2VCB
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![BU of 2vcb by Molmil](/molmil-images/mine/2vcb) | Family 89 Glycoside Hydrolase from Clostridium perfringens in complex with PUGNAc | Descriptor: | ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE | Authors: | Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2007-09-19 | Release date: | 2008-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib. Proc.Natl.Acad.Sci.USA, 105, 2008
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2VCC
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![BU of 2vcc by Molmil](/molmil-images/mine/2vcc) | Family 89 Glycoside Hydrolase from Clostridium perfringens | Descriptor: | ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, GLYCEROL, ... | Authors: | Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2007-09-19 | Release date: | 2008-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib. Proc.Natl.Acad.Sci.USA, 105, 2008
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2W92
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![BU of 2w92 by Molmil](/molmil-images/mine/2w92) | Structure of a Streptococcus pneumoniae family 85 glycoside hydrolase, Endo-D, 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, ENDO-BETA-N-ACETYLGLUCOSAMINIDASE D, PENTAETHYLENE GLYCOL | Authors: | Abbott, D.W, Macauley, M.S, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2009-01-21 | Release date: | 2009-01-27 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Streptococcus Pneumoniae Endohexosaminidase D, Structural and Mechanistic Insight Into Substrate-Assisted Catalysis in Family 85 Glycoside Hydrolases. J.Biol.Chem., 284, 2009
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2VC9
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![BU of 2vc9 by Molmil](/molmil-images/mine/2vc9) | Family 89 Glycoside Hydrolase from Clostridium perfringens in complex with 2-acetamido-1,2-dideoxynojirmycin | Descriptor: | 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, ... | Authors: | Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2007-09-19 | Release date: | 2008-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.36 Å) | Cite: | Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib. Proc.Natl.Acad.Sci.USA, 105, 2008
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2YLA
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![BU of 2yla by Molmil](/molmil-images/mine/2yla) | INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Pluvinage, B, Higgins, M.A, Abbott, D.W, Robb, C, Dalia, A.B, Deng, L, Weiser, J.N, Parsons, T.B, Fairbanks, A.J, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2011-06-01 | Release date: | 2011-09-07 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis. Structure, 19, 2011
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1HP4
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1HP5
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![BU of 1hp5 by Molmil](/molmil-images/mine/1hp5) | STREPTOMYCES PLICATUS BETA-N-ACETYLHEXOSAMINIDASE COMPLEXED WITH INTERMEDIATE ANALOUGE 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-ACETYLHEXOSAMINIDASE, CHLORIDE ION, ... | Authors: | Mark, B.L. | Deposit date: | 2000-12-12 | Release date: | 2001-04-04 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystallographic evidence for substrate-assisted catalysis in a bacterial beta-hexosaminidase. J.Biol.Chem., 276, 2001
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6DTE
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![BU of 6dte by Molmil](/molmil-images/mine/6dte) | GlcNAc-inspired cyclophellitol bound to NagZ | Descriptor: | 2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide, Beta-hexosaminidase | Authors: | Mark, B.L, Winogrodzki, J.L. | Deposit date: | 2018-06-15 | Release date: | 2019-04-24 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.929 Å) | Cite: | A mechanism-based GlcNAc-inspired cyclophellitol inactivator of the peptidoglycan recycling enzyme NagZ reverses resistance to beta-lactams in Pseudomonas aeruginosa. Chem. Commun. (Camb.), 54, 2018
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4WKM
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![BU of 4wkm by Molmil](/molmil-images/mine/4wkm) | AmpR effector binding domain from Citrobacter freundii bound to UDP-MurNAc-pentapeptide | Descriptor: | ALA-FGA-API-DAL-DAL, GLYCEROL, LysR family transcriptional regulator, ... | Authors: | Vadlamani, G, Reeve, T.M, Mark, B.L. | Deposit date: | 2014-10-02 | Release date: | 2014-12-17 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | The beta-Lactamase Gene Regulator AmpR Is a Tetramer That Recognizes and Binds the d-Ala-d-Ala Motif of Its Repressor UDP-N-acetylmuramic Acid (MurNAc)-pentapeptide. J.Biol.Chem., 290, 2015
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6PM9
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![BU of 6pm9 by Molmil](/molmil-images/mine/6pm9) | Crystal structure of the core catalytic domain of human O-GlcNAcase bound to MK-8719 | Descriptor: | (3aR,5S,6S,7R,7aR)-5-(difluoromethyl)-2-(ethylamino)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, O-GlcNAcase TIM-barrel domain, O-GlcNAcase stalk domain | Authors: | Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J. | Deposit date: | 2019-07-01 | Release date: | 2019-09-18 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.86 Å) | Cite: | Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies. J.Med.Chem., 62, 2019
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3QBW
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![BU of 3qbw by Molmil](/molmil-images/mine/3qbw) | Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to adenosine diphosphate | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, Anhydro-N-acetylmuramic acid kinase, SULFATE ION | Authors: | Bacik, J.P, Martin, D.R, Mark, B.L. | Deposit date: | 2011-01-14 | Release date: | 2011-02-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | Molecular Basis of 1,6-Anhydro Bond Cleavage and Phosphoryl Transfer by Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase. J.Biol.Chem., 286, 2011
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3QBX
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![BU of 3qbx by Molmil](/molmil-images/mine/3qbx) | Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to 1,6-anhydro-n-actetylmuramic acid | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, SULFATE ION | Authors: | Bacik, J.P, Martin, D.R, Mark, B.L. | Deposit date: | 2011-01-14 | Release date: | 2011-02-02 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Basis of 1,6-Anhydro Bond Cleavage and Phosphoryl Transfer by Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase. J.Biol.Chem., 286, 2011
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2J47
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![BU of 2j47 by Molmil](/molmil-images/mine/2j47) | 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: | 2023-12-13 | 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
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2J4G
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![BU of 2j4g by Molmil](/molmil-images/mine/2j4g) | 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: | 2023-12-13 | 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
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2JIW
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![BU of 2jiw by Molmil](/molmil-images/mine/2jiw) | 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: | 2024-05-08 | 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
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4MSS
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![BU of 4mss by Molmil](/molmil-images/mine/4mss) | 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, GLYCEROL, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide | Authors: | Vadlamani, G, Mark, B.L. | Deposit date: | 2013-09-18 | Release date: | 2013-10-30 | Last modified: | 2023-09-20 | 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
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4MO5
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![BU of 4mo5 by Molmil](/molmil-images/mine/4mo5) | Crystal structure of AnmK bound to AMPPCP and anhMurNAc | Descriptor: | 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, ... | Authors: | Bacik, J.P, Mark, B.L. | Deposit date: | 2013-09-11 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle. J.Biol.Chem., 289, 2014
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4N39
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4N3B
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![BU of 4n3b by Molmil](/molmil-images/mine/4n3b) | Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26)E10Q and UDP-5SGlcNAc | Descriptor: | (2S,3R,4R,5S,6R)-3-(acetylamino)-4,5-dihydroxy-6-(hydroxymethyl)tetrahydro-2H-thiopyran-2-yl [(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate, Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit | Authors: | Lazarus, M.B, Herr, W, Walker, S. | Deposit date: | 2013-10-06 | Release date: | 2014-01-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | HCF-1 is cleaved in the active site of O-GlcNAc transferase. Science, 342, 2013
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4N3A
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4N3C
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![BU of 4n3c by Molmil](/molmil-images/mine/4n3c) | |
4MO4
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![BU of 4mo4 by Molmil](/molmil-images/mine/4mo4) | Crystal structure of AnmK bound to AMPPCP | Descriptor: | Anhydro-N-acetylmuramic acid kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER | Authors: | Bacik, J.P, Mark, B.L. | Deposit date: | 2013-09-11 | Release date: | 2014-01-01 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle. J.Biol.Chem., 289, 2014
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4GVF
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4GVG
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4GYJ
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