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2I2S
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BU of 2i2s by Molmil
Crystal Structure of the porcine CRW-8 rotavirus VP8* carbohydrate-recognising domain
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, ...
著者Blanchard, H.
登録日2006-08-16
公開日2007-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
3EWI
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BU of 3ewi by Molmil
Structural analysis of the C-terminal domain of murine CMP-Sialic acid Synthetase
分子名称: N-acylneuraminate cytidylyltransferase
著者Oschlies, M, Dickmanns, A, Stummeyer, K, Gerardy-Schahn, R, Ficner, R, Muenster-Kuehnel, A.K.
登録日2008-10-15
公開日2009-08-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
7KR9
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BU of 7kr9 by Molmil
Bifunctional enzyme GlmU bound to Zn(II)
分子名称: ACETYL COENZYME *A, Bifunctional protein GlmU, CALCIUM ION, ...
著者Maher, M.J.
登録日2020-11-19
公開日2021-12-01
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Dysregulation of Streptococcus pneumoniae zinc homeostasis breaks ampicillin resistance in a pneumonia infection model.
Cell Rep, 38, 2022
8F73
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BU of 8f73 by Molmil
Crystal structure of Pseudomonas aeruginosa UDP-glucose phosphorylase in complex with UDP-glucose
分子名称: 1,2-ETHANEDIOL, ACETATE ION, MAGNESIUM ION, ...
著者Dirr, L, Fuehring, J.
登録日2022-11-17
公開日2023-11-29
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Tetramerization is essential for the enzymatic function of the Pseudomonas aeruginosa virulence factor UDP-glucose pyrophosphorylase.
Mbio, 15, 2024
5KV9
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BU of 5kv9 by Molmil
Crystal structure of a hPIV haemagglutinin-neuraminidase-inhibitor complex
分子名称: 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, ...
著者Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M.
登録日2016-07-13
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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
分子名称: 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, ...
著者Dirr, L, El-Deeb, I.M, Chavas, L.M.G, Guillon, P, von Itzstein, M.
登録日2016-07-13
公開日2017-07-12
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.949 Å)
主引用文献The impact of the butterfly effect on human parainfluenza virus haemagglutinin-neuraminidase inhibitor design.
Sci Rep, 7, 2017
7SEB
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BU of 7seb by Molmil
Crystal structure of human Fibrillarin in complex with compound 2 from single soak
分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献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
分子名称: FORMIC ACID, N-(piperidin-4-yl)-6-(trifluoromethyl)pyrimidin-4-amine, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: 2-[(8S)-4-oxo-2-(trifluoromethyl)-4,5-dihydropyrazolo[1,5-a]pyrazin-6-yl]acetamide, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: FORMIC ACID, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
7SE7
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BU of 7se7 by Molmil
Crystal structure of human Fibrillarin in complex with S-adenosyl-L-methionine
分子名称: S-ADENOSYLMETHIONINE, rRNA 2'-O-methyltransferase fibrillarin
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: (5S)-3-methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献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
分子名称: 6-(trifluoromethyl)pyrimidin-4-amine, DIMETHYL SULFOXIDE, FORMIC ACID, ...
著者Shi, Y, El-Deeb, I.M, Masic, V, Hartley-Tassell, L, Maggioni, A, von Itzstein, M, Ve, T.
登録日2021-09-30
公開日2022-02-09
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Discovery of Cofactor Competitive Inhibitors against the Human Methyltransferase Fibrillarin.
Pharmaceuticals, 15, 2021
4D8S
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BU of 4d8s by Molmil
Influenza NA in complex with antiviral compound
分子名称: CALCIUM ION, Neuraminidase, pentan-3-yl 2-acetamido-2,4-dideoxy-alpha-L-threo-hex-4-enopyranosiduronic acid
著者Kerry, P.S, Russell, R.J.M.R.
登録日2012-01-11
公開日2013-02-13
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.398 Å)
主引用文献Exploring the interactions of unsaturated glucuronides with influenza virus sialidase.
J.Med.Chem., 55, 2012
5BWI
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BU of 5bwi by Molmil
Crystallographic structure of a bacterial heparanase
分子名称: ACETATE ION, GLYCEROL, Glycoside Hydrolase Family 79, ...
著者Yu, X, Blanchard, H.
登録日2015-06-08
公開日2015-10-28
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Functional and structural characterization of a heparanase.
Nat.Chem.Biol., 11, 2015
2DWR
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BU of 2dwr by Molmil
Crystal structure of the human Wa rotavirus VP8* carbohydrate-recognising domain
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Outer capsid protein
著者Blanchard, H.
登録日2006-08-16
公開日2007-04-03
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献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
3O9K
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BU of 3o9k by Molmil
Influenza NA in complex with compound 6
分子名称: 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
著者Russell, R.J, Kerry, P.S.
登録日2010-08-04
公開日2010-12-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.4945 Å)
主引用文献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
分子名称: 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, ...
著者Russell, R.J, Kerry, P.S.
登録日2010-08-04
公開日2010-12-15
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.0002 Å)
主引用文献Novel sialic acid derivatives lock open the 150-loop of an influenza A virus group-1 sialidase.
Nat Commun, 1, 2010
8EMZ
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BU of 8emz by Molmil
Structure of GII.17 norovirus in complex with Nanobody 2
分子名称: 1,2-ETHANEDIOL, GII.17 P domain, Nanobody 2
著者Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GII.4 P domain, ...
著者Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, GII.4 P domain, ...
著者Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EN3
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BU of 8en3 by Molmil
Structure of GII.17 norovirus in complex with Nanobody 45
分子名称: 1,2-ETHANEDIOL, Capsid protein VP1, Nanobody 45
著者Kher, G, Sabin, C, Pancera, M, Koromyslova, A, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023
8EN4
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BU of 8en4 by Molmil
Structure of GII.4 norovirus in complex with Nanobody 53
分子名称: 1,2-ETHANEDIOL, Nanobody 53, VP1
著者Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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
分子名称: Capsid protein VP1, Nanobody 7
著者Kher, G, Sabin, C, Koromyslova, A, Pancera, M, Hansman, G.
登録日2022-09-28
公開日2023-03-15
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.99 Å)
主引用文献Direct Blockade of the Norovirus Histo-Blood Group Antigen Binding Pocket by Nanobodies.
J.Virol., 97, 2023

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