5ABF
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STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.169)
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
Modification date: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
2CHN
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BACTEROIDES THETAIOTAOMICRON HEXOSAMINIDASE WITH O-GLCNACASE ACTIVITY - NAG-THIAZOLINE COMPLEX
Descriptor:GLUCOSAMINIDASE (E.C.3.2.1.52)
Authors:Dennis, R.J., Taylor, E.J., Macauley, M.S., Stubbs, K.A., Turkenburg, J.P., Hart, S.J., Black, G.N., Vocadlo, D.J., Davies, G.J.
Deposit date:2006-03-15
Release date:2006-05-08
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
2CHO
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BACTEROIDES THETAIOTAOMICRON HEXOSAMINIDASE WITH O-GLCNACASE ACTIVITY
Descriptor:GLUCOSAMINIDASE (E.C.3.2.1.52)
Authors:Dennis, R.J., Taylor, E.J., Macauley, M.S., Stubbs, K.A., Turkenburg, J.P., Hart, S.J., Black, G.N., Vocadlo, D.J., Davies, G.J.
Deposit date:2006-03-16
Release date:2006-06-19
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
2J47
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BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH A IMIDAZOLE-PUGNAC HYBRID INHIBITOR
Descriptor:GLUCOSAMINIDASE (E.C.3.2.1.52)
Authors:Dennis, R.J., Davies, G.J.
Deposit date:2006-08-25
Release date:2006-10-03
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor
Chem. Commun., 42, 2006
2J4G
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BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH N-BUTYL-THIAZOLINE INHIBITOR
Descriptor:HYALURONOGLUCOSAMINIDASE (E.C.3.2.1.52)
Authors:Dennis, R.J., Davies, G.J.
Deposit date:2006-08-31
Release date:2007-01-30
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Analysis of Pugnac and Nag-Thiazoline as Transition State Analogues for Human O-Glcnacase: Mechanistic and Structural Insights Into Inhibitor Selectivity and Transition State Poise.
J.Am.Chem.Soc., 129, 2007
2JIW
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BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH 2-ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:Dennis, R.J., Davies, G.J.
Deposit date:2007-07-02
Release date:2007-08-07
Modification date:2009-02-24
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:A 1-Acetamido Derivative of 6-Epi-Valienamine: An Inhibitor of a Diverse Group of Beta-N-Acetylglucosaminidases.
Org.Biomol.Chem., 5, 2007
2VVN
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BTGH84 IN COMPLEX WITH NH-BUTYLTHIAZOLINE
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2008-06-10
Release date:2008-07-01
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:A Potent Mechanism-Inspired O-Glcnacase Inhibitor that Blocks Phosphorylation of Tau in Vivo.
Nat.Chem.Biol., 4, 2008
2VVS
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BTGH84 STRUCTURE IN COMPLEX WITH PUGNAC
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:Macauley, M.S., Bubb, A., Martinez-Fleites, C., Davies, G.J., Vocadlo, D.J.
Deposit date:2008-06-11
Release date:2008-09-30
Modification date:2011-08-24
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Elevation of Global O-Glcnac Levels in 3T3-L1 Adipocytes by Selective Inhibition of O-Glcnacase Does not Induce Insulin Resistance
J.Biol.Chem., 283, 2008
2W4X
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BTGH84 IN COMPLEX WITH STZ
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Bubb, A., Martinez-Fleites, C., Davies, G.J.
Deposit date:2008-12-02
Release date:2009-02-24
Modification date:2009-03-31
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Structural Insight Into the Mechanism of Streptozotocin Inhibition of O-Glcnacase.
Carbohydr.Res., 344, 2009
2W66
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BTGH84 IN COMPLEX WITH HQ602
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2008-12-17
Release date:2009-04-14
Modification date: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 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2008-12-17
Release date:2009-04-14
Modification date: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
2WCA
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BTGH84 IN COMPLEX WITH N-BUTYL PUGNAC
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2009-03-10
Release date:2009-06-16
Modification date:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Insight Into a Strategy for Attenuating Ampc- Mediated Beta-Lactam Resistance: Structural Basis for Selective Inhibition of the Glycoside Hydrolase Nagz.
Protein Sci., 18, 2009
2WZH
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BTGH84 D242N IN COMPLEX WITH MEUMB-DERIVED OXAZOLINE
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2009-11-30
Release date:2010-01-26
Modification date:2011-10-26
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase
J.Am.Chem.Soc., 132, 2010
2WZI
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BTGH84 D243N IN COMPLEX WITH 5F-OXAZOLINE
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2009-11-30
Release date:2010-01-26
Modification date:2011-10-26
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase
J.Am.Chem.Soc., 132, 2010
2X0H
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BTGH84 MICHAELIS COMPLEX
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2009-12-08
Release date:2010-01-26
Modification date:2011-09-21
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Visualizing the Reaction Coordinate of an O-Glcnac Hydrolase
J.Am.Chem.Soc., 132, 2010
2XJ7
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BTGH84 IN COMPLEX WITH 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2010-07-02
Release date:2010-09-29
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of O-Glcnacase Using a Potent and Cell-Permeable Inhibitor Does not Induce Insulin Resistance in 3T3-L1 Adipocytes.
Chem.Biol., 17, 2010
2XM1
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BTGH84 IN COMPLEX WITH N-ACETYL GLUCONOLACTAM
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2010-07-22
Release date:2011-08-03
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibition of a Bacterial O-Glcnacase Homologue by Lactone and Lactam Derivatives: Structural, Kinetic and Thermodynamic Analyses.
Amino Acids, 40, 2011
2XM2
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BTGH84 IN COMPLEX WITH LOGNAC
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52)
Authors:He, Y., Davies, G.J.
Deposit date:2010-07-22
Release date:2011-08-03
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Inhibition of a Bacterial O-Glcnacase Homologue by Lactone and Lactam Derivatives: Structural, Kinetic and Thermodynamic Analyses.
Amino Acids, 40, 2011
4AIS
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A COMPLEX STRUCTURE OF BTGH84
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52, 3.2.1.169)
Authors:He, Y., Davies, G.J.
Deposit date:2012-02-13
Release date:2012-06-20
Modification date:2012-08-29
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
4AIU
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A COMPLEX STRUCTURE OF BTGH84
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.52, 3.2.1.169)
Authors:He, Y., Davies, G.J.
Deposit date:2012-02-13
Release date:2012-06-20
Modification date:2012-08-29
Method:X-RAY DIFFRACTION (2.25 Å)
Cite: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
4UR9
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STRUCTURE OF LIGAND BOUND GLYCOSYLHYDROLASE
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.169)
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
5ABE
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STRUCTURE OF GH84 WITH LIGAND
Descriptor: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
Modification date: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
5ABG
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STRUCTURE OF GH84 WITH LIGAND
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.169, 3.2.1.52)
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
Modification date: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 (E.C.3.2.1.169, 3.2.1.52)
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
Modification date: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
5FKY
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STRUCTURE OF A HYDROLASE BOUND WITH AN INHIBITOR
Descriptor:O-GLCNACASE BT_4395 (E.C.3.2.1.169)
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
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure-Activity Relationships of Aminothiazoline Inhibitors of Human O-Glcnacase Reveals They are Sub-Nanomolar Transition State Analogues
To be Published
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