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5M1I
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BU of 5m1i by Molmil
Structure of GH36 alpha-galactosidase from Thermotoga maritima in a covalent complex with a cyclopropyl carbasugar.
分子名称: (1~{R},2~{S},3~{S},4~{S},6~{R})-4-fluoranyl-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3-diol, 1,2-ETHANEDIOL, Alpha-galactosidase, ...
著者Pengelly, R, Gloster, T.
登録日2016-10-07
公開日2016-11-09
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars.
Angew.Chem.Int.Ed.Engl., 55, 2016
7P1Q
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BU of 7p1q by Molmil
Structure of KDNase from Trichophyton Rubrum in complex with 2-keto-3-deoxynononic acid
分子名称: Extracellular sialidase/neuraminidase, GLYCEROL, deamino-alpha-neuraminic acid
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.91 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1R
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BU of 7p1r by Molmil
Structure of Trichophyton Rubrum KDNase in complex with 2,3-difluoro-KDN
分子名称: 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, Extracellular sialidase/neuraminidase, PHOSPHATE ION, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1D
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BU of 7p1d by Molmil
Structure of KDNase from Aspergillus Terrerus in complex with 2-keto-3-deoxynononic acid
分子名称: CALCIUM ION, Sialidase domain-containing protein, deamino-alpha-neuraminic acid
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1V
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BU of 7p1v by Molmil
Apo structure of KDNase from Trichophyton Rubrum
分子名称: CALCIUM ION, Extracellular sialidase/neuraminidase, GLYCEROL
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
4AIU
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BU of 4aiu by Molmil
A complex structure of BtGH84
分子名称: (3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL, CALCIUM ION, O-GLCNACASE BT_4395
著者He, Y, Davies, G.J.
登録日2012-02-13
公開日2012-06-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase.
J.Biol.Chem., 287, 2012
4AIS
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BU of 4ais by Molmil
A complex structure of BtGH84
分子名称: GLYCEROL, GLYCOLIC ACID, O-GLCNACASE BT_4395
著者He, Y, Davies, G.J.
登録日2012-02-13
公開日2012-06-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase.
J.Biol.Chem., 287, 2012
5FL1
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BU of 5fl1 by Molmil
Structure of a hydrolase with an inhibitor
分子名称: (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, ...
著者Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
登録日2015-10-20
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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
分子名称: (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, ...
著者Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
登録日2015-10-20
公開日2016-08-31
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5FKY
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BU of 5fky by Molmil
Structure of a hydrolase bound with an inhibitor
分子名称: (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
著者Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
登録日2015-10-20
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
4M4N
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BU of 4m4n by Molmil
Structural evaluation the Y358H mutant of the aspergillus fumigatus kdnase (sialidase)
分子名称: Extracellular sialidase/neuraminidase, putative, GLYCEROL, ...
著者Telford, J.C, Taylor, G.L.
登録日2013-08-07
公開日2014-09-17
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Active site mutants of a fungal KDNase
To be Published
4M4U
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BU of 4m4u by Molmil
Structural evaluation D84A mutant of the aspergillus fumigatus kdnase (sialidase)
分子名称: CHLORIDE ION, Extracellular sialidase/neuraminidase, putative, ...
著者Telford, J.C, Taylor, G.L.
登録日2013-08-07
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Active site mutants of a fungal KDNase
To be Published
4M4V
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BU of 4m4v by Molmil
Structural evaluation R171L mutant of the aspergillus fumigatus kdnase (sialidase)
分子名称: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Extracellular sialidase/neuraminidase, putative, ...
著者Telford, J.C, Taylor, G.L.
登録日2013-08-07
公開日2014-09-17
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Active site mutants of a fungal KDNase
To be Published
8AX3
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BU of 8ax3 by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl fluoride
分子名称: (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Davies, G.J.
登録日2022-08-30
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
8AWR
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BU of 8awr by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride
分子名称: (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol, (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, ...
著者Rowland, R.J, Davies, G.J.
登録日2022-08-30
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
8AWK
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BU of 8awk by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride
分子名称: (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Davies, G.J.
登録日2022-08-30
公開日2024-03-13
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
7P1E
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BU of 7p1e by Molmil
Structure of KDNase from Aspergillus Terrerus in complex with 2,3-difluoro-2-keto-3-deoxynononic acid
分子名称: (2R,3R,4R,5R,6S)-2,3-bis(fluoranyl)-4,5-bis(oxidanyl)-6-[(1R,2R)-1,2,3-tris(oxidanyl)propyl]oxane-2-carboxylic acid, 3-deoxy-3-fluoro-D-erythro-alpha-L-manno-non-2-ulopyranosonic acid, CALCIUM ION, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1S
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BU of 7p1s by Molmil
Structure of KDNase from Trichophyton Rubrum in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid.
分子名称: 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, Extracellular sialidase/neuraminidase, SODIUM ION
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1B
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BU of 7p1b by Molmil
Apo structure of KDNase from Aspergillus Terrerus
分子名称: Sialidase domain-containing protein
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1O
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BU of 7p1o by Molmil
Structure of KDNase from Aspergillus Terrerus in complex with 2-keto-3-deoxynononic acid
分子名称: CHLORIDE ION, GLYCEROL, Sialidase domain-containing protein, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1F
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BU of 7p1f by Molmil
Structure of KDNase from Aspergillus terrerus in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid.
分子名称: 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, GLYCEROL, ...
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-01
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1U
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BU of 7p1u by Molmil
Structure of KDNase from Trichophyton Rubrum in complex with 2-keto-3-deoxynononic acid
分子名称: Extracellular sialidase/neuraminidase, GLYCEROL, deamino-alpha-neuraminic acid
著者Gloster, T.M, McMahon, S.A.
登録日2021-07-02
公開日2021-10-20
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (0.99 Å)
主引用文献Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
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