1B9S
 
 | | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(N-ACETYLAMINO)-3-[N-(2-ETHYLBUTANOYLAMINO)]BENZOIC ACID, CALCIUM ION, ... | | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | | Deposit date: | 1999-02-15 | | Release date: | 1999-02-26 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.
J.Mol.Biol., 293, 1999
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1B9T
 | | NOVEL AROMATIC INHIBITORS OF INFLUENZA VIRUS NEURAMINIDASE MAKE SELECTIVE INTERACTIONS WITH CONSERVED RESIDUES AND WATER MOLECULES IN THE ACTIVE SITE | | Descriptor: | 1-(4-CARBOXY-2-GUANIDINOPENTYL)-5,5'-DI(HYDROXYMETHYL)PYRROLIDIN-2-ONE, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Finley, J.B, Atigadda, V.R, Duarte, F, Zhao, J.J, Brouillette, W.J, Air, G.M, Luo, M. | | Deposit date: | 1999-02-15 | | Release date: | 1999-02-27 | | Last modified: | 2023-08-09 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Novel aromatic inhibitors of influenza virus neuraminidase make selective interactions with conserved residues and water molecules in the active site.
J.Mol.Biol., 293, 1999
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1F8B
 | | Native Influenza Virus Neuraminidase in Complex with NEU5AC2EN | | Descriptor: | 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Smith, B.J, Colman, P.M, Von Itzstein, M, Danylec, B, Varghese, J.N. | | Deposit date: | 2000-06-30 | | Release date: | 2001-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Analysis of inhibitor binding in influenza virus neuraminidase.
Protein Sci., 10, 2001
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1F8C
 | | Native Influenza Neuraminidase in Complex with 4-amino-2-deoxy-2,3-dehydro-N-neuraminic Acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ... | | Authors: | Smith, B.J, Colman, P.M, Von Itzstein, M, Danylec, B, Varghese, J.N. | | Deposit date: | 2000-06-30 | | Release date: | 2001-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Analysis of inhibitor binding in influenza virus neuraminidase.
Protein Sci., 10, 2001
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1F8D
 | | Native Influenza Neuraminidase in Complex with 9-amino-2-deoxy-2,3-dehydro-N-neuraminic Acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 9-AMINO-2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, ... | | Authors: | Smith, B.J, Colman, P.M, Von Itzstein, M, Danylec, B, Varghese, J.N. | | Deposit date: | 2000-06-30 | | Release date: | 2001-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Analysis of inhibitor binding in influenza virus neuraminidase.
Protein Sci., 10, 2001
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1F8E
 | | Native Influenza Neuraminidase in Complex with 4,9-diamino-2-deoxy-2,3-dehydro-N-acetyl-neuraminic Acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4,9-AMINO-2,4-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, CALCIUM ION, ... | | Authors: | Smith, B.J, Colman, P.M, Von Itzstein, M, Danylec, B, Varghese, J.N. | | Deposit date: | 2000-06-30 | | Release date: | 2001-04-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Analysis of inhibitor binding in influenza virus neuraminidase.
Protein Sci., 10, 2001
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1L7H
 | | Crystal structure of R292K mutant influenza virus neuraminidase in complex with BCX-1812 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | | Deposit date: | 2002-03-15 | | Release date: | 2002-05-29 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
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1L7F
 | | Crystal structure of influenza virus neuraminidase in complex with BCX-1812 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | | Deposit date: | 2002-03-15 | | Release date: | 2002-05-29 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
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1L7G
 | | Crystal structure of E119G mutant influenza virus neuraminidase in complex with BCX-1812 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(1-ACETYLAMINO-2-ETHYL-BUTYL)-4-GUANIDINO-2-HYDROXY-CYCLOPENTANECARBOXYLIC ACID, ... | | Authors: | Smith, B.J, McKimm-Breshkin, J.L, McDonald, M, Fernley, R.T, Varghese, J.N, Colman, P.M. | | Deposit date: | 2002-03-15 | | Release date: | 2002-05-29 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structural studies of the resistance of influenza virus neuramindase to inhibitors.
J.Med.Chem., 45, 2002
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1VCJ
 | | Influenza B virus neuraminidase complexed with 1-(4-Carboxy-2-(3-pentylamino)phenyl)-5-aminomethyl-5-hydroxymethyl-pyrrolidin-2-one | | Descriptor: | 4-[(2R)-2-(AMINOMETHYL)-2-(HYDROXYMETHYL)-5-OXOPYRROLIDIN-1-YL]-3-[(1-ETHYLPROPYL)AMINO]BENZOIC ACID, NEURAMINIDASE | | Authors: | Lommer, B.S, Ali, S.M, Bajpai, S.N, Brouillette, W.J, Air, G.M, Luo, M. | | Deposit date: | 2004-03-09 | | Release date: | 2004-03-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A benzoic acid inhibitor induces a novel conformational change in the active site of Influenza B virus neuraminidase.
Acta Crystallogr.,Sect.D, 60, 2004
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1V0Z
 | | Structure of Neuraminidase from English duck subtype N6 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2004-03-12 | | Release date: | 2006-01-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | The Crystal Structure of Influenza Type a Virus Neuraminidase of the N6 Subtype at 1.85 A Resolution
To be Published
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1W1X
 | | Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 3 hours at 277 K. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2004-06-24 | | Release date: | 2006-01-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites
To be Published
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1W20
 | | Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 3 hours at 291 K | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2004-06-24 | | Release date: | 2006-01-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites
To be Published
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1W21
 | | Structure of Neuraminidase from English duck subtype N6 complexed with 30 mM sialic acid (NANA, Neu5Ac), crystal soaked for 43 hours at 291 K. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2004-06-25 | | Release date: | 2006-01-25 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.08 Å) | | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites
To be Published
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1XOG
 | | N9 Tern Influenza neuraminidase complexed with a 2,5-Disubstituted tetrahydrofuran-5-carboxylic acid | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-2,5-ANHYDRO-3,4-DIDEOXY-4-(METHOXYCARBONYL)PENTONIC ACID, Neuraminidase, ... | | 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. | | Deposit date: | 2004-10-06 | | Release date: | 2005-01-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | 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, 2005
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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 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-[1-(ACETYLAMINO)-3-METHYLBUTYL]-4-(METHOXYCARBONYL)PROLINE, Neuraminidase, ... | | 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. | | Deposit date: | 2004-10-06 | | Release date: | 2005-01-11 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | 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, 2005
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2AEP
 | | An epidemiologically significant epitope of a 1998 influenza virus neuraminidase forms a highly hydrated interface in the NA-antibody complex. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, FAB heavy chain, ... | | Authors: | Venkatramani, L, Bochkareva, E, Lee, J.T, Gulati, U, Laver, W.G, Bochkarev, A, Air, G.M. | | Deposit date: | 2005-07-23 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | An Epidemiologically Significant Epitope of a 1998 Human Influenza Virus Neuraminidase Forms a Highly Hydrated Interface in the NA-Antibody Complex
J.Mol.Biol., 356, 2006
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2AEQ
 | | An epidemiologically significant epitope of a 1998 influenza virus neuraminidase forms a highly hydrated interface in the NA-antibody complex. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, FAB heavy chain, FAB light chain, ... | | Authors: | Venkatramani, L, Bochkarev, A, Air, G.M. | | Deposit date: | 2005-07-23 | | Release date: | 2005-12-20 | | Last modified: | 2023-08-23 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | An Epidemiologically Significant Epitope of a 1998 Human Influenza Virus Neuraminidase Forms a Highly Hydrated Interface in the NA-Antibody Complex
J.Mol.Biol., 356, 2006
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2B8H
 | | A/NWS/whale/Maine/1/84 (H1N9) reassortant influenza virus neuraminidase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Smith, B.J, Platis, D, Cox, M.M.J, Huyton, T, Joosten, R.P, McKimm-Breschkin, J.L, Zhang, J.-G, Luo, C.S, Lou, M.-Z, Garrett, T.P.J, Labrou, N.E. | | Deposit date: | 2005-10-07 | | Release date: | 2006-09-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Structure of a calcium-deficient form of influenza virus neuraminidase: implications for substrate binding.
Acta Crystallogr.,Sect.D, 62, 2006
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2C4A
 | | Structure of Neuraminidase Subtype N9 Complexed with 30 MM Sialic Acid (NANA, NEU5AC), Crystal Soaked for 3 Hours at 291 K. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2005-10-17 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Crystal Structure of Influenza Type a Virus Neuraminidase of the N6 Subtype at 1.85 A Resolution
To be Published
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2C4L
 | | Structure of Neuraminidase Subtype N9 Complexed with 30 MM Sialic Acid (NANA, NEU5AC), Crystal Soaked for 24 Hours at 291 K and Finally Backsoaked for 30 Min in a Cryoprotectant Solution which did not contain NEU5AC | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, N-acetyl-alpha-neuraminic acid, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2005-10-20 | | Release date: | 2007-03-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Crystal Structure of Influenza Type a Virus Neuraminidase of the N6 Subtype at 1.85 A Resolution
To be Published
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2CML
 | | Structure of Neuraminidase from English Duck Subtype N6 Complexed with 30 MM ZANAMIVIR, Crystal Soaked for 3 Hours at 291 K. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Rudino-Pinera, E, Tunnah, P, Lukacik, P, Crennell, S.J, Webster, R.G, Laver, W.G, Garman, E.F. | | Deposit date: | 2006-05-10 | | Release date: | 2007-06-05 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | The Crystal Structure of Type a Influenza Virus Neuraminidase of the N6 Subtype Reveals the Existence of Two Separate Neu5Ac Binding Sites
To be Published
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2HT5
 | | N8 Neuraminidase | | Descriptor: | 2-acetamido-2-deoxy-alpha-D-glucopyranose, CALCIUM ION, Neuraminidase | | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2006-07-25 | | Release date: | 2006-09-05 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
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2HT7
 | | N8 neuraminidase in open complex with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2006-07-25 | | Release date: | 2006-09-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
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2HT8
 | | N8 neuraminidase in complex with oseltamivir | | Descriptor: | (3R,4R,5S)-4-(acetylamino)-5-amino-3-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, Neuraminidase | | Authors: | Russell, R.J, Haire, L.F, Stevens, D.J, Collins, P.J, Lin, Y.P, Blackburn, G.M, Hay, A.J, Gamblin, S.J, Skehel, J.J. | | Deposit date: | 2006-07-25 | | Release date: | 2006-09-05 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | The structure of H5N1 avian influenza neuraminidase suggests new opportunities for drug design.
Nature, 443, 2006
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