6G1I
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g1i by Molmil](/molmil-images/mine/6g1i) | GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and fructosylated cellopentaose | Descriptor: | Glycosyl Hydrolase, MALONIC ACID, MANGANESE (II) ION, ... | Authors: | Urresti, S, Davies, G.J, Walton, P.H. | Deposit date: | 2018-03-21 | Release date: | 2018-08-15 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (0.99 Å) | Cite: | Structural studies of the unusual metal-ion site of the GH124 endoglucanase from Ruminiclostridium thermocellum. Acta Crystallogr F Struct Biol Commun, 74, 2018
|
|
6GXV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gxv by Molmil](/molmil-images/mine/6gxv) | Amylase in complex with acarbose | Descriptor: | 4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose-(1-4)-4,6-dideoxy-4-{[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino}-alpha-D-glucopyranose-(1-4)-alpha-D-glucopyranose, A-amylase, CALCIUM ION, ... | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | Deposit date: | 2018-06-27 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.07 Å) | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6GYA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gya by Molmil](/molmil-images/mine/6gya) | Amylase in complex with branched ligand | Descriptor: | A-amylase, CALCIUM ION, SODIUM ION, ... | Authors: | Agirre, J, Moroz, O, Meier, S, Brask, J, Munch, A, Hoff, T, Andersen, C, Wilson, K.S, Davies, G.J. | Deposit date: | 2018-06-28 | Release date: | 2019-01-23 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | The structure of the AliC GH13 alpha-amylase from Alicyclobacillus sp. reveals the accommodation of starch branching points in the alpha-amylase family. Acta Crystallogr D Struct Biol, 75, 2019
|
|
6G21
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g21 by Molmil](/molmil-images/mine/6g21) | Crystal structure of an esterase from Aspergillus oryzae | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(4-HYDROXY-3-METHOXYPHENYL)-2-PROPENOIC ACID, ... | Authors: | Moroz, O.V, Blagova, E, Davies, G.J, Wilson, K.S. | Deposit date: | 2018-03-22 | Release date: | 2018-05-23 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of an esterase from Aspergillus oryzae To Be Published
|
|
6G1G
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g1g by Molmil](/molmil-images/mine/6g1g) | |
6GDT
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6gdt by Molmil](/molmil-images/mine/6gdt) | |
6G0N
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 6g0n by Molmil](/molmil-images/mine/6g0n) | Crystal Structure of a GH8 catalytic mutant xylohexaose complex xylanase from Teredinibacter turnerae | Descriptor: | GLYCEROL, Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose, ... | Authors: | Fowler, C.A, Davies, G.J, Walton, P.H. | Deposit date: | 2018-03-19 | Release date: | 2018-10-10 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae. Acta Crystallogr D Struct Biol, 74, 2018
|
|
2JAL
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jal by Molmil](/molmil-images/mine/2jal) | Beta-glucosidase from Thermotoga maritima in complex with cyclophellitol | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, ACETATE ION, BETA-GLUCOSIDASE A, ... | Authors: | Gloster, T.M, Madsen, R, Davies, G.J. | Deposit date: | 2006-11-29 | Release date: | 2007-01-03 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Structural Basis for Cyclophellitol Inhibition of a Beta-Glucosidase. Org.Biomol.Chem., 5, 2007
|
|
2JG0
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jg0 by Molmil](/molmil-images/mine/2jg0) | Family 37 trehalase from Escherichia coli in complex with 1- thiatrehazolin | Descriptor: | N-[(3aS,4R,5S,6S,6aS)-4,5,6-trihydroxy-4-(hydroxymethyl)-4,5,6,6a-tetrahydro-3aH-cyclopenta[d][1,3]thiazol-2-yl]-alpha- D-glucopyranosylamine, PERIPLASMIC TREHALASE | Authors: | Gibson, R.P, Gloster, T.M, Roberts, S, Warren, R.A.J, Storch De Gracia, I, Garcia, A, Chiara, J.L, Davies, G.J. | Deposit date: | 2007-02-07 | Release date: | 2007-02-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Molecular Basis for Trehalase Inhibition Revealed by the Structure of Trehalase in Complex with Potent Inhibitors. Angew.Chem.Int.Ed.Engl., 46, 2007
|
|
2JJB
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jjb by Molmil](/molmil-images/mine/2jjb) | Family 37 trehalase from Escherichia coli in complex with casuarine-6- O-alpha-glucopyranose | Descriptor: | 1,2-ETHANEDIOL, CASUARINE, PERIPLASMIC TREHALASE, ... | Authors: | Gloster, T.M, Roberts, S, Davies, G.J, Cardona, F, Parmeggiani, C, Bonaccini, C, Gratteri, P, Sim, L, Rose, D.R, Goti, A. | Deposit date: | 2008-03-28 | Release date: | 2009-01-13 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Total Syntheses of Casuarine and its 6-O-Alpha-Glucoside: Complementary Inhibition Towards Glycoside Hydrolases of the Gh31 and Gh37 Families. Chemistry, 15, 2009
|
|
2JKP
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jkp by Molmil](/molmil-images/mine/2jkp) | Structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron in complex with castanospermine | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE (ALPHA-GLUCOSIDASE SUSB), CALCIUM ION, ... | Authors: | Gloster, T.M, Turkenburg, J.P, Potts, J.R, Henrissat, B, Davies, G.J. | Deposit date: | 2008-08-29 | Release date: | 2008-09-30 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Divergence of Catalytic Mechanism within a Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism by Human Gut Flora. Chem.Biol., 15, 2008
|
|
2JJM
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jjm by Molmil](/molmil-images/mine/2jjm) | |
2JKA
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jka by Molmil](/molmil-images/mine/2jka) | Native structure of a family 97 alpha-glucosidase from Bacteroides thetaiotaomicron | Descriptor: | 1,2-ETHANEDIOL, ALPHA-GLUCOSIDASE (ALPHA-GLUCOSIDASE SUSB), CALCIUM ION | Authors: | Gloster, T.M, Turkenburg, J.P, Potts, J.R, Henrissat, B, Davies, G.J. | Deposit date: | 2008-08-23 | Release date: | 2008-09-30 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Divergence of Catalytic Mechanism within a Glycosidase Family Provides Insight Into Evolution of Carbohydrate Metabolism by Human Gut Flora. Chem.Biol., 15, 2008
|
|
2JEN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2jen by Molmil](/molmil-images/mine/2jen) | Family 12 xyloglucanase from Bacillus licheniformis in complex with ligand | Descriptor: | 1,4-DIETHYLENE DIOXIDE, ENDO-BETA-1,4-GLUCANASE, GLYCEROL, ... | Authors: | Gloster, T.M, Ibatullin, F.M, Macauley, K, Eklof, J.M, Roberts, S, Turkenburg, J.P, Bjornvad, M.E, Jorgensen, P.L, Danielsen, S, Johansen, K.S, Borchert, T.V, Wilson, K.S, Brumer, H, Davies, G.J. | Deposit date: | 2007-01-18 | Release date: | 2007-03-20 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Characterization and Three-Dimensional Structures of Two Distinct Bacterial Xyloglucanases from Families Gh5 and Gh12. J.Biol.Chem., 282, 2007
|
|
2VN5
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2vn5 by Molmil](/molmil-images/mine/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
|
|
2W9X
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2w9x by Molmil](/molmil-images/mine/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: | 2011-07-13 | 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
|
|
2WAO
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wao by Molmil](/molmil-images/mine/2wao) | Structure of a family two carbohydrate esterase from Clostridium thermocellum in complex with cellohexaose | Descriptor: | ENDOGLUCANASE E, FORMIC ACID, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose | Authors: | Montainer, C, Money, V.A, Pires, V.M.R, Flint, J.E, Pinheiro, B.A, Goyal, A, Prates, J.A.M, Izumi, A, Stalbrand, H, Kolenova, K, Topakas, E, Dodson, E.J, Bolam, D.N, Davies, G.J, Fontes, C.M.G.A, Gilbert, H.J. | Deposit date: | 2009-02-10 | Release date: | 2009-10-06 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | The Active Site of a Carbohydrate Esterase Displays Divergent Catalytic and Noncatalytic Binding Functions. Plos Biol., 7, 2009
|
|
2WVV
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wvv by Molmil](/molmil-images/mine/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
|
|
2WVS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wvs by Molmil](/molmil-images/mine/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
|
|
2WZS
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wzs by Molmil](/molmil-images/mine/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
|
|
2WW3
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ww3 by Molmil](/molmil-images/mine/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
|
|
2WW1
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2ww1 by Molmil](/molmil-images/mine/2ww1) | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 in complex with Thiomannobioside | Descriptor: | PUTATIVE ALPHA-1,2-MANNOSIDASE, alpha-D-mannopyranose-(1-2)-methyl 2-thio-alpha-D-mannopyranoside | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | Deposit date: | 2009-10-21 | Release date: | 2009-12-29 | Last modified: | 2023-12-20 | 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
|
|
2WYN
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wyn by Molmil](/molmil-images/mine/2wyn) | Structure of family 37 trehalase from Escherichia coli in complex with a casuarine-6-O-a-D-glucoside analogue | Descriptor: | (1R,2R,3R,6R,7R,7AR)-3,7-BIS(HYDROXYMETHYL)HEXAHYDRO-1H-PYRROLIZINE-1,2,6-TRIOL, CALCIUM ION, PERIPLASMIC TREHALASE, ... | Authors: | Gloster, T.M, Roberts, S.M, Davies, G.J, Cardona, F, Goti, A, Parmeggiani, C, Parenti, P, Fusi, P, Forcella, M, Cipolla, L. | Deposit date: | 2009-11-17 | Release date: | 2010-09-29 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Casuarine-6-O-alpha-D-glucoside and its analogues are tight binding inhibitors of insect and bacterial trehalases. Chem.Commun.(Camb.), 46, 2010
|
|
2WVX
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2wvx by Molmil](/molmil-images/mine/2wvx) | Structure of the Family GH92 Inverting Mannosidase BT3990 from Bacteroides thetaiotaomicron VPI-5482 | Descriptor: | CALCIUM ION, GLYCEROL, PUTATIVE ALPHA-1,2-MANNOSIDASE | Authors: | Suits, M.D.L, Zhu, Y, Thompson, A, Gilbert, H.J, Davies, G.J. | Deposit date: | 2009-10-21 | Release date: | 2009-11-03 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Mechanistic Insights Into a Ca2+-Dependent Family of A-Mannosidases in a Human Gut Symbiont. Nat.Chem.Biol., 6, 2010
|
|
2X0H
![Download](/newweb/media/icons/dl.png) ![Visualize](/newweb/media/icons/hoh_3d.png)
![BU of 2x0h by Molmil](/molmil-images/mine/2x0h) | BtGH84 Michaelis complex | Descriptor: | 3,4-difluorophenyl 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-glucopyranoside, CALCIUM ION, GLYCEROL, ... | Authors: | He, Y, Davies, G.J. | Deposit date: | 2009-12-08 | Release date: | 2010-01-26 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.21 Å) | Cite: | Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase J.Am.Chem.Soc., 132, 2010
|
|