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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
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
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
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
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
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
3SIT
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BU of 3sit by Molmil
Crystal structure of porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Outer capsid protein VP4, ...
著者Blanchard, H, Yu, X.
登録日2011-06-20
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Novel structural insights into rotavirus recognition of ganglioside glycan receptors.
J.Mol.Biol., 413, 2011
3SIS
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BU of 3sis by Molmil
Crystal structure of Porcine CRW-8 Rotavirus VP8* in complex with aceramido-GM3_Gc
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, N-glycolyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, Outer capsid protein VP4, ...
著者Blanchard, H, Yu, X.
登録日2011-06-20
公開日2011-09-28
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Novel structural insights into rotavirus recognition of ganglioside glycan receptors.
J.Mol.Biol., 413, 2011
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
3I27
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BU of 3i27 by Molmil
Structure of bovine torovirus Hemagglutinin-Esterase in complex with receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ...
著者Zeng, Q.H, Huizinga, E.G.
登録日2009-06-29
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases
Proc.Natl.Acad.Sci.USA, 106, 2009
3I26
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BU of 3i26 by Molmil
Structure of bovine torovirus Hemagglutinin-Esterase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin-esterase, ...
著者Zeng, Q.H, Huizinga, E.G.
登録日2009-06-29
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases
Proc.Natl.Acad.Sci.USA, 106, 2009
3I1L
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BU of 3i1l by Molmil
Structure of porcine torovirus Hemagglutinin-Esterase in complex with its receptor
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Hemagglutinin-esterase protein, ...
著者Zeng, Q.H, Huizinga, E.G.
登録日2009-06-26
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.79 Å)
主引用文献Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases
Proc.Natl.Acad.Sci.USA, 106, 2009
3I1K
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BU of 3i1k by Molmil
Structure of porcine torovirus Hemagglutinin-Esterase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETIC ACID, Hemagglutinin-esterase protein
著者Zeng, Q.H, Huizinga, E.G.
登録日2009-06-26
公開日2009-09-15
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Structural basis for ligand and substrate recognition by torovirus hemagglutinin esterases
Proc.Natl.Acad.Sci.USA, 106, 2009
2P3I
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BU of 2p3i by Molmil
Crystal structure of Rhesus Rotavirus VP8* at 295K
分子名称: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, SULFATE ION, VP4
著者Blanchard, H.
登録日2007-03-09
公開日2008-03-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein
Glycobiology, 19, 2009
2P3K
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BU of 2p3k by Molmil
Crystal structure of Rhesus rotavirus VP8* at 100K
分子名称: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, GLYCEROL, SULFATE ION, ...
著者Blanchard, H.
登録日2007-03-09
公開日2008-03-11
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein
Glycobiology, 19, 2009
2P3J
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BU of 2p3j by Molmil
Crystal structure of the Arg101Ala mutant protein of Rhesus rotavirus VP8*
分子名称: 2-O-methyl-5-N-acetyl-alpha-D-neuraminic acid, SULFATE ION, VP4
著者Blanchard, H.
登録日2007-03-09
公開日2008-03-11
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Effects on sialic acid recognition of amino acid mutations in the carbohydrate-binding cleft of the rotavirus spike protein
Glycobiology, 19, 2009
1NNC
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BU of 1nnc by Molmil
INFLUENZA VIRUS NEURAMINIDASE SUBTYPE N9 (TERN) COMPLEXED WITH 4-GUANIDINO-NEU5AC2EN INHIBITOR
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, NEURAMINIDASE N9, ...
著者Varghese, J.N, Colman, P.M.
登録日1995-03-15
公開日1996-04-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Three-dimensional structure of the complex of 4-guanidino-Neu5Ac2en and influenza virus neuraminidase.
Protein Sci., 4, 1995
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
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
5CAZ
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BU of 5caz by Molmil
Crystallographic structure of apo human rotavirus K8 VP8*
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Outer capsid protein VP4, ...
著者Yu, X, Blanchard, H.
登録日2015-06-30
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Substantial Receptor-induced Structural Rearrangement of Rotavirus VP8*: Potential Implications for Cross-Species Infection.
Chembiochem, 16, 2015
5CB7
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BU of 5cb7 by Molmil
Crystallographic structure of human rotavirus K8 VP8* in complex with A-type HBGA
分子名称: 2-acetamido-2-deoxy-alpha-D-galactopyranose, CHLORIDE ION, GLYCEROL, ...
著者Yu, X, Blanchard, H.
登録日2015-06-30
公開日2016-06-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Substantial Receptor-induced Structural Rearrangement of Rotavirus VP8*: Potential Implications for Cross-Species Infection.
Chembiochem, 16, 2015
5CA6
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BU of 5ca6 by Molmil
Crystallographic structure of apo porcine rotavirus TFR-41 VP8*
分子名称: FORMIC ACID, GLYCEROL, PALMITIC ACID, ...
著者Yu, X, Blanchard, H.
登録日2015-06-29
公開日2016-06-08
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Substantial Receptor-induced Structural Rearrangement of Rotavirus VP8*: Potential Implications for Cross-Species Infection.
Chembiochem, 16, 2015
7XVR
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BU of 7xvr by Molmil
Structure of neuraminidase from influenza B-like viruses derived from spiny eel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase
著者Chai, Y, Gao, F.
登録日2022-05-24
公開日2023-02-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVV
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BU of 7xvv by Molmil
Structure of neuraminidase from influenza B-like viruses derived from spiny eel
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ...
著者Chai, Y, Gao, F.
登録日2022-05-24
公開日2023-05-31
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structural and inhibitor sensitivity analysis of influenza B-like viral neuraminidases derived from Asiatic toad and spiny eel.
Proc.Natl.Acad.Sci.USA, 119, 2022

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