1ZP7
 
 | | The structure of Bacillus subtilis RecU Holliday junction resolvase and its role in substrate selection and sequence specific cleavage. | | Descriptor: | Recombination protein U | | Authors: | McGregor, N, Ayora, S, Sedelnikova, S, Carrasco, B, Alonso, J.C, Thaw, P, Rafferty, J. | | Deposit date: | 2005-05-16 | | Release date: | 2005-09-20 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The Structure of Bacillus subtilis RecU Holliday Junction Resolvase and Its Role in Substrate Selection and Sequence-Specific Cleavage.
Structure, 13, 2005
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7OMS
 | | Bs164 in complex with mannocyclophellitol aziridine | | Descriptor: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, CHLORIDE ION, ... | | Authors: | McGregor, N, Beenakker, T, Kuo, C.L, Wong, C.S, Offren, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H, Davies, G.J. | | Deposit date: | 2021-05-24 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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8BQA
 | | CjCel5B endo-glucanase bound to CB665 covalent inhibitor | | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Endoglucanase, alpha-D-xylopyranose, ... | | Authors: | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2022-11-20 | | Release date: | 2023-11-29 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.67 Å) | | Cite: | Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes
To Be Published
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8BN7
 | | CjCel5C endo-glucanase | | Descriptor: | Cellulase, putative, cel5C | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2022-11-13 | | Release date: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.182 Å) | | Cite: | Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes
To Be Published
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8BQB
 | | CjCel5C endo-glucanase bound to CB396 covalent inhibitor | | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, Cellulase, putative, ... | | Authors: | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2022-11-20 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.701 Å) | | Cite: | Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes
To Be Published
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8BQC
 | | CjCel5B endo-glucanase | | Descriptor: | Endoglucanase | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2022-11-20 | | Release date: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Dissection of a Native Bacterial Xyloglucan-degrading System using Activity-Based Probes
To Be Published
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7OP7
 | | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured N-alkyl cyclophellitol aziridine | | Descriptor: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, BROMIDE ION, ... | | Authors: | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2021-05-29 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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7OP6
 | | Bacteroides thetaiotaomicron mannosidase GH2 with beta-manno-configured cyclophellitol aziridine | | Descriptor: | (1~{R},2~{R},3~{S},4~{R},5~{R},6~{R})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, BROMIDE ION, ... | | Authors: | McGregor, N.G.S, Beenakker, T.J.M, Kuo, C, Wong, C, Offen, W.A, Armstrong, Z, Codee, J.D.C, Aerts, J.M.F.G, Florea, B.I, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2021-05-29 | | Release date: | 2022-05-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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7ODJ
 | | Exo-mannosidase from Cellvibrio mixtus bound to N-alkyl mannocyclophellitol aziridine | | Descriptor: | (1R,2S,3R,4S,5R,6R)-5-(8-azidooctylamino)-6-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol, ACETATE ION, Man5A, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2021-04-29 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Synthesis of broad-specificity activity-based probes for exo -beta-mannosidases.
Org.Biomol.Chem., 20, 2022
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8OZ1
 | | CjCel5D endo-xyloglucanase bounc to CB665 covalent inhibitor | | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, BORIC ACID, Cellulase, ... | | Authors: | McGregor, N.G.S, de Boer, C, Overkleeft, H.S, Davies, G.J. | | Deposit date: | 2023-05-06 | | Release date: | 2024-02-28 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | A Multiplexing Activity-Based Protein-Profiling Platform for Dissection of a Native Bacterial Xyloglucan-Degrading System.
Acs Cent.Sci., 9, 2023
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5SV8
 | | Crystal Structure of the catalytic nucleophile and surface cysteine mutant of VvEG16 in complex with a xyloglucan oligosaccharide | | Descriptor: | alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-beta-D-glucopyranose, probable xyloglucan endotransglucosylase/hydrolase protein 19 | | Authors: | McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H. | | Deposit date: | 2016-08-05 | | Release date: | 2016-09-21 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (1.588 Å) | | Cite: | Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases.
Plant J., 89, 2017
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5DZE
 | | Crystal Structure of the catalytic nucleophile mutant of VvEG16 in complex with cellotetraose | | Descriptor: | beta-D-glucopyranose, beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, endo-glucanase | | Authors: | McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H. | | Deposit date: | 2015-09-25 | | Release date: | 2016-09-21 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (0.97 Å) | | Cite: | Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases.
Plant J., 89, 2017
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5DZF
 | | Crystal Structure of the catalytic nucleophile mutant of VvEG16 in complex with a mixed-linkage glucan octasaccharide | | Descriptor: | SULFATE ION, beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-4)-beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H. | | Deposit date: | 2015-09-25 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases.
Plant J., 89, 2017
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5DZG
 | | Crystal Structure of the catalytic nucleophile mutant of VvEG16 in complex with a xyloglucan tetradecasaccharide | | Descriptor: | VvEG16, endo-glucanase, alpha-D-xylopyranose-(1-6)-beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-[alpha-D-xylopyranose-(1-6)]beta-D-glucopyranose-(1-4)-alpha-D-glucopyranose, ... | | Authors: | McGregor, N.G.S, Tung, C.C, Van Petegem, F, Brumer, H. | | Deposit date: | 2015-09-25 | | Release date: | 2016-09-21 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Crystallographic insight into the evolutionary origins of xyloglucan endotransglycosylases and endohydrolases.
Plant J., 89, 2017
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6SXR
 | | E221Q mutant of GH54 a-l-arabinofuranosidase soaked with 4-nitrophenyl a-l-arabinofuranoside | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | | Deposit date: | 2019-09-26 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
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6SXS
 | | GH54 a-l-arabinofuranosidase soaked with cyclic sulfate inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | | Deposit date: | 2019-09-26 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.859 Å) | | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
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6SXT
 | | GH54 a-l-arabinofuranosidase soaked with aziridine inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | McGregor, N.G.S, Davies, G.J, Nin-Hill, A, Rovira, C. | | Deposit date: | 2019-09-26 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.466 Å) | | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
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6YP1
 | | HiCel7B unliganded | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, Endoglucanase 1, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2020-04-15 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1, 2020
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6YOZ
 | | HiCel7B labelled with b-1,4-glucosyl cyclophellitol | | Descriptor: | (1R,2S,3S,4S,5R,6R)-6-(HYDROXYMETHYL)CYCLOHEXANE-1,2,3,4,5-PENTOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETAMIDE, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2020-04-15 | | Release date: | 2020-09-16 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Glycosylated cyclophellitol-derived activity-based probes and inhibitors for cellulases.
Rsc Chem Biol, 1, 2020
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6SXU
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6SXV
 | | GH51 a-l-arabinofuranosidase soaked with aziridine inhibitor | | Descriptor: | 2-{2-[2-2-(METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, DI(HYDROXYETHYL)ETHER, GH51 a-l-arabinofuranosidase, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2019-09-26 | | Release date: | 2020-02-26 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.402 Å) | | Cite: | Rational Design of Mechanism-Based Inhibitors and Activity-Based Probes for the Identification of Retaining alpha-l-Arabinofuranosidases.
J.Am.Chem.Soc., 142, 2020
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6YQH
 | | 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: | 2024-01-24 | | 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
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6ZPV
 | | Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 3 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2020-07-09 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
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6ZQ0
 | | Structure of a-l-AraAZI-Bound MgGH51 a-L-Arabinofuranosidase Crystal Type 1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, MgGH51, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2020-07-09 | | Release date: | 2020-11-18 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
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6ZPW
 | | Structure of Unliganded MgGH51 a-L-Arabinofuranosidase Crystal Type 2 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, CHLORIDE ION, ... | | Authors: | McGregor, N.G.S, Davies, G.J. | | Deposit date: | 2020-07-09 | | Release date: | 2020-11-11 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.329 Å) | | Cite: | Structure of a GH51 alpha-L-arabinofuranosidase from Meripilus giganteus: conserved substrate recognition from bacteria to fungi.
Acta Crystallogr D Struct Biol, 76, 2020
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