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6PV4
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BU of 6pv4 by Molmil
Structure of CpGH84A
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Glycoside Hydrolase
Authors:Pluvinage, B, Boraston, A.B.
Deposit date:2019-07-19
Release date:2019-09-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structural and functional analysis of four family 84 glycoside hydrolases from the opportunistic pathogen Clostridium perfringens.
Glycobiology, 30, 2019
6K35
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BU of 6k35 by Molmil
Crystal structure of GH20 exo beta-N-acetylglucosaminidase from Vibrio harveyi in complex with NAG-thiazoline
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Beta-N-acetylglucosaminidase Nag2
Authors:Meekrathok, P, Stubbs, K.A, Bulmer, D.M, van den Berg, B, Suginta, W.
Deposit date:2019-05-16
Release date:2020-05-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:NAG-thiazoline is a potent inhibitor of the Vibrio campbellii GH20 beta-N-Acetylglucosaminidase.
Febs J., 287, 2020
6RHE
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BU of 6rhe by Molmil
CpOGA D298N in complex with hOGA-derived S-GlcNAc peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-ALA-HIS-CYS-GLY-NH2, CADMIUM ION, ...
Authors:Van Aalten, D, Bartual, S.G, Gorelik, A.
Deposit date:2019-04-19
Release date:2019-12-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Genetic recoding to dissect the roles of site-specific protein O-GlcNAcylation.
Nat.Struct.Mol.Biol., 26, 2019
6JQF
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BU of 6jqf by Molmil
Crystallization analysis of a beta-N-acetylhexosaminidase (Am2136) from Akkermansia muciniphila
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, Glycoside hydrolase, ...
Authors:Zhang, M, Chen, X.
Deposit date:2019-03-31
Release date:2019-12-11
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Biochemical characteristics and crystallographic evidence for substrate-assisted catalysis of a beta-N-acetylhexosaminidase in Akkermansia muciniphila.
Biochem.Biophys.Res.Commun., 517, 2019
6JEB
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BU of 6jeb by Molmil
crystal structure of a beta-N-acetylhexosaminidase
Descriptor: ACETAMIDE, Beta-N-acetylhexosaminidase, ZINC ION
Authors:Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
Deposit date:2019-02-05
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.498 Å)
Cite:Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
6JEA
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BU of 6jea by Molmil
crystal structure of a beta-N-acetylhexosaminidase
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, ZINC ION
Authors:Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
Deposit date:2019-02-04
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.275 Å)
Cite:Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
6JE8
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BU of 6je8 by Molmil
crystal structure of a beta-N-acetylhexosaminidase
Descriptor: Beta-N-acetylhexosaminidase, FORMIC ACID, GLYCEROL, ...
Authors:Chen, X, Wang, J.C, Liu, M.J, Yang, W.Y, Wang, Y.Z, Tang, R.P, Zhang, M.
Deposit date:2019-02-04
Release date:2019-03-13
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.798 Å)
Cite:Crystallographic evidence for substrate-assisted catalysis of beta-N-acetylhexosaminidas from Akkermansia muciniphila.
Biochem. Biophys. Res. Commun., 511, 2019
6Q63
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BU of 6q63 by Molmil
BT0459
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-hexosaminidase, CALCIUM ION, ...
Authors:Basle, A, Crouch, L, Bolam, D.
Deposit date:2018-12-10
Release date:2019-05-08
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.44 Å)
Cite:Complex N-glycan breakdown by gut Bacteroides involves an extensive enzymatic apparatus encoded by multiple co-regulated genetic loci.
Nat Microbiol, 4, 2019
6EZT
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BU of 6ezt by Molmil
Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase D437A inactive mutant from Vibrio harveyi
Descriptor: Beta-N-acetylglucosaminidase Nag2, DI(HYDROXYETHYL)ETHER, TETRAETHYLENE GLYCOL
Authors:Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W.
Deposit date:2017-11-16
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
To Be Published
6EZR
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BU of 6ezr by Molmil
Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
Descriptor: Beta-N-acetylglucosaminidase Nag2
Authors:Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W.
Deposit date:2017-11-16
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
To Be Published
6EZS
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BU of 6ezs by Molmil
Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi in complex with N-acetylglucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylglucosaminidase Nag2, MALONATE ION
Authors:Porfetye, A.T, Meekrathok, P, Burger, M, Vetter, I.R, Suginta, W.
Deposit date:2017-11-16
Release date:2018-12-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of GH20 Exo beta-N-Acetylglucosaminidase from Vibrio harveyi
To Be Published
5OXD
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BU of 5oxd by Molmil
Complex of a C. perfringens O-GlcNAcase with a fragment hit
Descriptor: 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ
Authors:Rafie, K, van Aalten, D.M.F.
Deposit date:2017-09-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry.
ACS Chem. Biol., 13, 2018
5MI7
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BU of 5mi7 by Molmil
BtGH84 mutant with covalent modification by MA4 in complex with PUGNAc
Descriptor: CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI5
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BU of 5mi5 by Molmil
BtGH84 mutant with covalent modification by MA3 in complex with PUGNAc
Descriptor: CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GlcNAcase BT_4395, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI6
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BU of 5mi6 by Molmil
BtGH84 mutant with covalent modification by MA3 in complex with Thiamet G
Descriptor: (3AR,5R,6S,7R,7AR)-2-(ETHYLAMINO)-5-(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, 1,2-ETHANEDIOL, CALCIUM ION, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI4
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BU of 5mi4 by Molmil
BtGH84 mutant with covalent modification by MA3
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ...
Authors:Darby, J.F, Davies, G.J, Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5FD0
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BU of 5fd0 by Molmil
Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with NAGlucal
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, B-N-acetylhexosaminidase, GLYCEROL, ...
Authors:Vadlamani, G, Mark, B.L.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:N-Acetyl glycals are tight-binding and environmentally insensitive inhibitors of hexosaminidases.
Chem.Commun.(Camb.), 52, 2016
5FCZ
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BU of 5fcz by Molmil
Streptomyces plicatus N-acetyl-beta-hexosaminidase in complex with Thio-NAglucal (TNX)
Descriptor: 1,5-anhydro-2-deoxy-2-(ethanethioylamino)-D-arabino-hex-1-enitol, B-N-acetylhexosaminidase, CHLORIDE ION, ...
Authors:Vadlamani, G, Mark, B.L.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:N-Acetyl glycals are tight-binding and environmentally insensitive inhibitors of hexosaminidases.
Chem.Commun.(Camb.), 52, 2016
5FKY
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BU of 5fky by Molmil
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
5FL0
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BU of 5fl0 by Molmil
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
5FL1
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BU of 5fl1 by Molmil
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
5ABH
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BU of 5abh by Molmil
Structure of GH84 with ligand
Descriptor: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
Authors:Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5ABF
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BU of 5abf by Molmil
Structure of GH84 with ligand
Descriptor: 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
Authors:Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5ABE
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BU of 5abe by Molmil
Structure of GH84 with ligand
Descriptor: 2-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, O-GLCNACASE BT_4395
Authors:Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5ABG
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BU of 5abg by Molmil
Structure of GH84 with ligand
Descriptor: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
Authors:Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
Deposit date:2015-08-05
Release date:2015-11-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015

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