6H0P
 
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5SYW
 | | Crystal structure of Burkhoderia pseudomallei KatG variant Q233E | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2016-08-12 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
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5SYJ
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6H0N
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5SYU
 | | Crystal structure of Burkholderia pseudomallei KatG E242Q variant | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2016-08-12 | | Release date: | 2016-09-14 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Catalase Activity of Catalase-Peroxidases Is Modulated by Changes in the pKa of the Distal Histidine.
Biochemistry, 56, 2017
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5SYI
 | | Structure of D141A variant of B. pseudomallei KatG complexed with INH | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2016-08-11 | | Release date: | 2016-09-07 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Binding of the antitubercular pro-drug isoniazid in the heme access channel of catalase-peroxidase (KatG). A combined structural and metadynamics investigation.
J Phys Chem B, 118, 2014
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5SYH
 | | Structure of D141A variant of B. pseudomallei KatG | | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, CHLORIDE ION, Catalase-peroxidase, ... | | Authors: | Loewen, P.C. | | Deposit date: | 2016-08-11 | | Release date: | 2016-09-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An ionizable active-site tryptophan imparts catalase activity to a peroxidase core.
J. Am. Chem. Soc., 136, 2014
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5TXQ
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6IBK
 | | Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfamidate ME763 | | Descriptor: | (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Wu, L, Davies, G.J. | | Deposit date: | 2018-11-30 | | Release date: | 2019-10-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
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6IBR
 | | Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol epoxide LWA481 | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Wu, L, Davies, G.J. | | Deposit date: | 2018-11-30 | | Release date: | 2019-10-09 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.02 Å) | | Cite: | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
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6IBM
 | | Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ... | | Authors: | Rowland, R.J, Wu, L, Davies, G.J. | | Deposit date: | 2018-11-30 | | Release date: | 2019-10-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
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6IBT
 | | Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol aziridine ME737 | | Descriptor: | (1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Rowland, R.J, Wu, L, Davies, G.J. | | Deposit date: | 2018-11-30 | | Release date: | 2019-10-09 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
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3WLK
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3WLP
 | | Crystal Structure Analysis of Plant Exohydrolase | | Descriptor: | 1-thio-beta-D-glucopyranose-(1-6)-methyl beta-D-glucopyranoside, 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, ... | | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | | Deposit date: | 2013-11-12 | | Release date: | 2015-03-25 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.57 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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3WLO
 | | Crystal Structure Analysis of Plant Exohydrolase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, SULFATE ION, ... | | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | | Deposit date: | 2013-11-12 | | Release date: | 2015-03-25 | | Last modified: | 2024-10-30 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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3WLM
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3WLI
 | | Crystal Structure Analysis of Plant Exohydrolase | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ... | | Authors: | Streltsov, V.A, Hrmova, M. | | Deposit date: | 2013-11-12 | | Release date: | 2015-03-25 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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6JGR
 | | Crystal structure of barley exohydrolaseI W434Y in complex with 4'-nitrophenyl thiolaminaribioside | | Descriptor: | 4'-NITROPHENYL-S-(BETA-D-GLUCOPYRANOSYL)-(1-3)-(3-THIO-BETA-D-GLUCOPYRANOSYL)-(1-3)-BETA-D-GLUCOPYRANOSIDE, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6JG6
 | | Crystal structure of barley exohydrolaseI W286A mutant in complex with methyl 6-thio-beta-gentiobioside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6JGT
 | | Crystal structure of barley exohydrolaseI W434Y mutant in complex with methyl 6-thio-beta-gentiobioside. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6JG7
 | | Crystal structure of barley exohydrolaseI W286F in complex with methyl 2-thio-beta-sophoroside | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, GLYCEROL, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6JGC
 | | Crystal structure of barley exohydrolaseI W286Y mutant in complex with glucose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.36 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6JGS
 | | Crystal structure of barley exohydrolaseI W434Y mutant in complex with 4I,4III,4V-S-trithiocellohexaose. | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, BETA-D-GLUCAN GLUCOHYDROLASE ISOENZYME EXO1, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6JGK
 | | Crystal structure of barley exohydrolaseI W434F mutant in complex with 4I,4III,4V-S-trithiocellohexaose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, GLYCEROL, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-14 | | Release date: | 2020-08-19 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.66 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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6JG2
 | | Crystal structure of barley exohydrolaseI wildtype in complex with 4'-nitrophenyl thiolaminaribioside | | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-(4-nitrophenoxy)-3,5-bis(oxidanyl)oxan-4-yl]sulfanyl-oxane-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, Barley exohydrolase I, ... | | Authors: | Luang, S, Streltsov, V.A, Hrmova, M. | | Deposit date: | 2019-02-13 | | Release date: | 2020-08-19 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | The evolutionary advantage of an aromatic clamp in plant family 3 glycoside exo-hydrolases.
Nat Commun, 13, 2022
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