5FL0
| 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
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5FKY
| 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
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5M0X
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5M16
| Structure of GH36 alpha-galactosidase from Thermotoga maritima in complex with a hydrolysed cyclopropyl carbasugar. | Descriptor: | (1~{R},2~{S},3~{S},4~{S},5~{S},6~{S})-1-(hydroxymethyl)bicyclo[4.1.0]heptane-2,3,4,5-tetrol, Alpha-galactosidase, MAGNESIUM ION, ... | Authors: | Pengelly, R, Gloster, T. | Deposit date: | 2016-10-07 | Release date: | 2016-11-09 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | Structural Snapshots for Mechanism-Based Inactivation of a Glycoside Hydrolase by Cyclopropyl Carbasugars. Angew.Chem.Int.Ed.Engl., 55, 2016
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5FL1
| 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
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4M4N
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4M4V
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4M4U
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7P1S
| Structure of KDNase from Trichophyton Rubrum in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid. | Descriptor: | 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, Extracellular sialidase/neuraminidase, SODIUM ION | Authors: | Gloster, T.M, McMahon, S.A. | Deposit date: | 2021-07-02 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens. Acs Chem.Biol., 16, 2021
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7P1F
| Structure of KDNase from Aspergillus terrerus in complex with 2,3-didehydro-2,3-dideoxy-D-glycero-D-galacto-nonulosonic acid. | Descriptor: | 2,6-anhydro-3-deoxy-D-glycero-D-galacto-non-2-enonic acid, CALCIUM ION, GLYCEROL, ... | Authors: | Gloster, T.M, McMahon, S.A. | Deposit date: | 2021-07-01 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens. Acs Chem.Biol., 16, 2021
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7P1E
| Structure of KDNase from Aspergillus Terrerus in complex with 2,3-difluoro-2-keto-3-deoxynononic acid | Descriptor: | (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, ... | Authors: | Gloster, T.M, McMahon, S.A. | Deposit date: | 2021-07-01 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.53 Å) | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens. Acs Chem.Biol., 16, 2021
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7P1U
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7P1Q
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7P1B
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7P1R
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7P1O
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7P1D
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7P1V
| Apo structure of KDNase from Trichophyton Rubrum | Descriptor: | CALCIUM ION, Extracellular sialidase/neuraminidase, GLYCEROL | Authors: | Gloster, T.M, McMahon, S.A. | Deposit date: | 2021-07-02 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.47 Å) | Cite: | Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens. Acs Chem.Biol., 16, 2021
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6GWG
| Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose covalently linked to the nucleophile | Descriptor: | (1~{S},2~{S},3~{S})-3-fluoranyl-6-(hydroxymethyl)cyclohex-5-ene-1,2,4-triol, Alpha-galactosidase, GLYCEROL, ... | Authors: | Gloster, T.M, Oehler, V. | Deposit date: | 2018-06-24 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.77 Å) | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nat Commun, 9, 2018
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6GVD
| Alpha-galactosidase from Thermotoga maritima in complex with cyclohexene-based carbasugar mimic of galactose | Descriptor: | (1~{S},2~{S},3~{S},4~{S})-5-(hydroxymethyl)cyclohex-5-ene-1,2,3,4-tetrol, Alpha-galactosidase, MAGNESIUM ION, ... | Authors: | Gloster, T.M, Pengelly, R.J. | Deposit date: | 2018-06-20 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nat Commun, 9, 2018
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6GWF
| Alpha-galactosidase mutant D387A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 2,4-dinitro leaving group | Descriptor: | (1~{S},2~{S},5~{S},6~{R})-5-(2,4-dinitrophenoxy)-6-fluoranyl-3-(hydroxymethyl)cyclohex-3-ene-1,2-diol, Alpha-galactosidase, MAGNESIUM ION, ... | Authors: | Gloster, T.M, Oehler, V. | Deposit date: | 2018-06-24 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.72 Å) | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nat Commun, 9, 2018
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6GTA
| Alpha-galactosidase mutant D378A from Thermotoga maritima in complex with intact cyclohexene-based carbasugar mimic of galactose with 3,5 difluorophenyl leaving group | Descriptor: | (1~{R},2~{S},3~{S},6~{S})-6-[3,5-bis(fluoranyl)phenoxy]-4-(hydroxymethyl)cyclohex-4-ene-1,2,3-triol, Alpha-galactosidase, MAGNESIUM ION, ... | Authors: | Gloster, T.M, Pengelly, R.J. | Deposit date: | 2018-06-17 | Release date: | 2018-08-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Revealing the mechanism for covalent inhibition of glycoside hydrolases by carbasugars at an atomic level. Nat Commun, 9, 2018
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