5OXD
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COMPLEX OF A C. PERFRINGENS O-GLCNACASE WITH A FRAGMENT HIT
Descriptor:O-GlcNAcase NagJ, CADMIUM ION, 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine
Authors:Rafie, K., van Aalten, D.M.F.
Deposit date:2017-09-06
Release date:2018-05-16
Last modified:2018-05-30
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry.
ACS Chem. Biol., 13, 2018
5MI4
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BTGH84 MUTANT WITH COVALENT MODIFICATION BY MA3
Descriptor:O-GlcNAcase BT_4395, ~{N}-(4-ethoxyquinazolin-2-yl)propanamide, 1,2-ETHANEDIOL, ...
Authors:Darby, J.F., Davies, G.J., Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI5
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BTGH84 MUTANT WITH COVALENT MODIFICATION BY MA3 IN COMPLEX WITH PUGNAC
Descriptor:O-GlcNAcase BT_4395, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ~{N}-(4-ethoxyquinazolin-2-yl)propanamide, ...
Authors:Darby, J.F., Davies, G.J., Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2017-12-06
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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BTGH84 MUTANT WITH COVALENT MODIFICATION BY MA3 IN COMPLEX WITH THIAMET G
Descriptor:O-GlcNAcase BT_4395, (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, ~{N}-(4-ethoxyquinazolin-2-yl)propanamide, ...
Authors:Darby, J.F., Davies, G.J., Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5MI7
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BTGH84 MUTANT WITH COVALENT MODIFICATION BY MA4 IN COMPLEX WITH PUGNAC
Descriptor:O-GlcNAcase BT_4395, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ~{N}-(4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)propanamide, ...
Authors:Darby, J.F., Davies, G.J., Hubbard, R.E.
Deposit date:2016-11-27
Release date:2017-11-01
Last modified:2017-12-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Increase of enzyme activity through specific covalent modification with fragments.
Chem Sci, 8, 2017
5FCZ
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STREPTOMYCES PLICATUS N-ACETYL-BETA-HEXOSAMINIDASE IN COMPLEX WITH THIO-NAGLUCAL (TNX)
Descriptor:B-N-acetylhexosaminidase, N-[(2R,3S,4R)-2-(hydroxymethyl)-3,4-bis(oxidanyl)-3,4-dihydro-2H-pyran-5-yl]ethanethioamide, SULFATE ION, ...
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2017-11-01
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
5FD0
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STREPTOMYCES PLICATUS N-ACETYL-BETA-HEXOSAMINIDASE IN COMPLEX WITH NAGLUCAL
Descriptor:B-N-acetylhexosaminidase, N-ACETYL-D-GLUCOSAMINE, SULFATE ION, ...
Authors:Vadlamani, G., Mark, B.L.
Deposit date:2015-12-15
Release date:2016-10-26
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:N-Acetyl glycals are tight-binding and environmentally insensitive inhibitors of hexosaminidases.
Chem.Commun.(Camb.), 52, 2016
5FKY
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STRUCTURE OF A HYDROLASE BOUND WITH AN INHIBITOR
Descriptor:O-GLCNACASE BT_4395, GLYCEROL, (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
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:2018-08-29
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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STRUCTURE OF A HYDROLASE WITH AN INHIBITOR
Descriptor:O-GLCNACASE BT_4395, 1,2-ETHANEDIOL, (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, ...
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:2018-08-29
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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STRUCTURE OF A HYDROLASE WITH AN INHIBITOR
Descriptor:O-GLCNACASE BT_4395, (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, ...
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:2018-08-29
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
5ABE
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STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395, 2-[(2S,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:2016-01-27
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
5ABF
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STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395, 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, ...
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:2016-01-27
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
5ABG
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STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395, 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, ...
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:2016-01-27
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
5ABH
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STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395, CHLORIDE ION, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, ...
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:2016-01-27
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
5BXP
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LNBASE IN COMPLEX WITH LNB-LOGNAC
Descriptor:Lacto-N-biosidase, BETA-D-GALACTOSE, LOGNAC, ...
Authors:Ito, T., Arakawa, T., Fushinobu, S.
Deposit date:2015-06-09
Release date:2015-09-09
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
5BXR
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LNBASE IN COMPLEX WITH LNB-NHACDNJ
Descriptor:Lacto-N-biosidase, BETA-D-GALACTOSE, 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, ...
Authors:Ito, T., Arakawa, T., Fushinobu, S.
Deposit date:2015-06-09
Release date:2015-09-09
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
5BXS
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LNBASE IN COMPLEX WITH LNB-NHACCAS
Descriptor:Lacto-N-biosidase, BETA-D-GALACTOSE, 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, ...
Authors:Ito, T., Arakawa, T., Fushinobu, S.
Deposit date:2015-06-09
Release date:2015-09-09
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
5BXT
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LNBASE IN COMPLEX WITH LNB-NHACAUS
Descriptor:Lacto-N-biosidase, SULFATE ION, N-{[(1R,2R,3R,7S,7aR)-1,2,7-trihydroxyhexahydro-1H-pyrrolizin-3-yl]methyl}acetamide, ...
Authors:Ito, T., Arakawa, T., Fushinobu, S.
Deposit date:2015-06-09
Release date:2015-09-09
Last modified:2015-10-14
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Gaining insight into the catalysis by GH20 lacto-N-biosidase using small molecule inhibitors and structural analysis
Chem.Commun.(Camb.), 51, 2015
4ZXL
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CPOGA D298N IN COMPLEX WITH DROSOPHILA HCF -DERIVED THR-O-GLCNAC PEPTIDE
Descriptor:NAG-PRO-SER-THR-ALA-Thr-O-GlcNAc containing peptide from drosophila HCF, O-GlcNAcase NagJ, N-ACETYL-D-GLUCOSAMINE, ...
Authors:Selvan, N., van Aalten, D.M.F.
Deposit date:2015-05-20
Release date:2015-09-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development.
Biochem.J., 470, 2015
4UR9
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STRUCTURE OF LIGAND BOUND GLYCOSYLHYDROLASE
Descriptor:O-GLCNACASE BT_4395, 4-ethoxyquinazoline, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, ...
Authors:Darby, J.F., Landstroem, J., Roth, C., He, Y., Schultz, M., Davies, G.J., Hubbard, R.E.
Deposit date:2014-06-27
Release date:2015-02-25
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of Selective Small-Molecule Activators of a Bacterial Glycoside Hydrolase.
Angew.Chem.Int.Ed.Engl., 53, 2014
4PYS
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THE CRYSTAL STRUCTURE OF BETA-N-ACETYLHEXOSAMINIDASE FROM BACTEROIDES FRAGILIS NCTC 9343
Descriptor:beta-N-acetylhexosaminidase, ZINC ION, GLYCEROL, ...
Authors:Tan, K., Hatzos-Skintges, C., Clancy, S., Joachimiak, A., Midwest Center for Structural Genomics (MCSG)
Deposit date:2014-03-27
Release date:2014-06-18
Method:X-RAY DIFFRACTION (1.822 Å)
Cite:The crystal structure of beta-N-acetylhexosaminidase from Bacteroides fragilis NCTC 9343
To be Published
4C7D
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STRUCTURE AND ACTIVITY OF THE GH20 BETA-N-ACETYLHEXOSAMINIDASE FROM STREPTOMYCES COELICOLOR A3(2)
Descriptor:BETA-N-ACETYLHEXOSAMINIDASE, 1,2-ETHANEDIOL
Authors:Nguyenthi, N., Offen, W.A., Davies, G.J., Doucet, N.
Deposit date:2013-09-20
Release date:2014-03-12
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Activity of the Streptomyces Coelicolor A3(2) Beta-N-Acetylhexosaminidase Provides Further Insight Into Gh20 Family Catalysis and Inhibition.
Biochemistry, 53, 2014
4C7F
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STRUCTURE AND ACTIVITY OF THE GH20 BETA-N-ACETYLHEXOSAMINIDASE FROM STREPTOMYCES COELICOLOR A3(2)
Descriptor:BETA-N-ACETYLHEXOSAMINIDASE, 1,2-ETHANEDIOL, 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE
Authors:Nguyen Thi, N., Offen, W.A., Davies, G.J., Doucet, N.
Deposit date:2013-09-20
Release date:2014-03-12
Last modified:2014-04-09
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and Activity of the Streptomyces Coelicolor A3(2) Beta-N-Acetylhexosaminidase Provides Further Insight Into Gh20 Family Catalysis and Inhibition.
Biochemistry, 53, 2014
4C7G
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STRUCTURE AND ACTIVITY OF THE GH20 BETA-N-ACETYLHEXOSAMINIDASE FROM STREPTOMYCES COELICOLOR A3(2)
Descriptor:BETA-N-ACETYLHEXOSAMINIDASE, 2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, 1,2-ETHANEDIOL
Authors:Nguyenthi, N., Offen, W.A., Davies, G.J., Doucet, N.
Deposit date:2013-09-20
Release date:2014-03-12
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and Activity of the Streptomyces Coelicolor A3(2) Beta-N-Acetylhexosaminidase Provides Further Insight Into Gh20 Family Catalysis and Inhibition.
Biochemistry, 53, 2014
4JAW
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CRYSTAL STRUCTURE OF LACTO-N-BIOSIDASE FROM BIFIDOBACTERIUM BIFIDUM COMPLEXED WITH LNB-THIAZOLINE
Descriptor:Lacto-N-biosidase, BETA-D-GALACTOSE, 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, ...
Authors:Ito, T., Katayama, T., Stubbs, K.A., Fushinobu, S.
Deposit date:2013-02-19
Release date:2013-03-20
Last modified:2013-07-10
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal structures of a glycoside hydrolase family 20 lacto-N-biosidase from Bifidobacterium bifidum
J.Biol.Chem., 288, 2013
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