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5HDR
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BU of 5hdr by Molmil
Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
Descriptor: Alpha-L-fucosidase, IMIDAZOLE, SULFATE ION, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2016-01-05
Release date:2016-02-03
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
To Be Published
4J28
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BU of 4j28 by Molmil
Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in complex with a 5-membered iminocyclitol inhibitor
Descriptor: (2S,3S,4R,5S)-2-(1H-benzimidazol-2-yl)-5-methylpyrrolidine-3,4-diol, Alpha-L-fucosidase, GLYCEROL, ...
Authors:Wright, D.W.
Deposit date:2013-02-04
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor.
Bioorg.Med.Chem., 21, 2013
4J27
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BU of 4j27 by Molmil
Crystal structure of a gh29 alpha-l-fucosidase gh29 from bacteroides thetaiotaomicron in a novel crystal form
Descriptor: Alpha-L-fucosidase, GLYCEROL, IMIDAZOLE, ...
Authors:Wright, D.W.
Deposit date:2013-02-04
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Three dimensional structure of a bacterial alpha-l-fucosidase with a 5-membered iminocyclitol inhibitor.
Bioorg.Med.Chem., 21, 2013
5I5R
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BU of 5i5r by Molmil
Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
Descriptor: (2S,3S,4R,5S,2'S,3'S,4'R,5'S)-2,2'-(butane-1,4-diyl)bis(5-methylpyrrolidine-3,4-diol), Alpha-L-fucosidase, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2016-02-15
Release date:2016-03-02
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Will be disclosed later
To Be Published
4PEE
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BU of 4pee by Molmil
Crystal structure of a bacterial fucosidase with inhibitor 1-phenyl-4-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]triazole
Descriptor: (2S,3R,4S,5S)-2-methyl-5-(1-phenyl-1H-1,2,3-triazol-4-yl)pyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J, Behr, J.B.
Deposit date:2014-04-23
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars.
Chembiochem, 16, 2015
4PCT
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BU of 4pct by Molmil
Crystal structure of a bacterial fucosidase with iminocyclitol (2S,3S,4R,5S)-3,4-dihydroxy-2-ethynyl-5-methylpyrrolidine
Descriptor: (2S,3S,4R,5S)-2-ethynyl-5-methylpyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2014-04-16
Release date:2014-07-02
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars.
Chembiochem, 16, 2015
4JFT
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BU of 4jft by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor N-desmethyl-4-epi-(+)-Codonopsinine
Descriptor: (2S,3S,4R,5S)-2-(4-methoxyphenyl)-5-methylpyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4JL2
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BU of 4jl2 by Molmil
Crystal structure of a bacterial fucosidase with a monovalent iminocyclitol inhibitor
Descriptor: (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide, GLYCEROL, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-03-12
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Exploring a Multivalent Approach to alpha-L-Fucosidase Inhibition
EUR.J.ORG.CHEM., 2013, 2013
4JL1
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BU of 4jl1 by Molmil
Crystal structure of a bacterial fucosidase with a multivalent iminocyclitol inhibitor
Descriptor: (3S,4R,5S)-N-benzyl-3,4-dihydroxy-5-methyl-D-prolinamide, GLYCEROL, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-03-12
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Exploring a Multivalent Approach to alpha-L-Fucosidase Inhibition
EUR.J.ORG.CHEM., 2013, 2013
4JFS
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BU of 4jfs by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor 4-epi-(+)-Codonopsinine
Descriptor: (2S,3S,4R,5S)-2-(4-methoxyphenyl)-1,5-dimethylpyrrolidine-3,4-diol, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, GLYCEROL, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4JFU
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BU of 4jfu by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor
Descriptor: (2S,3R,4S,5S)-2-methyl-5-(4-methylphenyl)pyrrolidine-3,4-diol, GLYCEROL, IMIDAZOLE, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4JFV
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BU of 4jfv by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(methylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol
Descriptor: (3alpha)-[({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)methyl]ferrocene, IMIDAZOLE, SULFATE ION, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4JFW
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BU of 4jfw by Molmil
Crystal structure of a bacterial fucosidase with iminosugar inhibitor (2S,3S,4R,5S)-2-[N-(propylferrocene)]aminoethyl-5-methylpyrrolidine-3,4-diol
Descriptor: (3alpha)-[3-({2-[(2S,3S,4R,5S)-3,4-dihydroxy-5-methylpyrrolidin-2-yl]ethyl}amino)propyl]ferrocene, IMIDAZOLE, SULFATE ION, ...
Authors:Wright, D.W, Davies, G.J.
Deposit date:2013-02-28
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:alpha-L-fucosidase inhibition by pyrrolidine-ferrocene hybrids: rationalization of ligand-binding properties by structural studies.
Chemistry, 19, 2013
4WSJ
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BU of 4wsj by Molmil
Crystal structure of a bacterial fucodiase in complex with 1-((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)ethan-1-one
Descriptor: Alpha-L-fucosidase, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]acetamide, SULFATE ION
Authors:Davies, G.J, Wright, D.W.
Deposit date:2014-10-28
Release date:2014-11-05
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
4PCS
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BU of 4pcs by Molmil
Crystal structure of a bacterial fucosidase with iminosugar (2S,3S,4R,5S)-3,4-dihydroxy-2-[2'-phenyl]ethynyl-5-methylpyrrolidine
Descriptor: (2S,3R,4S,5S)-2-methyl-5-(phenylethynyl)pyrrolidine-3,4-diol, Alpha-L-fucosidase, IMIDAZOLE, ...
Authors:Davies, G.J, Wright, D.W, Behr, J.B.
Deposit date:2014-04-16
Release date:2014-07-09
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Exploiting the Hydrophobic Terrain in Fucosidases with Aryl-Substituted Pyrrolidine Iminosugars.
Chembiochem, 16, 2015
5CKQ
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BU of 5ckq by Molmil
CUB1-EGF-CUB2 domains of rat MASP-1
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine protease 1, ...
Authors:Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J.
Deposit date:2015-07-15
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (3.704 Å)
Cite:Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
5CIS
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BU of 5cis by Molmil
The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine peptidase 2
Authors:Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J.
Deposit date:2015-07-13
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.58 Å)
Cite:Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
5CKM
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BU of 5ckm by Molmil
The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Mannan-binding lectin serine peptidase 2
Authors:Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J.
Deposit date:2015-07-15
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.73 Å)
Cite:Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
5CKN
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BU of 5ckn by Molmil
The CUB1-EGF-CUB2 domains of rat MBL-associated serine protease-2 (MASP-2) bound to Ca2+
Descriptor: CALCIUM ION, Mannan-binding lectin serine peptidase 2
Authors:Nan, R, Furze, C.M, Wright, D.W, Gor, J, Wallis, R, Perkins, S.J.
Deposit date:2015-07-15
Release date:2017-01-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Flexibility in Mannan-Binding Lectin-Associated Serine Proteases-1 and -2 Provides Insight on Lectin Pathway Activation.
Structure, 25, 2017
4WSK
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BU of 4wsk by Molmil
Crystal structure of a bacterial fucosidase with phenyl((1R,2R,3R,4R,5R,6R)-2,3,4-trihydroxy-5-methyl-7-azabicyclo[4.1.0]heptan-7-yl)methanone
Descriptor: Alpha-L-fucosidase, IMIDAZOLE, N-[(1S,2R,3R,4S,5R)-3,4,5-trihydroxy-2-methylcyclohexyl]benzamide, ...
Authors:Davies, G.J.
Deposit date:2014-10-28
Release date:2014-11-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:In vitroandin vivocomparative and competitive activity-based protein profiling of GH29 alpha-l-fucosidases.
Chem Sci, 6, 2015
3LGM
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BU of 3lgm by Molmil
Crystal structure of reduced IsdI in complex with heme
Descriptor: Heme-degrading monooxygenase isdI, MAGNESIUM ION, PROTOPORPHYRIN IX CONTAINING FE
Authors:Ukpabi, G.N, Murphy, M.E.P.
Deposit date:2010-01-20
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.88 Å)
Cite:The IsdG-family of haem oxygenases degrades haem to a novel chromophore
Mol.Microbiol., 75, 2010
2N2X
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BU of 2n2x by Molmil
Solution structure of [GlyB24,B27-B29 triazole cross-linked]-insulin analogue at pH 1.9
Descriptor: Insulin A chain, Insulin B chain
Authors:Veverka, V, Hexnerova, R, Jiracek, J.
Deposit date:2015-05-15
Release date:2016-02-03
Last modified:2023-12-27
Method:SOLUTION NMR
Cite:Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
2N2W
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BU of 2n2w by Molmil
Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 8.0
Descriptor: Insulin A chain, Insulin B chain
Authors:Veverka, V, Hexnerova, R, Jiracek, J.
Deposit date:2015-05-15
Release date:2016-02-03
Method:SOLUTION NMR
Cite:Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
2N2V
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BU of 2n2v by Molmil
Solution structure of [B26-B29 triazole cross-linked]-insulin analogue at pH 1.9
Descriptor: Insulin A chain, Insulin B chain
Authors:Veverka, V, Hexnerova, R, Jiracek, J.
Deposit date:2015-05-15
Release date:2016-02-03
Method:SOLUTION NMR
Cite:Rational steering of insulin binding specificity by intra-chain chemical crosslinking.
Sci Rep, 6, 2016
3LGN
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BU of 3lgn by Molmil
Crystal structure of IsdI in complex with heme
Descriptor: Heme-degrading monooxygenase isdI, MAGNESIUM ION, OXYGEN MOLECULE, ...
Authors:Ukpabi, G.N, Murphy, M.E.P.
Deposit date:2010-01-20
Release date:2010-03-09
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:The IsdG-family of haem oxygenases degrades haem to a novel chromophore
Mol.Microbiol., 75, 2010

 

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