Welti, M.-A, Maggioni, A, Dyason, J.C, Rose, F.J, van der Werf, S, Thomson, R.J, Naffakh, N, Russell, R.J.M, von Itzstein, M.
Deposit date:2012-07-26
Release date:2012-09-26
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Synthesis and evaluation of novel 3-C-alkylated-Neu5Ac2en derivatives as probes of influenza virus sialidase 150-loop flexibility.
Org.Biomol.Chem., 10, 2012
6BR5
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BU of 6br5 by Molmil
N2 neuraminidase in complex with a novel antiviral compound
Descriptor: (1R)-4-acetamido-1,5-anhydro-3-carbamimidamido-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M.
Deposit date:2017-11-30
Release date:2018-03-07
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.0379076 Å)
Cite:A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity.
ChemMedChem, 13, 2018
6BR6
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BU of 6br6 by Molmil
N2 neuraminidase in complex with a novel antiviral compound
Descriptor: (1R)-4-acetamido-3-amino-1,5-anhydro-2,3,4-trideoxy-1-sulfo-D-glycero-D-galacto-octitol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Li, L.H, Ve, T, Pascolutti, M, Hadhazi, A, Bailly, B, Thomson, R.J, Gao, G.F, von Itzstein, M.
Deposit date:2017-11-30
Release date:2018-03-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.03983879 Å)
Cite:A Sulfonozanamivir Analogue Has Potent Anti-influenza Virus Activity.
ChemMedChem, 13, 2018
2F13
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BU of 2f13 by Molmil
Crystal Structure of the Human Sialidase Neu2 in Complex with 2',3'- dihydroxypropyl ether mimetic Inhibitor
Descriptor: (2R)-2,3-dihydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid, PHOSPHATE ION, Sialidase 2
Authors:Chavas, L.M.G, Kato, R, Mann, M.C, Thomson, R.J, Dyason, J.C, von Itzstein, M, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S.
Deposit date:2005-11-14
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal Structure of the Human Sialidase Neu2 in Complex with 2',3'- dihydroxypropyl ether mimetic Inhibitor
To be Published
2F11
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BU of 2f11 by Molmil
Crystal Structure of the Human Sialidase Neu2 in Complex with isobutyl ether mimetic Inhibitor
Descriptor: 2-methylpropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid, PHOSPHATE ION, Sialidase 2
Authors:Chavas, L.M.G, Kato, R, Mann, M.C, Thomson, R.J, Dyason, J.C, von Itzstein, M, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S.
Deposit date:2005-11-14
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Crystal Structure of the Human Sialidase Neu2 in Complex with isobutyl ether mimetic Inhibitor
To be Published
2F12
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BU of 2f12 by Molmil
Crystal Structure of the Human Sialidase Neu2 in Complex with 3- hydroxypropyl ether mimetic Inhibitor
Descriptor: 3-hydroxypropyl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid, PHOSPHATE ION, Sialidase 2
Authors:Chavas, L.M.G, Kato, R, Mann, M.C, Thomson, R.J, Dyason, J.C, von Itzstein, M, Fusi, P, Tringali, C, Venerando, B, Tettamanti, G, Monti, E, Wakatsuki, S.
Deposit date:2005-11-14
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Crystal Structure of the Human Sialidase Neu2 in Complex with 3- hydroxypropyl ether mimetic Inhibitor
To be Published
5BWI
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BU of 5bwi by Molmil
Crystallographic structure of a bacterial heparanase
Descriptor: ACETATE ION, GLYCEROL, Glycoside Hydrolase Family 79, ...
Authors:Yu, X, Blanchard, H.
Deposit date:2015-06-08
Release date:2015-10-28
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Functional and structural characterization of a heparanase.
Nat.Chem.Biol., 11, 2015
3O9K
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BU of 3o9k by Molmil
Influenza NA in complex with compound 6
Descriptor: 5-acetamido-2,6-anhydro-3,5-dideoxy-3-[(2E)-3-(4-methylphenyl)prop-2-en-1-yl]-D-glycero-D-galacto-non-2-enonic acid, Neuraminidase
Authors:Russell, R.J, Kerry, P.S.
Deposit date:2010-08-04
Release date:2010-12-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.4945 Å)
Cite:Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase.
Nat Commun, 1, 2010
3O9J
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BU of 3o9j by Molmil
Influenza NA in complex with compound 5
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose, 5-acetamido-2,6-anhydro-3,5-dideoxy-3-prop-2-en-1-yl-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, ...
Authors:Russell, R.J, Kerry, P.S.
Deposit date:2010-08-04
Release date:2010-12-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.0002 Å)
Cite:Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase.
Nat Commun, 1, 2010
4D8S
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BU of 4d8s by Molmil
Influenza NA in complex with antiviral compound
Descriptor: CALCIUM ION, Neuraminidase, pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
Authors:Kerry, P.S, Russell, R.J.M.R.
Deposit date:2012-01-11
Release date:2013-02-13
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.398 Å)
Cite:Exploring the interactions of unsaturated glucuronides with influenza virus sialidase.
J.Med.Chem., 55, 2012
6C0M
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BU of 6c0m by Molmil
The synthesis, biological evaluation and structural insights of unsaturated 3-N-substituted sialic acids as probes of human parainfluenza virus-3 haemagglutinin-neuraminidase
Descriptor: 1,2-ETHANEDIOL, 2,6-anhydro-3,5-dideoxy-5-[(2-methylpropanoyl)amino]-3-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-enoni c acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dirr, L, Ve, T, von Itzstein, M.
Deposit date:2018-01-01
Release date:2018-06-27
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Structural Insights into Human Parainfluenza Virus 3 Hemagglutinin-Neuraminidase Using Unsaturated 3- N-Substituted Sialic Acids as Probes.
ACS Chem. Biol., 13, 2018

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