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4D0Z
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BU of 4d0z by Molmil
GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset)
Descriptor: (2R,3R,4R,5R,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D11
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BU of 4d11 by Molmil
GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset)
Descriptor: 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-05-01
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
1PZ5
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BU of 1pz5 by Molmil
Structural basis of peptide-carbohydrate mimicry in an antibody combining site
Descriptor: Heavy chain of Fab (SYA/J6), Light chain of Fab (SYA/J6), Octapeptide (MDWNMHAA)
Authors:Vyas, N.K, Vyas, M.N, Chervenak, M.C, Bundle, D.R, Pinto, B.M, Quiocho, F.A.
Deposit date:2003-07-09
Release date:2003-11-18
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis of peptide-carbohydrate mimicry in an antibody combining site.
Proc.Natl.Acad.Sci.USA, 100, 2003
1M7D
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BU of 1m7d by Molmil
Crystal structure of a Monoclonal Fab Specific for Shigella flexneri Y Lipopolysaccharide complexed with a trisaccharide
Descriptor: alpha-L-rhamnopyranose-(1-3)-alpha-L-Olivopyranose-(1-3)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, heavy chain of the monoclonal antibody Fab SYA/J6, light chain of the monoclonal antibody Fab SYA/J6
Authors:Vyas, N.K, Vyas, M.N, Chervenak, M.C, Johnson, M.A, Pinto, B.M, Bundle, D.R, Quiocho, F.A.
Deposit date:2002-07-19
Release date:2003-07-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular Recognition of Oligosaccharide Epitopes by a Monoclonal Fab Specific for Shigella flexneri Y Lipopolysaccharide: X-ray Structures and Thermodynamics
Biochemistry, 41, 2002
1M71
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BU of 1m71 by Molmil
Crystal structure of a Monoclonal Fab Specific for Shigella Flexneri Y lipopolysaccharide
Descriptor: heavy chain of the monoclonal antibody Fab SYA/J6, light chain of the monoclonal antibody Fab SYA/J6
Authors:Vyas, N.K, Vyas, M.N, Chervenak, M.C, Johnson, M.A, Pinto, B.M, Bundle, D.R, Quiocho, F.A.
Deposit date:2002-07-18
Release date:2003-07-22
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Molecular Recognition of Oligosaccharide Epitopes by a Monoclonal Fab Specific for Shigella flexneri Y Lipopolysaccharide: X-ray Structures and Thermodyanamics
Biochemistry, 41, 2002
1M7I
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BU of 1m7i by Molmil
CRYSTAL STRUCTURE OF A MONOCLONAL FAB SPECIFIC FOR SHIGELLA FLEXNERI Y LIPOPOLYSACCHARIDE COMPLEXED WITH A PENTASACCHARIDE
Descriptor: alpha-L-rhamnopyranose-(1-2)-alpha-L-rhamnopyranose-(1-3)-alpha-L-rhamnopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-methyl 6-deoxy-alpha-L-rhamnopyranoside, heavy chain of the monoclonal antibody Fab SYA/J6, light chain of the monoclonal antibody Fab SYA/J6
Authors:Vyas, N.K, Vyas, M.N, Chervenak, M.C, Johnson, M.A, Pinto, B.M, Bundle, D.R, Quiocho, F.A.
Deposit date:2002-07-19
Release date:2003-07-22
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Molecular Recognition of Oligosaccharide Epitopes by a Monoclonal Fab Specific for Shigella flexneri Y Lipopolysaccharide: X-ray Structures and Thermodynamics
Biochemistry, 41, 2002
4D0T
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BU of 4d0t by Molmil
GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
1TQS
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BU of 1tqs by Molmil
Golgi alpha-Mannosidase II In Complex With Salacinol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
Deposit date:2004-06-18
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
Tetrahedron Asymmetry, 16, 2005
1TQU
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BU of 1tqu by Molmil
Golgi alpha-Mannosidase II In Complex With The Salacinol Analog Ghavamiol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1'-((1,4-DIDEOXY-1,4-IMINO-D-ARABINITOL)-4-N-AMMONIUM)-1'-DEOXY-L-ERYTHRITOL-3'-SULFATE INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
Deposit date:2004-06-18
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
Tetrahedron Asymmetry, 16, 2005
1R33
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BU of 1r33 by Molmil
Golgi alpha-mannosidase II complex with 5-thio-D-mannopyranosylamine
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-thio-alpha-D-mannopyranosylamine, ...
Authors:Kuntz, D.A, Xin, W, Kavelekar, L.M, Rose, D.R, Pinto, B.M.
Deposit date:2003-09-30
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:5-Thio-d-glycopyranosylamines and their amidinium salts as potential transition-state mimics of glycosyl hydrolases: synthesis, enzyme inhibitory activities, X-ray crystallography, and molecular modeling
TETRAHEDRON ASYMMETRY, 16, 2005
1R34
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BU of 1r34 by Molmil
Golgi alpha-mannosidase II complex with 5-thio-D-mannopyranosylamidinium salt
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-[(1Z)-2-phenylethanimidoyl]-5-thio-alpha-D-mannopyranosylamine, ...
Authors:Kuntz, D.A, Xin, W, Kavelekar, L.M, Rose, D.R, Pinto, B.M.
Deposit date:2003-09-30
Release date:2004-11-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:5-Thio-d-glycopyranosylamines and their amidinium salts as potential transition-state mimics of glycosyl hydrolases: synthesis, enzyme inhibitory activities, X-ray crystallography, and molecular modeling
TETRAHEDRON ASYMMETRY, 16, 2005
1TQV
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BU of 1tqv by Molmil
Golgi alpha-Mannosidase II In Complex With Seleno-Salacinol (Blintol)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2S,3S)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
Deposit date:2004-06-18
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
TETRAHEDRON ASYMMETRY, 16, 2005
1TQT
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BU of 1tqt by Molmil
Golgi alpha-Mannosidase II In Complex With A Diastereomer of Salacinol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISULFONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
Deposit date:2004-06-18
Release date:2005-01-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystallographic analysis of the interactions of Drosophila melanogaster Golgi alpha-mannosidase II with the naturally occurring glycomimetic salacinol and its analogues
Tetrahedron Asymmetry, 16, 2005
1TQW
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BU of 1tqw by Molmil
Golgi alpha-Mannosidase II In Complex With A Diastereomer of Seleno-Salacinol
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, 1,4-DIDEOXY-1,4-[[2R,3R)-2,4-DIHYDROXY-3-(SULFOXY)BUTYL]EPISELENONIUMYLIDENE]-D-ARABINITOL INNER SALT, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A, Ghavami, A, Johnston, B.D, Pinto, B.M, Rose, D.R.
Deposit date:2004-06-18
Release date:2005-02-01
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Insights into the Mechanism of Drosophila melanogaster Golgi a-Mannosidase II Through Crystallographic Analysis of the Interactions with Analogues of the Naturally Occurring Glycomimetic Salacinol
TETRAHEDRON ASYMMETRY, 16, 2005
4KS1
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BU of 4ks1 by Molmil
Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-amino-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS4
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Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-{4-[(1R)-1-hydroxypropyl]-1H-1,2,3-triazol-1-yl}-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.495 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS2
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Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-carbamimidamido-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (2.595 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS3
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Influenza Neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-[4-(3-hydroxypropyl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4KS5
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BU of 4ks5 by Molmil
Influenza neuraminidase in complex with antiviral compound (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid
Descriptor: (3S,4R,5R)-4-(acetylamino)-3-[4-(2-hydroxypropan-2-yl)-1H-1,2,3-triazol-1-yl]-5-(pentan-3-yloxy)cyclohex-1-ene-1-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S, Russell, R.J.M.
Deposit date:2013-05-17
Release date:2013-10-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.699 Å)
Cite:Structural basis for a class of nanomolar influenza A neuraminidase inhibitors.
Sci Rep, 3, 2013
4MJV
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BU of 4mjv by Molmil
Influenza Neuraminidase in complex with a novel antiviral compound
Descriptor: (2E,5S,9R,10S)-10-(acetylamino)-2-imino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]dec-6-ene-7-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S.
Deposit date:2013-09-04
Release date:2014-01-15
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor.
Angew.Chem.Int.Ed.Engl., 53, 2014
4MO2
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BU of 4mo2 by Molmil
Crystal Structure of UDP-N-acetylgalactopyranose mutase from Campylobacter jejuni
Descriptor: AMMONIUM ION, DIHYDROFLAVINE-ADENINE DINUCLEOTIDE, FLAVIN-ADENINE DINUCLEOTIDE, ...
Authors:Dalrymple, S.A, Protsko, C, Poulin, M.B, Lowary, T.L, Sanders, D.A.R.
Deposit date:2013-09-11
Release date:2014-01-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Specificity of a UDP-GalNAc Pyranose-Furanose Mutase: A Potential Therapeutic Target for Campylobacter jejuni Infections.
Chembiochem, 15, 2014
4MJU
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BU of 4mju by Molmil
Influenza Neuraminidase in complex with a novel antiviral compound
Descriptor: (5R,9R,10S)-10-(acetylamino)-2-amino-4-oxo-9-(pentan-3-yloxy)-1-thia-3-azaspiro[4.5]deca-2,6-diene-7-carboxylic acid, CALCIUM ION, Neuraminidase
Authors:Kerry, P.S.
Deposit date:2013-09-04
Release date:2014-01-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Serendipitous discovery of a potent influenza virus a neuraminidase inhibitor.
Angew.Chem.Int.Ed.Engl., 53, 2014
2OW6
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BU of 2ow6 by Molmil
Golgi alpha-mannosidase II complex with (1r,5s,6s,7r,8s)-1-thioniabicyclo[4.3.0]nonan-5,7,8-triol chloride
Descriptor: (1R,5S,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-5,7,8-TRIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A.
Deposit date:2007-02-15
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding.
Proteins, 71, 2008
2OW7
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BU of 2ow7 by Molmil
Golgi alpha-mannosidase II complex with (1R,6S,7R,8S)-1-thioniabicyclo[4.3.0]nonan-7,8-diol chloride
Descriptor: (1R,6S,7R,8S)-1-THIONIABICYCLO[4.3.0]NONAN-7,8-DIOL, (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Kuntz, D.A.
Deposit date:2007-02-15
Release date:2008-01-08
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Binding of sulfonium-ion analogues of di-epi-swainsonine and 8-epi-lentiginosine to Drosophila Golgi alpha-mannosidase II: The role of water in inhibitor binding.
Proteins, 71, 2008
3L4V
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Crystal complex of N-terminal Human Maltase-Glucoamylase with kotalanol
Descriptor: (1S,2R,3R,4S)-1-{(1S)-2-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-1-hydroxyethyl}-2,3,4,5-tetrahydroxypentyl sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Sim, L, Rose, D.R.
Deposit date:2009-12-21
Release date:2010-02-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010

 

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