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2WVS
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CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 TRAPPED COVALENT INTERMEDIATE FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH 2- FLUORO-FUCOSYL FLUORIDE USING AN E288Q MUTANT
Descriptor:ALPHA-L-FUCOSIDASE, 2-DEOXY-2-FLUORO-BETA-L-FUCOPYRANOSE, SULFATE ION
Authors:Lammerts van Bueren, A., Ardevol, A., Fayers-Kerr, J., Luo, B., Zhang, Y., Sollogoub, M., Bleriot, Y., Rovira, C., Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
2WVT
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CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON IN COMPLEX WITH A NOVEL IMINOSUGAR FUCOSIDASE INHIBITOR
Descriptor:ALPHA-L-FUCOSIDASE, (2S,3R,5R,6S)-3,4,5-TRIHYDROXY-2,6-BIS(HYDROXYMETHYL)PIPERIDINIUM, GLYCEROL, ...
Authors:Lammerts van Bueren, A., Ardevol, A., Fayers-Kerr, J., Luo, B., Zhang, Y., Sollogoub, M., Bleriot, Y., Rovira, C., Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach.
J.Am.Chem.Soc., 132, 2010
2WVU
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CRYSTAL STRUCTURE OF A MICHAELIS COMPLEX OF ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON WITH THE SYNTHETIC SUBSTRATE 4- NITROPHENYL-ALPHA-L-FUCOSE
Descriptor:ALPHA-L-FUCOSIDASE, SULFATE ION, 4-nitrophenyl-alpha-L-fucose
Authors:Lammerts van Bueren, A., Ardevol, A., Fayers-Kerr, J., Luo, B., Zhang, Y., Sollogoub, M., Bleriot, Y., Rovira, C., Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2019-02-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
2WVV
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CRYSTAL STRUCTURE OF AN ALPHA-L-FUCOSIDASE GH29 FROM BACTEROIDES THETAIOTAOMICRON
Descriptor:ALPHA-L-FUCOSIDASE, 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, SULFATE ION, ...
Authors:Lammerts van Bueren, A., Ardevol, A., Fayers-Kerr, J., Luo, B., Zhang, Y., Sollogoub, M., Bleriot, Y., Rovira, C., Davies, G.J.
Deposit date:2009-10-20
Release date:2010-02-02
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Analysis of the Reaction Coordinate of Alpha-L-Fucosidases: A Combined Structural and Quantum Mechanical Approach
J.Am.Chem.Soc., 132, 2010
2VJX
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STRUCTURAL AND BIOCHEMICAL EVIDENCE FOR A BOAT-LIKE TRANSITION STATE IN BETA-MANNOSIDASES
Descriptor:BETA-MANNOSIDASE, (3S,4R,5R)-3,4-DIHYDROXY-5-(HYDROXYMETHYL)PIPERIDIN-2-ONE, 1,2-ETHANEDIOL, ...
Authors:Tailford, L.E., Offen, W.A., Smith, N.L., Dumon, C., Moreland, C., Gratien, J., Heck, M.P., Stick, R.V., Bleriot, Y., Vasella, A., Gilbert, H.J., Davies, G.J.
Deposit date:2007-12-14
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2VL4
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STRUCTURAL AND BIOCHEMICAL EVIDENCE FOR A BOAT-LIKE TRANSITION STATE IN BETA-MANNOSIDASES
Descriptor:BETA-MANNOSIDASE, (2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, 1,2-ETHANEDIOL, ...
Authors:Tailford, L.E., Offen, W.A., Smith, N.L., Dumon, C., Moreland, C., Gratien, J., Heck, M.P., Stick, R.V., Bleriot, Y., Vasella, A., Gilbert, H.J., Davies, G.J.
Deposit date:2008-01-08
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2VMF
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STRUCTURAL AND BIOCHEMICAL EVIDENCE FOR A BOAT-LIKE TRANSITION STATE IN BETA-MANNOSIDASES
Descriptor:BETA-MANNOSIDASE, (5R,6R,7S,8R)-5-(HYDROXYMETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDINE-6,7,8-TRIOL, 1,2-ETHANEDIOL, ...
Authors:Tailford, L.E., Offen, W.A., Smith, N.L., Dumon, C., Moreland, C., Gratien, J., Heck, M.P., Stick, R.V., Bleriot, Y., Vasella, A., Gilbert, H.J., Davies, G.J.
Deposit date:2008-01-25
Release date:2008-04-01
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2VO5
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STRUCTURAL AND BIOCHEMICAL EVIDENCE FOR A BOAT-LIKE TRANSITION STATE IN BETA-MANNOSIDASES
Descriptor:BETA-MANNOSIDASE, (1R,4R,5R,7R,8R)-2-Benzyl-5-hydroxymethyl-2-aza-bicyclo[2.2.2]octane-4,7,8-triol, 1,2-ETHANEDIOL, ...
Authors:Tailford, L.E., Offen, W.A., Smith, N.L., Dumon, C., Moreland, C., Gratien, J., Heck, M.P., Stick, R.V., Bleriot, Y., Vasella, A., Gilbert, H.J., Davies, G.J.
Deposit date:2008-02-08
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2VOT
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STRUCTURAL AND BIOCHEMICAL EVIDENCE FOR A BOAT-LIKE TRANSITION STATE IN BETA-MANNOSIDASES
Descriptor:BETA-MANNOSIDASE, (5R,6R,7S,8R)-6,7,8-trihydroxy-5-(hydroxymethyl)-2-[(phenylamino)methyl]-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, 1,2-ETHANEDIOL, ...
Authors:Tailford, L.N., Offen, W.A., Smith, N., Dumon, C., Moreland, C., Gratien, J., Heck, M.-P., Stick, R.V., Bleriot, Y., Vasella, A., Gilbert, H.J., Davies, G.J.
Deposit date:2008-02-20
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2VQT
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STRUCTURAL AND BIOCHEMICAL EVIDENCE FOR A BOAT-LIKE TRANSITION STATE IN BETA-MANNOSIDASES
Descriptor:BETA-MANNOSIDASE, (2Z,3R,4S,5R,6R)-2-[(2-aminoethyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, ...
Authors:Tailford, L.E., Offen, W.A., Smith, N.L., Dumon, C., Moreland, C., Gratien, J., Heck, M.P., Stick, R.V., Bleriot, Y., Vasella, A., Gilbert, H.J., Davies, G.J.
Deposit date:2008-03-18
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2VQU
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STRUCTURAL AND BIOCHEMICAL EVIDENCE FOR A BOAT-LIKE TRANSITION STATE IN BETA-MANNOSIDASES
Descriptor:BETA-MANNOSIDASE, 1,2-ETHANEDIOL, (2R,3S,4R,5R)-5-(HYDROXYMETHYL)PIPERIDINE-2,3,4-TRIOL, ...
Authors:Tailford, L.E., Offen, W.A., Smith, N.L., Dumon, C., Moreland, C., Gratien, J., Heck, M.P., Stick, R.V., Bleriot, Y., Vasella, A., Gilbert, H.J., Davies, G.J.
Deposit date:2008-03-18
Release date:2008-04-01
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2VR4
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TRANSITION-STATE MIMICRY IN MANNOSIDE HYDROLYSIS: CHARACTERISATION OF TWENTY SIX INHIBITORS AND INSIGHT INTO BINDING FROM LINEAR FREE ENERGY RELATIONSHIPS AND 3-D STRUCTURE
Descriptor:BETA-MANNOSIDASE, (2Z,3R,4S,5R,6R)-2-[(4-aminobutyl)imino]-6-(hydroxymethyl)piperidine-3,4,5-triol, 1,2-ETHANEDIOL, ...
Authors:Tailford, L.E., Offen, W.A., Smith, N.L., Dumon, C., Moreland, C., Gratien, J., Heck, M.P., Stick, R.V., Bleriot, Y., Vasella, A., Gilbert, H.J., Davies, G.J.
Deposit date:2008-03-25
Release date:2008-04-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural and Biochemical Evidence for a Boat-Like Transition State in Beta-Mannosidases.
Nat.Chem.Biol., 4, 2008
2W66
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BTGH84 IN COMPLEX WITH HQ602
Descriptor:O-GLCNACASE BT_4395, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, CALCIUM ION, ...
Authors:He, Y., Davies, G.J.
Deposit date:2008-12-17
Release date:2009-04-14
Last modified:2011-10-26
Method:X-RAY DIFFRACTION (2.27 Å)
Cite:Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
2W67
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BTGH84 IN COMPLEX WITH FMA34
Descriptor:O-GLCNACASE BT_4395, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, GLYCEROL, ...
Authors:He, Y., Davies, G.J.
Deposit date:2008-12-17
Release date:2009-04-14
Last modified:2011-10-26
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
4MSS
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CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) BOUND TO (3S,4R,5R,6S)-3-ACETAMIDO-4,5,6-TRIHYDROXYAZEPANE
Descriptor:Beta-hexosaminidase 1, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide, GLYCEROL
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2013-09-18
Release date:2013-10-30
Last modified:2013-11-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Selective trihydroxyazepane NagZ inhibitors increase sensitivity of Pseudomonas aeruginosa to beta-lactams.
Chem.Commun.(Camb.), 49, 2013
5UTP
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CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) BOUND TO N-ETHYLBUTYRYL-PUGNAC
Descriptor:Beta-hexosaminidase, N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2017-02-15
Release date:2017-04-19
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017
5UTQ
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CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) BOUND TO PUGNAC
Descriptor:Beta-hexosaminidase, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2017-02-15
Release date:2017-04-19
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017
5UTR
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CRYSTAL STRUCTURE OF BURKHOLDERIA CENOCEPACIA FAMILY 3 GLYCOSIDE HYDROLASE (NAGZ) BOUND TO (3S,4R,5R,6S)-3-BUTYRYL-4,5,6-TRIHYDROXYAZEPANE
Descriptor:Beta-hexosaminidase, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]butanamide
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2017-02-15
Release date:2017-04-19
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017