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5KV9
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BU of 5kv9 by Molmil
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
Descriptor: 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-5-[(2-methylpropanoyl)amino]-4-(4-phenyl-1H-1,2,3-triazol-1-yl)-D-glycero-D-galacto-non-2-en onic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M.
Deposit date:2016-07-13
Release date:2017-07-12
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
5KV8
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BU of 5kv8 by Molmil
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
Descriptor: 1,2-ETHANEDIOL, 2,6-anhydro-3,4,5-trideoxy-4-[4-(methoxymethyl)-1H-1,2,3-triazol-1-yl]-5-[(2-methylpropanoyl)amino]-D-glycero-D-galacto -non-2-enonic acid, 2-acetamido-2-deoxy-alpha-D-glucopyranose, ...
Authors:Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M.
Deposit date:2016-07-13
Release date:2017-07-12
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.949 Å)
Cite:The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
3EWI
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BU of 3ewi by Molmil
Structural analysis of the C-terminal domain of murine CMP-Sialic acid Synthetase
Descriptor: N-acylneuraminate cytidylyltransferase
Authors:Oschlies, M, Dickmanns, A, Stummeyer, K, Gerardy-Schahn, R, Ficner, R, Muenster-Kuehnel, A.K.
Deposit date:2008-10-15
Release date:2009-08-18
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A C-terminal phosphatase module conserved in vertebrate CMP-sialic acid synthetases provides a tetramerization interface for the physiologically active enzyme.
J.Mol.Biol., 393, 2009
8V96
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BU of 8v96 by Molmil
GII.14 M7 norovirus protruding domain
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1
Authors:Kher, G, Prewitt, A, Pancera, M, Hansman, G.
Deposit date:2023-12-07
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
7SE7
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BU of 7se7 by Molmil
Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine
Descriptor: S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SED
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BU of 7sed by Molmil
Crystal structure of human Fibrillarin in complex with compound 2a
Descriptor: FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEC
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BU of 7sec by Molmil
Crystal structure of human Fibrillarin in complex with compound 1a
Descriptor: 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEB
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BU of 7seb by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from single soak
Descriptor: 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE8
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BU of 7se8 by Molmil
Crystal structure of human Fibrillarin in complex with fragment 1 from cocktail soak
Descriptor: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SEA
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BU of 7sea by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from cocktail soak
Descriptor: 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE9
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BU of 7se9 by Molmil
Crystal structure of human Fibrillarin in complex with compound 1 from single soak
Descriptor: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE6
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BU of 7se6 by Molmil
Crystal structure of human Fibrillarin in ligand-free state
Descriptor: FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
Authors:Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
Deposit date:2021-09-30
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
8V98
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BU of 8v98 by Molmil
GII.24 Loreto 1972 norovirus protruding domain
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Capsid protein VP1
Authors:Kher, G, Prewitt, A, Pancera, M, Hansman, G.
Deposit date:2023-12-07
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
8V9A
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BU of 8v9a by Molmil
GII.NA1 Loreto 1257 norovirus protruding domain
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1
Authors:Kher, G, Kim, I, Pancera, M, Hansman, G.
Deposit date:2023-12-07
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.67 Å)
Cite:Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
8V97
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BU of 8v97 by Molmil
GII.17 CS-E1 norovirus protruding domain
Descriptor: 1,2-ETHANEDIOL, Capsid protein VP1, DI(HYDROXYETHYL)ETHER
Authors:Kher, G, Prewitt, A, Pancera, M, Hansman, G.
Deposit date:2023-12-07
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
8V95
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BU of 8v95 by Molmil
GII.8 Amsterdam norovirus protruding domain
Descriptor: 1,2-ETHANEDIOL, Capsid protein (Fragment)
Authors:Kher, G, Prewitt, A, Pancera, M, Hansman, G.
Deposit date:2023-12-07
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
8V99
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BU of 8v99 by Molmil
GII.26 Leon 4509 norovirus protruding domain
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, Capsid protein VP1, ...
Authors:Kher, G, Reese, T, Pancera, M, Hansman, G.
Deposit date:2023-12-07
Release date:2024-06-19
Last modified:2024-07-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Development of a broad-spectrum therapeutic Fc-nanobody for human noroviruses.
J.Virol., 98, 2024
2I2S
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BU of 2i2s by Molmil
Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, ...
Authors:Blanchard, H.
Deposit date:2006-08-16
Release date:2007-04-03
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insight into Host Cell Carbohydrate-recognition by Human and Porcine Rotavirus from Crystal Structures of the Virion Spike Associated Carbohydrate-binding Domain (VP8*)
J.Mol.Biol., 367, 2007
8EN4
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BU of 8en4 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 53
Descriptor: 1,2-ETHANEDIOL, Nanobody 53, VP1
Authors:Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EN5
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BU of 8en5 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 56
Descriptor: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GII.4 P domain, ...
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EMZ
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BU of 8emz by Molmil
Structure of GII.17 norovirus in complex with Nanobody 2
Descriptor: 1,2-ETHANEDIOL, GII.17 P domain, Nanobody 2
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EN1
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BU of 8en1 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 30
Descriptor: GII.4 P domain, Nanobody 30
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EN0
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BU of 8en0 by Molmil
Structure of GII.17 norovirus in complex with Nanobody 7
Descriptor: Capsid protein VP1, Nanobody 7
Authors:Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EN6
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BU of 8en6 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 76
Descriptor: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GII.4 P domain, ...
Authors:Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EN2
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BU of 8en2 by Molmil
Structure of GII.10 norovirus in complex with Nanobody 34
Descriptor: 1,2-ETHANEDIOL, GII.10 P domain, Nanobody 34
Authors:Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G.
Deposit date:2022-09-28
Release date:2023-03-15
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023

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