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1H6Y
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BU of 1h6y by Molmil
The role of conserved amino acids in the cleft of the C-terminal family 22 carbohydrate binding module of Clostridium thermocellum Xyn10B in ligand binding
Descriptor: CALCIUM ION, ENDO-1,4-BETA-XYLANASE Y
Authors:Xie, H, Bolam, D.N, Charnock, S.J, Davies, G.J, Williamson, M.P, Simpson, P.J, Fontes, C.M.G.A, Ferreira, L.M.A, Gilbert, H.J.
Deposit date:2001-06-29
Release date:2002-06-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Clostridium Thermocellum Xyn10B Carbohydrate-Binding Module 22-2: The Role of Conserved Amino Acids in Ligand Binding
Biochemistry, 40, 2001
6F1J
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BU of 6f1j by Molmil
Structure of a Talaromyces pinophilus GH62 Arabinofuranosidase in complex with AraDNJ at 1.25A resolution
Descriptor: 1,4-DIDEOXY-1,4-IMINO-L-ARABINITOL, CALCIUM ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Moroz, O.V, Sobala, L, Blagova, E, Coyle, T, Morkeberg Krogh, K.B.R, Wei, P, Stubbs, K, Wilson, K.S, Davies, G.J.
Deposit date:2017-11-22
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Structure of a Talaromyces pinophilus GH62 arabinofuranosidase in complex with AraDNJ at 1.25 angstrom resolution.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6F90
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BU of 6f90 by Molmil
Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI)
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Alpha-1,2-mannosidase, putative, ...
Authors:Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J.
Deposit date:2017-12-13
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
6FHV
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BU of 6fhv by Molmil
Crystal structure of Penicillium oxalicum Glucoamylase
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Roth, C, Moroz, O.V, Ariza, A, Friis, E.P, Davies, G.J, Wilson, K.S.
Deposit date:2018-01-15
Release date:2018-05-09
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains.
Acta Crystallogr D Struct Biol, 74, 2018
6FAM
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BU of 6fam by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-2-aminodeoxymannojirimycin
Descriptor: ACETATE ION, Glycosyl hydrolase family 71, alpha-D-mannopyranose, ...
Authors:Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J.
Deposit date:2017-12-15
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases.
Chemistry, 24, 2018
6F92
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BU of 6f92 by Molmil
Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron in complex with Mannoimidazole (ManI)
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J.
Deposit date:2017-12-13
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
6FAR
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BU of 6far by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-mannoimidazole
Descriptor: (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, Glycosyl hydrolase family 71, alpha-D-mannopyranose
Authors:Fernandes, P.Z, Petricevic, M, Sobala, L.F, Davies, G.J, Williams, S.J.
Deposit date:2017-12-16
Release date:2018-03-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Exploration of Strategies for Mechanism-Based Inhibitor Design for Family GH99 endo-alpha-1,2-Mannanases.
Chemistry, 24, 2018
6F8Z
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BU of 6f8z by Molmil
Structure of the family GH92 alpha-mannosidase BT3130 from Bacteroides thetaiotaomicron
Descriptor: 1,2-ETHANEDIOL, Alpha-1,2-mannosidase, putative, ...
Authors:Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J.
Deposit date:2017-12-13
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
6FHN
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BU of 6fhn by Molmil
Structural dynamics and catalytic properties of a multi-modular xanthanase (Pt derivative)
Descriptor: 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S.
Deposit date:2018-01-15
Release date:2018-08-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase
Acs Catalysis, 2018
6F91
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BU of 6f91 by Molmil
Structure of the family GH92 alpha-mannosidase BT3965 from Bacteroides thetaiotaomicron
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, CHLORIDE ION, ...
Authors:Thompson, A.J, Spears, R.J, Zhu, Y, Suits, M.D.L, Williams, S.J, Gilbert, H.J, Davies, G.J.
Deposit date:2017-12-13
Release date:2018-05-02
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Bacteroides thetaiotaomicron generates diverse alpha-mannosidase activities through subtle evolution of a distal substrate-binding motif.
Acta Crystallogr D Struct Biol, 74, 2018
6FHW
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BU of 6fhw by Molmil
Structure of Hormoconis resinae Glucoamylase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 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)-alpha-D-glucopyranose, ...
Authors:Roth, C, Moroz, O.V, Ariza, A, Friis, E.P, Davies, G.J, Wilson, K.S.
Deposit date:2018-01-15
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.6 Å)
Cite:Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains.
Acta Crystallogr D Struct Biol, 74, 2018
6FHJ
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BU of 6fhj by Molmil
Structural dynamics and catalytic properties of a multi-modular xanthanase, native.
Descriptor: CALCIUM ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ...
Authors:Moroz, O.V, Jensen, P.F, McDonald, S.P, McGregor, N, Blagova, E, Comamala, G, Segura, D.R, Anderson, L, Vasu, S.M, Rao, V.P, Giger, L, Monrad, R.N, Svendsen, A, Nielsen, J.E, Henrissat, B, Davies, G.J, Brumer, H, Rand, K, Wilson, K.S.
Deposit date:2018-01-14
Release date:2018-08-29
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.04 Å)
Cite:Structural Dynamics and Catalytic Properties of a Multimodular Xanthanase
Acs Catalysis, 2018
6G09
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BU of 6g09 by Molmil
Crystal Structure of a GH8 xylobiose complex from Teredinibacter turnerae
Descriptor: 1,2-ETHANEDIOL, Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Fowler, C.A, Davies, G.J, Walton, P.H.
Deposit date:2018-03-16
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
6G1I
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BU of 6g1i by Molmil
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
6G0B
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BU of 6g0b by Molmil
Crystal Structure of a GH8 xylotriose complex from Teredinibacter Turnerae
Descriptor: Glycoside hydrolase family 8 domain protein, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose
Authors:Fowler, C.A, Davies, G.J, Walton, P.H.
Deposit date:2018-03-16
Release date:2018-10-10
Last modified:2024-01-17
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
6G00
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BU of 6g00 by Molmil
Crystal Structure of a GH8 xylanase from Teredinibacter turnerae
Descriptor: 1,2-ETHANEDIOL, Glycoside hydrolase family 8 domain protein, SODIUM ION
Authors:Fowler, C.A, Davies, G.J, Walton, P.H.
Deposit date:2018-03-15
Release date:2018-10-10
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure and function of a glycoside hydrolase family 8 endoxylanase from Teredinibacter turnerae.
Acta Crystallogr D Struct Biol, 74, 2018
6FRV
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BU of 6frv by Molmil
Structure of the catalytic domain of Aspergillus niger Glucoamylase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Glucoamylase, ...
Authors:Roth, C, Moroz, O.V, Ariza, A, Friis, E.P, Davies, G.J, Wilson, K.S.
Deposit date:2018-02-16
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural insight into industrially relevant glucoamylases: flexible positions of starch-binding domains.
Acta Crystallogr D Struct Biol, 74, 2018
6G21
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BU of 6g21 by Molmil
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
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BU of 6g1g by Molmil
GH124 cellulase from Ruminiclostridium thermocellum in complex with Mn and cellotriose
Descriptor: Glycosyl Hydrolase, MANGANESE (II) ION, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose
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 (1.04 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
6G0N
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BU of 6g0n by Molmil
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
6GDT
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BU of 6gdt by Molmil
Crystal structure of exo-glucosidase/glucosaminidase VC0615 from Vibrio Cholerae
Descriptor: 1,2-ETHANEDIOL, Endoglucanase-related protein
Authors:Wu, L, Davies, G.J.
Deposit date:2018-04-24
Release date:2018-08-15
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.17 Å)
Cite:Structure of the GH9 glucosidase/glucosaminidase from Vibrio cholerae.
Acta Crystallogr F Struct Biol Commun, 74, 2018
6GXV
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BU of 6gxv by Molmil
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
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BU of 6gya by Molmil
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
6HMH
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BU of 6hmh by Molmil
Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with alpha-Glc-1,3-(1,2-anhydro-carba-glucosamine) and alpha-1,2-mannobiose
Descriptor: (1~{S},2~{R},3~{R},4~{R},6~{S})-4-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3-diol, ACETATE ION, Glycosyl hydrolase family 71, ...
Authors:Sobala, L.F, Lu, D, Zhu, S, Bernardo-Seisdedos, G, Millet, O, Zhang, Y, Sollogoub, M, Jimenez-Barbero, J, Davies, G.J.
Deposit date:2018-09-12
Release date:2018-09-26
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.03 Å)
Cite:From 1,4-Disaccharide to 1,3-Glycosyl Carbasugar: Synthesis of a Bespoke Inhibitor of Family GH99 Endo-alpha-mannosidase.
Org.Lett., 20, 2018
6HZY
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BU of 6hzy by Molmil
Crystal structure of a bacterial fucosidase with inhibitor FucPUG
Descriptor: 1,2-ETHANEDIOL, Alpha-L-fucosidase, SULFATE ION, ...
Authors:Wu, L, Davies, G.J, Stubbs, K.A, Coyle, T, Debowski, A.W.
Deposit date:2018-10-24
Release date:2019-02-20
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Synthetic and Crystallographic Insight into Exploiting sp2Hybridization in the Development of alpha-l-Fucosidase Inhibitors.
Chembiochem, 20, 2019

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