2CBI
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STRUCTURE OF THE CLOSTRIDIUM PERFRINGENS NAGJ FAMILY 84 GLYCOSIDE HYDROLASE, A HOMOLOGUE OF HUMAN O-GLCNACASE
Descriptor:CHLORIDE ION, GAMMA-BUTYROLACTONE, GLYCEROL, ...
Authors:Rao, F.V., Dorfmueller, H.C., Villa, F., Allwood, M., Eggleston, I.M., van Aalten, D.M.F.
Deposit date:2006-01-04
Release date:2006-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural Insights Into the Mechanism and Inhibition of Eukaryotic O-Glcnac Hydrolysis.
Embo J., 25, 2006
2CBJ
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STRUCTURE OF THE CLOSTRIDIUM PERFRINGENS NAGJ FAMILY 84 GLYCOSIDE HYDROLASE, A HOMOLOGUE OF HUMAN O-GLCNACASE IN COMPLEX WITH PUGNAC
Descriptor:CHLORIDE ION, HYALURONIDASE, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Authors:Rao, F.V., Dorfmueller, H.C., Villa, F., Allwood, M., Eggleston, I.M., van Aalten, D.M.F.
Deposit date:2006-01-05
Release date:2006-02-13
Last modified:2017-07-05
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural Insights Into the Mechanism and Inhibition of Eukaryotic O-Glcnac Hydrolysis.
Embo J., 25, 2006
2CHN
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BACTEROIDES THETAIOTAOMICRON HEXOSAMINIDASE WITH O-GLCNACASE ACTIVITY- NAG-THIAZOLINE COMPLEX
Descriptor:3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, CALCIUM ION, GLUCOSAMINIDASE, ...
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
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:ACETATE ION, CALCIUM ION, GLUCOSAMINIDASE, ...
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
Last modified:2011-07-13
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:(5R,6R,7R,8S)-8-(ACETYLAMINO)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-N-PHENYL-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDINE-2-CARBOXAMIDE, GLUCOSAMINIDASE, GLYCEROL
Authors:Dennis, R.J., Davies, G.J.
Deposit date:2006-08-25
Release date:2006-10-03
Last modified:2011-07-13
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:(3AR,5R,6S,7R,7AR)-5-(HYDROXYMETHYL)-2-PROPYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]THIAZOLE-6,7-DIOL, ACETATE ION, GLYCEROL, ...
Authors:Dennis, R.J., Davies, G.J.
Deposit date:2006-08-31
Release date:2007-01-30
Last modified:2011-07-13
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
2J62
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STRUCTURE OF A BACTERIAL O-GLCNACASE IN COMPLEX WITH GLCNACSTATIN
Descriptor:CHLORIDE ION, HYALURONIDASE, N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-1,5,6,7,8,8A-HEXAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-2-METHYLPROPANAMIDE
Authors:Dorfmueller, H.C., Borodkin, V.S., Schimpl, M., Shepherd, S.M., Shpiro, N.A., van Aalten, D.M.F.
Deposit date:2006-09-22
Release date:2007-02-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Glcnacstatin: A Picomolar, Selective O-Glcnacase Inhibitor that Modulates Intracellular O- Glcnacylation Levels.
J.Am.Chem.Soc., 128, 2006
2JIW
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BACTEROIDES THETAIOTAOMICRON GH84 O-GLCNACASE IN COMPLEX WITH 2- ACETYLAMINO-2-DEOXY-1-EPIVALIENAMINE
Descriptor:N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE, O-GLCNACASE BT_4395
Authors:Dennis, R.J., Davies, G.J.
Deposit date:2007-07-02
Release date:2007-08-07
Last modified:2011-07-13
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
2V5C
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FAMILY 84 GLYCOSIDE HYDROLASE FROM CLOSTRIDIUM PERFRINGENS, 2.1 ANGSTROM STRUCTURE
Descriptor:CACODYLATE ION, CALCIUM ION, O-GLCNACASE NAGJ, ...
Authors:Ficko-Blean, E., Gregg, K.J., Adams, J.J., Hehemann, J.H., Smith, S.J., Czjzek, M., Boraston, A.B.
Deposit date:2008-10-02
Release date:2009-01-27
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Portrait of an Enzyme: A Complete Structural Analysis of a Multi-Modular Beta-N-Acetylglucosaminidase from Clostridium Perfringens
J.Biol.Chem., 284, 2009
2VUR
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CHEMICAL DISSECTION OF THE LINK BETWEEN STREPTOZOTOCIN, O-GLCNAC AND PANCREATIC CELL DEATH
Descriptor:2-deoxy-2-{[(2-hydroxy-1-methylhydrazino)carbonyl]amino}-beta-D-glucopyranose, O-GLCNACASE NAGJ, SULFATE ION
Authors:Pathak, S., Dorfmueller, H.C., Borodkin, V.S., van Aalten, D.M.F.
Deposit date:2008-05-29
Release date:2009-02-10
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chemical Dissection of the Link between Streptozotocin, O-Glcnac, and Pancreatic Cell Death.
Chem.Biol., 15, 2008
2VVN
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BTGH84 IN COMPLEX WITH NH-BUTYLTHIAZOLINE
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, AMMONIUM ION, GLYCEROL, ...
Authors:He, Y., Davies, G.J.
Deposit date:2008-06-10
Release date:2008-07-01
Last modified: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-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE, O-GLCNACASE BT_4395
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
Last modified: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:CALCIUM ION, GLYCEROL, O-GLCNACASE BT_4395, ...
Authors:He, Y., Bubb, A., Martinez-Fleites, C., Davies, G.J.
Deposit date:2008-12-02
Release date:2009-02-24
Last modified:2011-07-13
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:CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ...
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:CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ...
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
2WB5
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GLCNACSTATINS ARE NANOMOLAR INHIBITORS OF HUMAN O-GLCNACASE INDUCING CELLULAR HYPER-O-GLCNACYLATION
Descriptor:(5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, CHLORIDE ION, O-GLCNACASE NAGJ, ...
Authors:Dorfmueller, H.C., Borodkin, V.S., Schimpl, M., van Aalten, D.M.F.
Deposit date:2009-02-20
Release date:2009-03-31
Last modified:2011-12-21
Method:X-RAY DIFFRACTION (2.31 Å)
Cite:Glcnacstatins are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation
Biochem.J., 420, 2009
2WCA
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BTGH84 IN COMPLEX WITH N-BUTYL PUGNAC
Descriptor:CALCIUM ION, O-GLCNACASE BT_4395, [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE
Authors:He, Y., Davies, G.J.
Deposit date:2009-03-10
Release date:2009-06-16
Last modified:2017-03-29
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:2-METHYL-4,5-DIHYDRO-(1,2-DIDEOXY-ALPHA-D-GLUCOPYRANOSO)[2,1-D]-1,3-OXAZOLE, CALCIUM ION, GLYCEROL, ...
Authors:He, Y., Davies, G.J.
Deposit date:2009-11-30
Release date:2010-01-26
Last modified: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:(3AS,5S,6S,7R,7AR)-5-FLUORO-5-(HYDROXYMETHYL)-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL, CALCIUM ION, GLYCEROL, ...
Authors:He, Y., Davies, G.J.
Deposit date:2009-11-30
Release date:2010-01-26
Last modified: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:3,4-DIFLUOROPHENYL 2-DEOXY-2-[(DIFLUOROACETYL)AMINO]-BETA-D-GLUCOPYRANOSIDE, CALCIUM ION, GLYCEROL, ...
Authors:He, Y., Davies, G.J.
Deposit date:2009-12-08
Release date:2010-01-26
Last modified: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
2X0Y
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SCREENING-BASED DISCOVERY OF DRUG-LIKE O-GLCNACASE INHIBITOR SCAFFOLDS
Descriptor:7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, O-GLCNACASE NAGJ
Authors:Dorfmueller, H.C., van Aalten, D.M.F.
Deposit date:2009-12-18
Release date:2010-01-12
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Screening-Based Discovery of Drug-Like O-Glcnacase Inhibitor Scaffolds
FEBS Lett., 584, 2010
2XJ7
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BTGH84 IN COMPLEX WITH 6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE
Descriptor:6-ACETAMIDO-6-DEOXY-CASTANOSPERMINE, CALCIUM ION, O-GLCNACASE BT_4395
Authors:He, Y., Davies, G.J.
Deposit date:2010-07-02
Release date:2010-09-29
Last modified:2011-07-13
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:GLYCEROL, N-ACETYL GLUCONOLACTAM, O-GLCNACASE BT_4395
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:GLYCEROL, LOGNAC, O-GLCNACASE BT_4395
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
2XPK
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CELL-PENETRANT, NANOMOLAR O-GLCNACASE INHIBITORS SELECTIVE AGAINST LYSOSOMAL HEXOSAMINIDASES
Descriptor:N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE, O-GLCNACASE NAGJ
Authors:Dorfmueller, H.C., Borodkin, V.S., Schimpl, M., Zheng, X., Kime, R., Read, K.D., van Aalten, D.M.F.
Deposit date:2010-08-26
Release date:2011-03-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases.
Chem.Biol, 17, 2010
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