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2IUF
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BU of 2iuf by Molmil
The structures of Penicillium vitale catalase: resting state, oxidised state (compound I) and complex with aminotriazole
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-6)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Murshudov, G, Borovik, A, Grebenko, A, Barynin, V, Vagin, A, Melik-Adamyan, W.
Deposit date:2006-06-02
Release date:2006-07-10
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:The Structures and Electronic Configuration of Compound I Intermediates of Helicobacter Pylori and Penicillium Vitale Catalases Determined by X-Ray Crystallography and Qm/Mm Density Functional Theory Calculations.
J.Am.Chem.Soc., 129, 2007
2IQF
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BU of 2iqf by Molmil
Crystal structure of Helicobacter pylori catalase compound I
Descriptor: ACETATE ION, Catalase, OXYGEN ATOM, ...
Authors:Loewen, P.C, Carpena, X, Fita, I.
Deposit date:2006-10-13
Release date:2007-08-28
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:The structures and electronic configuration of compound I intermediates of Helicobacter pylori and Penicillium vitale catalases determined by X-ray crystallography and QM/MM density functional theory calculations.
J.Am.Chem.Soc., 129, 2007
8RVK
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BU of 8rvk by Molmil
Maltodextrin phosphorylase (MalP) in complex with a alpha-1,2-cyclophellitol analogue
Descriptor: (3~{a}~{R},4~{R},5~{R},6~{R},7~{a}~{S})-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-1,3-benzoxazol-2-one, 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, ...
Authors:Bennett, M, Ofman, T.P, Overkleeft, H.S, Davies, G.J.
Deposit date:2024-02-01
Release date:2024-05-15
Last modified:2024-06-12
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Conformational and Electronic Variations in 1,2- and 1,5a-Cyclophellitols and their Impact on Retaining alpha-Glucosidase Inhibition.
Chemistry, 30, 2024
8RZH
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BU of 8rzh by Molmil
ZgGH129 from Zobellia galactanivorans in complex with the inhibitor AD-DGJ (3,6-anhydro-D-1-deoxygalactonojirimycin).
Descriptor: (1~{R},4~{S},5~{R},8~{S})-6-oxa-2-azabicyclo[3.2.1]octane-4,8-diol, 1,2-ETHANEDIOL, 3,6,9,12,15,18-HEXAOXAICOSANE, ...
Authors:Roret, T, Czjzek, M, Ficko-Blean, E.
Deposit date:2024-02-12
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 63, 2024
8RZJ
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BU of 8rzj by Molmil
ZgGH129 from Zobellia galactanivorans in complex with the inhibitor ADG-IF (3,6-anhydro-D-galacto-isofagomine).
Descriptor: (1~{R},5~{R},8~{S})-6-oxa-3-azabicyclo[3.2.1]octan-8-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Roret, T, Czjzek, M, Ficko-Blean, E.
Deposit date:2024-02-12
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 63, 2024
8RZI
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BU of 8rzi by Molmil
ZgGH129 from Zobellia galactanivorans soaked with 1,2-diF-ADG (3,6-Anhydro-2-deoxy-2-fluoro-a-D-galactopyranosyl fluoride) resulting in a trapped glycosyl-enzyme intermediate.
Descriptor: (1~{R},4~{S},5~{S},8~{S})-4-fluoranyl-2,6-dioxabicyclo[3.2.1]octan-8-ol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Roret, T, Czjzek, M, Ficko-Blean, E.
Deposit date:2024-02-12
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 63, 2024
8RZG
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BU of 8rzg by Molmil
ZgGH129 from Zobellia galactanivorans soaked with the product of the reaction ADG (3,6-anhydro-D-galactose).
Descriptor: (1~{R},4~{S},5~{R},8~{S})-2,6-dioxabicyclo[3.2.1]octane-4,8-diol, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Roret, T, Czjzek, M, Ficko-Blean, E.
Deposit date:2024-02-12
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 63, 2024
8RZK
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BU of 8rzk by Molmil
The Michaelis complex of ZgGH129 D486N from Zobellia galactanivorans with neo-b/k-oligo-carrageenan tetrasaccharide (beta-kappa neo-oligo-carrageenan DP4).
Descriptor: 1,2-ETHANEDIOL, 3,6-anhydro-alpha-D-galactopyranose-(1-3)-beta-D-galactopyranose-(1-4)-3,6-anhydro-alpha-D-galactopyranose-(1-3)-4-O-sulfo-beta-D-galactopyranose, CHLORIDE ION, ...
Authors:Roret, T, Czjzek, M, Ficko-Blean, E.
Deposit date:2024-02-12
Release date:2024-07-31
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.29 Å)
Cite:Constrained Catalytic Itinerary of a Retaining 3,6-Anhydro-D-Galactosidase, a Key Enzyme in Red Algal Cell Wall Degradation.
Angew.Chem.Int.Ed.Engl., 63, 2024
4JIE
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BU of 4jie by Molmil
Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL, ...
Authors:Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R.
Deposit date:2013-03-05
Release date:2013-10-09
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Acta Crystallogr.,Sect.D, 69, 2013
4JHO
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BU of 4jho by Molmil
Structural analysis and insights into glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-mannosidase/beta-glucosidase, GLYCEROL
Authors:Tankrathok, A, Luang, S, Robinson, R.C, Kimura, A, Hrmova, M, Ketudat Cairns, J.R.
Deposit date:2013-03-05
Release date:2013-10-09
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Structural analysis and insights into the glycon specificity of the rice GH1 Os7BGlu26 beta-D-mannosidase
Acta Crystallogr.,Sect.D, 69, 2013
6YJS
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BU of 6yjs by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJQ
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BU of 6yjq by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A,Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJT
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BU of 6yjt by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YQH
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BU of 6yqh by Molmil
GH146 beta-L-arabinofuranosidase bound to covalent inhibitor
Descriptor: (1~{S},2~{S},3~{S},4~{S})-4-(hydroxymethyl)cyclopentane-1,2,3-triol, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Acetyl-CoA carboxylase, ...
Authors:McGregor, N.G.S, Davies, G.J.
Deposit date:2020-04-17
Release date:2021-01-27
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Cysteine Nucleophiles in Glycosidase Catalysis: Application of a Covalent beta-l-Arabinofuranosidase Inhibitor.
Angew.Chem.Int.Ed.Engl., 60, 2021
6YJV
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BU of 6yjv by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP-2-deoxy-2-fluoroglucose and biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJR
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BU of 6yjr by Molmil
Crystal structure of unliganded MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain.
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase A, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (2.198 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
6YJU
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BU of 6yju by Molmil
Crystal structure of MGAT5 (alpha-1,6-mannosylglycoprotein 6-beta-N-acetylglucosaminyltransferase V) luminal domain with a Lys329-Ile345 loop truncation, in complex with UDP and biantennary pentasaccharide M592
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)-[alpha-D-mannopyranose-(1-3)]alpha-D-mannopyranose, ...
Authors:Wu, L, Darby, J.F, Gilio, A.K, Davies, G.J.
Deposit date:2020-04-04
Release date:2020-08-05
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Substrate Engagement and Catalytic Mechanisms of N-Acetylglucosaminyltransferase V
Acs Catalysis, 2020
8R43
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BU of 8r43 by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H110N in complex with tri-mannuronic acid
Descriptor: Alginate lyase, SODIUM ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid
Authors:Wilkens, C.
Deposit date:2023-11-12
Release date:2024-01-17
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (0.87 Å)
Cite:Unraveling the molecular mechanism of polysaccharide lyases for efficient alginate degradation.
Nat Commun, 16, 2025
8QLI
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BU of 8qli by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124 soaked with with tetra-mannuronic acid
Descriptor: Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Wilkens, C.
Deposit date:2023-09-19
Release date:2024-09-11
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:Unraveling the molecular mechanism of polysaccharide lyases for efficient alginate degradation.
Nat Commun, 16, 2025
8QMJ
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BU of 8qmj by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124 soaked with hexa-mannuronic acid
Descriptor: Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-D-mannopyranuronic acid
Authors:Wilkens, C.
Deposit date:2023-09-22
Release date:2024-10-02
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (0.98 Å)
Cite:Unraveling the molecular mechanism of polysaccharide lyases for efficient alginate degradation.
Nat Commun, 16, 2025
8QIZ
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BU of 8qiz by Molmil
Crystal structure of Paradendryphiella salina PL7C alginate lyase mutant H124N soaked with with penta-mannuronic acid
Descriptor: Alginate lyase, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Wilkens, C.
Deposit date:2023-09-12
Release date:2025-02-05
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (1.13 Å)
Cite:Unraveling the molecular mechanism of polysaccharide lyases for efficient alginate degradation.
Nat Commun, 16, 2025
9FHT
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BU of 9fht by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex hexaguluronic acid at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION, alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid-(1-4)-alpha-L-gulopyranuronic acid
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FI4
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BU of 9fi4 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Q173N at pH 8
Descriptor: Alginate lyase family protein
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.47 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FI5
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BU of 9fi5 by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) mutant Y298F in complex tetramannuronic acid at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025
9FHU
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BU of 9fhu by Molmil
Bacteroides ovatus polysaccharide lyase family 38 (BoPL38) wild type in complex hexamannuluronic acid at pH 3.5
Descriptor: Alginate lyase family protein, SULFATE ION, beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid-(1-4)-beta-D-mannopyranuronic acid
Authors:Tandrup, T, Wilkens, C.
Deposit date:2024-05-28
Release date:2025-07-09
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:The Swiss Army Knife of Alginate Metabolism: Mechanistic Analysis of a Mixed-Function Polysaccharide Lyase/Epimerase of the Human Gut Microbiota.
J.Am.Chem.Soc., 2025

238582

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