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2CER
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BU of 2cer by Molmil
Beta-glycosidase from Sulfolobus solfataricus in complex with phenethyl-substituted glucoimidazole
Descriptor: (5R,6R,7S,8S)-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, ACETATE ION, BETA-GLUCOSIDASE A
Authors:Gloster, T.M, Roberts, S, Moracci, M, Vasella, A, Davies, G.J.
Deposit date:2006-02-10
Release date:2006-09-27
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Structural, Kinetic, and Thermodynamic Analysis of Glucoimidazole-Derived Glycosidase Inhibitors.
Biochemistry, 45, 2006
2CC0
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BU of 2cc0 by Molmil
Family 4 carbohydrate esterase from Streptomyces lividans in complex with acetate
Descriptor: ACETATE ION, ACETYL-XYLAN ESTERASE, ZINC ION
Authors:Taylor, E.J, Gloster, T.M, Turkenburg, J.P, Vincent, F, Brzozowski, A.M, Dupont, C, Shareck, F, Centeno, M.S.J, Prates, J.A.M, Puchart, V, Ferreira, L.M.A, Fontes, C.M.G.A, Biely, P, Davies, G.J.
Deposit date:2006-01-10
Release date:2006-01-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure and Activity of Two Metal-Ion Dependent Acetyl Xylan Esterases Involved in Plant Cell Wall Degradation Reveals a Close Similarity to Peptidoglycan Deacetylases
J.Biol.Chem., 281, 2006
2CN2
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BU of 2cn2 by Molmil
Crystal Structures of Clostridium thermocellum Xyloglucanase
Descriptor: BETA-1,4-XYLOGLUCAN HYDROLASE, CADMIUM ION
Authors:Martinez-Fleites, C, Taylor, E.J, Guerreiro, C.I, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Baumann, M.J, Brumer, H, Davies, G.J.
Deposit date:2006-05-17
Release date:2006-05-22
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal Structures of Clostridium Thermocellum Xyloglucanase, Xgh74A, Reveal the Structural Basis for Xyloglucan Recognition and Degradation.
J.Biol.Chem., 281, 2006
2CDP
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BU of 2cdp by Molmil
Structure of a CBM6 in complex with neoagarohexaose
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-AGARASE 1, ...
Authors:Henshaw, J, Horne, A, Van Bueren, A.L, Money, V.A, Bolam, D.N, Czjzek, M, Weiner, R.M, Hutcheson, S.W, Davies, G.J, Boraston, A.B, Gilbert, H.J.
Deposit date:2006-01-26
Release date:2006-02-08
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Family 6 Carbohydrate Binding Modules in Beta-Agarases Display Exquisite Selectivity for the Non- Reducing Termini of Agarose Chains.
J.Biol.Chem., 281, 2006
2CIT
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BU of 2cit by Molmil
Structure of the covalent intermediate of a family 26 lichenase
Descriptor: ENDOGLUCANASE H, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-3)-2-deoxy-2-fluoro-alpha-D-glucopyranose
Authors:Money, V.A, Smith, N.L, Scaffidi, A, Stick, R.V, Gilbert, H.J, Davies, G.J.
Deposit date:2006-03-24
Release date:2006-04-10
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Substrate Distortion by a Lichenase Highlights the Different Conformational Itineraries Harnessed by Related Glycoside Hydrolases.
Angew.Chem.Int.Ed.Engl., 45, 2006
2C8N
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BU of 2c8n by Molmil
The Structure of a family 51 arabinofuranosidase, Araf51, from Clostridium thermocellum in complex with 1,3-linked arabinoside of xylobiose.
Descriptor: 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, alpha-L-arabinofuranose-(1-3)-alpha-D-xylopyranose
Authors:Taylor, E.J, Smith, N.L, Turkenburg, J.P, D'Souza, S, Gilbert, H.J, Davies, G.J.
Deposit date:2005-12-06
Release date:2005-12-14
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural Insight Into the Ligand Specificity of a Thermostable Family 51 Arabinofuranosidase, Araf51, from Clostridium Thermocellum.
Biochem.J., 395, 2006
2CIP
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BU of 2cip by Molmil
Structure of the Michaelis complex of a family 26 lichenase
Descriptor: 4-METHYL-2H-CHROMEN-2-ONE, ENDOGLUCANASE H, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose
Authors:Money, V.A, Smith, N.L, Scaffidi, A, Stick, R.V, Gilbert, H.J, Davies, G.J.
Deposit date:2006-03-24
Release date:2006-07-12
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Substrate Distortion by a Lichenase Highlights the Different Conformational Itineraries Harnessed by Related Glycoside Hydrolases.
Angew.Chem.Int.Ed.Engl., 45, 2006
2C7F
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BU of 2c7f by Molmil
The Structure of a family 51 arabinofuranosidase, Araf51, from Clostridium thermocellum in complex with 1,5-alpha-L-Arabinotriose.
Descriptor: 1,2-ETHANEDIOL, ALPHA-L-ARABINOFURANOSIDASE, alpha-L-arabinofuranose-(1-5)-alpha-L-arabinofuranose, ...
Authors:Taylor, E.J, Smith, N.L, Turkenburg, J.P, D'Souza, S, Gilbert, H.J, Davies, G.J.
Deposit date:2005-11-23
Release date:2005-12-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Structural Insight Into the Ligand Specificity of a Thermostable Family 51 Arabinofuranosidase, Araf51, from Clostridium Thermocellum.
Biochem.J., 395, 2006
2CHO
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BU of 2cho by Molmil
Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity
Descriptor: ACETATE ION, CALCIUM ION, GLUCOSAMINIDASE, ...
Authors:Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J.
Deposit date:2006-03-16
Release date:2006-06-19
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
5E97
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BU of 5e97 by Molmil
Glycoside Hydrolase ligand structure 1
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-beta-D-glucopyranuronic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
Authors:Wu, L, Davies, G.J.
Deposit date:2015-10-14
Release date:2015-11-18
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Structural characterization of human heparanase reveals insights into substrate recognition.
Nat.Struct.Mol.Biol., 22, 2015
2C79
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BU of 2c79 by Molmil
The structure of a family 4 acetyl xylan esterase from Clostridium thermocellum in complex with a colbalt ion.
Descriptor: COBALT (II) ION, GLYCOSIDE HYDROLASE, FAMILY 11:CLOSTRIDIUM CELLULOSOME ENZYME, ...
Authors:Taylor, E.J, Turkenburg, P.J, Vincent, F, Brzozowski, A.M, Gloster, T.M, Dupont, C, Shareck, F, Centeno, M.S.J, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Biely, P, Davies, G.J.
Deposit date:2005-11-18
Release date:2006-01-23
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structure and Activity of Two Metal-Ion Dependent Acetyl Xylan Esterases Involved in Plant Cell Wall Degradation Reveals a Close Similarity to Peptidoglycan Deacetylases.
J.Biol.Chem., 281, 2006
2CHN
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BU of 2chn by Molmil
Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CALCIUM ION, GLUCOSAMINIDASE, ...
Authors:Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J.
Deposit date:2006-03-15
Release date:2006-05-08
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
2CCL
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BU of 2ccl by Molmil
THE S45A, T46A MUTANT OF THE TYPE I COHESIN-DOCKERIN COMPLEX FROM THE CELLULOSOME OF CLOSTRIDIUM THERMOCELLUM
Descriptor: CALCIUM ION, CELLULOSOMAL SCAFFOLDING PROTEIN A, ENDO-1,4-BETA-XYLANASE Y, ...
Authors:Carvalho, A.L, Dias, F.M.V, Prates, J.A.M, Ferreira, L.M.A, Gilbert, H.J, Davies, G.J, Romao, M.J, Fontes, C.M.G.A.
Deposit date:2006-01-16
Release date:2007-02-13
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.03 Å)
Cite:Evidence for a Dual Binding Mode of Dockerin Modules to Cohesins.
Proc.Natl.Acad.Sci.USA, 104, 2007
2C71
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BU of 2c71 by Molmil
The structure of a family 4 acetyl xylan esterase from Clostridium thermocellum in complex with a magnesium ion.
Descriptor: GLYCOSIDE HYDROLASE, FAMILY 11:CLOSTRIDIUM CELLULOSOME ENZYME, DOCKERIN TYPE I:POLYSACCHARIDE, ...
Authors:Taylor, E.J, Turkenburg, P.J, Vincent, F, Brzozowski, A.M, Gloster, T.M, Dupont, C, Shareck, F, Centeno, M.S.J, Prates, J.A.M, Ferreira, L.M.A, Fontes, C.M.G.A, Biely, P, Davies, G.J.
Deposit date:2005-11-17
Release date:2006-01-23
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Structure and Activity of Two Metal-Ion Dependent Acetyl Xylan Esterases Involved in Plant Cell-Wall Degradation Reveals a Close Similarity to Peptidoglycan Deacetylases.
J.Biol.Chem., 281, 2006
5FJI
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BU of 5fji by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
5FKY
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BU of 5fky by Molmil
Structure of a hydrolase bound with an inhibitor
Descriptor: (3aR,5R,6S,7R,7aR)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, GLYCEROL, O-GLCNACASE BT_4395
Authors:Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
Deposit date:2015-10-20
Release date:2016-01-27
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5FL0
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BU of 5fl0 by Molmil
Structure of a hydrolase with an inhibitor
Descriptor: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-2-(butylamino)-5-(hydroxymethyl)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d] [1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
Deposit date:2015-10-20
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5FJS
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BU of 5fjs by Molmil
Bacterial beta-glucosidase reveals the structural and functional basis of genetic defects in human glucocerebrosidase 2 (GBA2)
Descriptor: CALCIUM ION, GLUCOSYLCERAMIDASE
Authors:Charoenwattanasatien, R, Pengthaisong, S, Breen, I, Mutoha, R, Sansenya, S, Hua, Y, Tankrathok, A, Wu, L, Songsiriritthigul, C, Tanaka, H, Williams, S.J, Davies, G.J, Kurisu, G, Ketudat Cairns, J.R.
Deposit date:2015-10-12
Release date:2016-05-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Bacterial Beta-Glucosidase Reveals the Structural and Functional Basis of Genetic Defects in Human Glucocerebrosidase 2 (Gba2)
Acs Chem.Biol., 11, 2016
5FKR
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BU of 5fkr by Molmil
Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ...
Authors:Attia, M, Stepper, J, Davies, G.J, Brumer, H.
Deposit date:2015-10-19
Release date:2015-11-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation.
FEBS J., 283, 2016
5FJJ
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BU of 5fjj by Molmil
Three-dimensional structures of two heavily N-glycosylated Aspergillus sp. Family GH3 beta-D-glucosidases
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-GLUCOSIDASE, ...
Authors:Agirre, J, Ariza, A, Offen, W.A, Turkenburg, J.P, Roberts, S.M, McNicholas, S, Harris, P.V, McBrayer, B, Dohnalek, J, Cowtan, K.D, Davies, G.J, Wilson, K.S.
Deposit date:2015-10-09
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Three-Dimensional Structures of Two Heavily N-Glycosylated Aspergillus Sp. Family Gh3 Beta-D-Glucosidases
Acta Crystallogr.,Sect.D, 72, 2016
5FKS
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BU of 5fks by Molmil
Unraveling the first step of xyloglucan degradation by the soil saprophyte Cellvibrio japonicus through the functional and structural characterization of a potent GH74 endo-xyloglucanase
Descriptor: 1,2-ETHANEDIOL, BROMIDE ION, ENDO-1,4-BETA-GLUCANASE/XYLOGLUCANASE, ...
Authors:Attia, M, Stepper, J, Davies, G.J, Brumer, H.
Deposit date:2015-10-19
Release date:2015-11-25
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Functional and Structural Characterization of a Potent Gh74 Endo-Xyloglucanase from the Soil Saprophyte Cellvibrio Japonicus Unravels the First Step of Xyloglucan Degradation.
FEBS J., 283, 2016
5FL1
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BU of 5fl1 by Molmil
Structure of a hydrolase with an inhibitor
Descriptor: (3~{a}~{R},5~{R},6~{S},7~{R},7~{a}~{R})-5-(hydroxymethyl)-2-(prop-2-enylamino)-5,6,7,7~{a}-tetrahydro-3~{a}~{H}-pyrano[3,2-d][1,3]thiazole-6,7-diol, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
Deposit date:2015-10-20
Release date:2016-08-31
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5BY3
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BU of 5by3 by Molmil
A novel family GH115 4-O-Methyl-alpha-glucuronidase, BtGH115A, with specificity for decorated arabinogalactans
Descriptor: BtGH115A, NICKEL (II) ION, SULFATE ION
Authors:Lammerts van Bueren, A, Davies, G.J, Turkenburg, J.P.
Deposit date:2015-06-10
Release date:2015-07-22
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Structural and Functional Characterization of a Novel Family GH115 4-O-Methyl-alpha-Glucuronidase with Specificity for Decorated Arabinogalactans.
J.Mol.Biol., 427, 2015
5AEG
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BU of 5aeg by Molmil
A bacterial protein structure in glycoside hydrolase family 31.
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 5-fluoro-alpha-L-idopyranose, ALPHA-GLUCOSIDASE YIHQ, ...
Authors:Jin, Y, Speciale, G, Davies, G.J, Williams, S.J, Goddard-Borger, E.D.
Deposit date:2015-08-30
Release date:2016-02-10
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Yihq is a Sulfoquinovosidase that Cleaves Sulfoquinovosyl Diacylglyceride Sulfolipids.
Nat.Chem.Biol., 12, 2016
5ABH
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BU of 5abh by Molmil
Structure of GH84 with ligand
Descriptor: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
Authors:Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015

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