2VO5
 
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-02-08 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2VRJ
 | | Beta-glucosidase from Thermotoga maritima in complex with N-octyl-5- deoxy-6-oxa-N-(thio)carbamoylcalystegine | | Descriptor: | (1S,2R,3S,4R,5R)-2,3,4-trihydroxy-N-octyl-6-oxa-8-azabicyclo[3.2.1]octane-8-carbothioamide, ACETATE ION, BETA-GLUCOSIDASE A, ... | | Authors: | Aguilar, M, Gloster, T.M, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Llebaria, A, Casas, J, Egido-Gabas, M, Garcia Fernandez, J.M. | | Deposit date: | 2008-04-09 | | Release date: | 2008-10-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular Basis for Beta-Glucosidase Inhibition by Ring-Modified Calystegine Analogues.
Chembiochem, 9, 2008
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2WC4
 | | Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-thia-(+)-castanospermine | | Descriptor: | (3Z,5S,6R,7S,8R,8aS)-3-(octylimino)hexahydro[1,3]thiazolo[3,4-a]pyridine-5,6,7,8-tetrol, 1,2-ETHANEDIOL, ACETATE ION, ... | | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | | Deposit date: | 2009-03-08 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring.
Org.Biomol.Chem., 7, 2009
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2W1W
 | | Native structure of a family 35 carbohydrate binding module from Clostridium thermocellum | | Descriptor: | CALCIUM ION, GLYCEROL, LIPOLYTIC ENZYME, ... | | Authors: | Gloster, T.M, Davies, G.J, Correia, M, Prates, J, Fontes, C, Gilbert, H.J. | | Deposit date: | 2008-10-21 | | Release date: | 2009-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2V3G
 | | Structure of a family 26 lichenase in complex with noeuromycin | | Descriptor: | (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, ENDOGLUCANASE H, beta-D-glucopyranose | | Authors: | Meloncelli, P.J, Gloster, T.M, Money, V.A, Tarling, C.A, Davies, G.J, Withers, S.G, Stick, R.V. | | Deposit date: | 2007-06-18 | | Release date: | 2007-09-18 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | D-Glucosylated Derivatives of Isofagomine and Noeuromycin and Their Potential as Inhibitors of Beta-Glycoside Hydrolases
To be Published
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2W3J
 | | Structure of a family 35 carbohydrate binding module from an environmental isolate | | Descriptor: | CALCIUM ION, CARBOHYDRATE BINDING MODULE | | Authors: | Montainer, C, Flint, J, Gloster, T.M, Turkenburg, J.P, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2008-11-12 | | Release date: | 2009-01-20 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2W46
 | | CBM35 from Cellvibrio japonicus Abf62 | | Descriptor: | CALCIUM ION, ESTERASE D, SODIUM ION | | Authors: | Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | | Deposit date: | 2008-11-21 | | Release date: | 2009-01-27 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2W9X
 | | The active site of a carbohydrate esterase displays divergent catalytic and non-catalytic binding functions | | Descriptor: | GLYCEROL, PUTATIVE ACETYL XYLAN ESTERASE | | Authors: | Montanier, C, Money, V.A, Pires, V, Flint, J.E, Benedita, P.A, Goyal, A, Prates, J.A, Izumi, A, Stalbrand, H, Morland, C, Cartmell, A, Kolenova, K, Topakas, E, Dobson, E, Bolam, D.N, Davies, G.J, Fontes, C.M, Gilbert, H.J. | | Deposit date: | 2009-01-29 | | Release date: | 2009-03-24 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions.
Plos Biol., 7, 2009
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2WLZ
 | | Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline. | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | | Authors: | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | | Deposit date: | 2009-06-29 | | Release date: | 2010-03-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines.
Angew.Chem.Int.Ed.Engl., 49, 2010
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2WHL
 | | Understanding how diverse mannanases recognise heterogeneous substrates | | Descriptor: | ACETATE ION, BETA-MANNANASE, beta-D-mannopyranose-(1-4)-beta-D-mannopyranose-(1-4)-alpha-D-mannopyranose | | Authors: | Tailford, L.E, Ducros, V.M.A, Flint, J.E, Roberts, S.M, Morland, C, Zechel, D.L, Smith, N, Bjornvad, M.E, Borchert, T.V, Wilson, K.S, Davies, G.J, Gilbert, H.J. | | Deposit date: | 2009-05-05 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
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2WVV
 | | Crystal structure of an alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ALPHA-L-FUCOSIDASE, GLYCEROL, ... | | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | | Deposit date: | 2009-10-20 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
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2WVS
 | | Crystal structure of an alpha-L-fucosidase GH29 trapped covalent intermediate from Bacteroides thetaiotaomicron in complex with 2- fluoro-fucosyl fluoride using an E288Q mutant | | Descriptor: | 2-deoxy-2-fluoro-beta-L-fucopyranose, ALPHA-L-FUCOSIDASE, SULFATE ION | | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | | Deposit date: | 2009-10-20 | | Release date: | 2010-02-02 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
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2WZS
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Mannoimidazole | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, CALCIUM ION, GLYCEROL, ... | | Authors: | Zhu, Y, Suits, M.D.L, Thompson, A, Chavan, S, Dinev, Z, Dumon, C, Smith, N, Moremen, K.W, Xiang, Y, Siriwardena, A, Williams, S.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-12-02 | | Release date: | 2009-12-29 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2VMF
 | | Structural and biochemical evidence for a boat-like transition state in beta-mannosidases | | Descriptor: | (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, BETA-MANNOSIDASE, ... | | Authors: | Tailford, L.E, Offen, W.A, Smith, N.L, Dumon, C, Moreland, C, Gratien, J, Heck, M.P, Stick, R.V, Bleriot, Y, Vasella, A, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2008-01-25 | | Release date: | 2008-04-01 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
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2VN5
 | | The Clostridium cellulolyticum dockerin displays a dual binding mode for its cohesin partner | | Descriptor: | CALCIUM ION, ENDOGLUCANASE A, SCAFFOLDING PROTEIN | | Authors: | Pinheiro, B.A, Prates, J.A.M, Proctor, M.R, Gilbert, H.J, Davies, G.J, Money, V.A, Martinez-Fleites, C, Bayer, E.A, Fontes, C.M.G.A, Fierobe, H.P. | | Deposit date: | 2008-01-31 | | Release date: | 2008-05-20 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | The Clostridium Cellulolyticum Dockerin Displays a Dual Binding Mode for its Cohesin Partner.
J.Biol.Chem., 283, 2008
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2WW3
 | | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with thiomannobioside | | Descriptor: | CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE, ... | | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A.J, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-10-21 | | Release date: | 2010-01-26 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Mechanistic Insights Into a Ca(2+)-Dependent Family of Alpha-Mannosidases in a Human Gut Symbiont.
Nat.Chem.Biol., 6, 2010
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2W47
 | | Clostridium thermocellum CBM35 in complex with delta-4,5- anhydrogalacturonic acid | | Descriptor: | 4-deoxy-beta-L-threo-hex-4-enopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid, CALCIUM ION, LIPOLYTIC ENZYME, ... | | Authors: | Montainer, C, Lammerts van Bueren, A, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | | Deposit date: | 2008-11-21 | | Release date: | 2009-01-27 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2WBG
 | | Structure of family 1 beta-glucosidase from Thermotoga maritima in complex with 3-imino-2-oxa-(+)-castanospermine | | Descriptor: | (3Z,5S,6R,7S,8R,8aR)-3-(octylimino)hexahydro[1,3]oxazolo[3,4-a]pyridine-5,6,7,8-tetrol, ACETATE ION, BETA-GLUCOSIDASE A | | Authors: | Aguilar, M, Gloster, T.M, Turkenburg, J.P, Garcia-Moreno, M.I, Ortiz Mellet, C, Davies, G.J, Garcia Fernandez, J.M. | | Deposit date: | 2009-02-27 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Glycosidase Inhibition by Ring-Modified Castanospermine Analogues: Tackling Enzyme Selectivity by Inhibitor Tailoring.
Org.Biomol.Chem., 7, 2009
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2W87
 | | Xyl-CBM35 in complex with glucuronic acid containing disaccharide. | | Descriptor: | CALCIUM ION, ESTERASE D, UNKNOWN LIGAND, ... | | Authors: | Montainer, C, Bueren, A.L.v, Dumon, C, Flint, J.E, Correia, M.A, Prates, J.A, Firbank, S.J, Lewis, R.J, Grondin, G.G, Ghinet, M.G, Gloster, T.M, Herve, C, Knox, J.P, Talbot, B.G, Turkenburg, J.P, Kerovuo, J, Brzezinski, R, Fontes, C.M.G.A, Davies, G.J, Boraston, A.B, Gilbert, H.J. | | Deposit date: | 2009-01-14 | | Release date: | 2009-01-27 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Evidence that Family 35 Carbohydrate Binding Modules Display Conserved Specificity But Divergent Function.
Proc.Natl.Acad.Sci.USA, 106, 2009
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2WBK
 | | Structure of the Michaelis complex of beta-mannosidase, Man2A, provides insight into the conformational itinerary of mannoside hydrolysis | | Descriptor: | 1,2-ETHANEDIOL, 2,4-dinitrophenyl 2-deoxy-2-fluoro-beta-D-mannopyranoside, BETA-MANNOSIDASE, ... | | Authors: | Offen, W.A, Zechel, D.L, Withers, S.G, Gilbert, H.J, Davies, G.J. | | Deposit date: | 2009-03-02 | | Release date: | 2009-03-17 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure of the Michaelis Complex of Beta-Mannosidase, Man2A, Provides Insight Into the Conformational Itinerary of Mannoside Hydrolysis.
Cell(Cambridge,Mass.), 18, 2009
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2W67
 | | BtGH84 in complex with FMA34 | | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2008-12-17 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
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2WHM
 | | Cellvibrio japonicus Man26A E121A and E320G double mutant in complex with mannobiose | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ENDO-1,4-BETA MANNANASE, MAN26A, ... | | Authors: | Durcos, V.M.A, Davies, G.J, Flint, J.E, Gilbert, H.J. | | Deposit date: | 2009-05-05 | | Release date: | 2009-05-26 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Understanding How Diverse -Mannanases Recognise Heterogeneous Substrates.
Biochemistry, 48, 2009
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2WLY
 | | Chitinase A from Serratia marcescens ATCC990 in complex with Chitotrio-thiazoline. | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-deoxy-2-(ethanethioylamino)-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | | Authors: | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | | Deposit date: | 2009-06-29 | | Release date: | 2010-03-16 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Chitinase inhibition by chitobiose and chitotriose thiazolines.
Angew. Chem. Int. Ed. Engl., 49, 2010
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2WVU
 | | Crystal structure of a Michaelis complex of alpha-L-fucosidase GH29 from Bacteroides thetaiotaomicron with the synthetic substrate 4- nitrophenyl-alpha-L-fucose | | Descriptor: | 4-nitrophenyl 6-deoxy-alpha-L-galactopyranoside, ALPHA-L-FUCOSIDASE, SULFATE ION | | Authors: | Lammerts van Bueren, A, Ardevol, A, Fayers-Kerr, J, Luo, B, Zhang, Y, Sollogoub, M, Bleriot, Y, Rovira, C, Davies, G.J. | | Deposit date: | 2009-10-20 | | Release date: | 2010-02-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
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2WM0
 | | Chitinase A from Serratia marcescens ATCC990 in complex with Chitobio- thiazoline thioamide. | | Descriptor: | 1,4-DIETHYLENE DIOXIDE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ... | | Authors: | Taylor, E.J, Dennis, R.J, Macdonald, J.M, Tarling, C.A, Knapp, S, Withers, S.G, Davies, G.J. | | Deposit date: | 2009-06-29 | | Release date: | 2010-03-16 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Chitinase Inhibition by Chitobiose and Chitotriose Thiazolines.
Angew.Chem.Int.Ed.Engl., 49, 2010
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