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2WMK
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BU of 2wmk by Molmil
Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 (Sp3GH98) in complex with the A-LewisY pentasaccharide blood group antigen.
Descriptor: FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose-(1-4)-[alpha-L-fucopyranose-(1-3)]2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B.
Deposit date:2009-06-30
Release date:2009-07-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
2WMH
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Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae TIGR4 in complex with the H- disaccharide blood group antigen.
Descriptor: FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose
Authors:Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B.
Deposit date:2009-06-30
Release date:2009-07-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
2WMI
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Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 in complex with the A-trisaccharide blood group antigen.
Descriptor: FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-[2-acetamido-2-deoxy-alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
Authors:Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B.
Deposit date:2009-06-30
Release date:2009-07-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
2WMJ
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BU of 2wmj by Molmil
Crystal structure of the catalytic module of a family 98 glycoside hydrolase from Streptococcus pneumoniae SP3-BS71 (Sp3GH98) in complex with the B-trisaccharide blood group antigen.
Descriptor: FUCOLECTIN-RELATED PROTEIN, alpha-L-fucopyranose-(1-2)-[alpha-D-galactopyranose-(1-3)]beta-D-galactopyranose
Authors:Higgins, M.A, Whitworth, G.E, El Warry, N, Randriantsoa, M, Samain, E, Burke, R.D, Vocadlo, D.J, Boraston, A.B.
Deposit date:2009-06-30
Release date:2009-07-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Differential Recognition and Hydrolysis of Host Carbohydrate-Antigens by Streptococcus Pneumoniae Family 98 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
2WAR
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BU of 2war by Molmil
Hen Egg White Lysozyme E35Q chitopentaose complex
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LYSOZYME C
Authors:Davies, G.J, Withers, S.G, Vocadlo, D.J.
Deposit date:2009-02-13
Release date:2010-02-09
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Chitopentaose Complex of a Mutant Hen Egg-White Lysozyme Displays No Distortion of the -1 Sugar Away from a 4C1 Chair Conformation
Aust.J.Chem., 62, 2009
7NTF
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BU of 7ntf by Molmil
Cryo-EM structure of unliganded O-GlcNAc transferase
Descriptor: Isoform 1 of UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Meek, R.W, Blaza, J.N, Davies, G.J.
Deposit date:2021-03-09
Release date:2021-11-17
Last modified:2021-11-24
Method:ELECTRON MICROSCOPY (5.32 Å)
Cite:Cryo-EM structure provides insights into the dimer arrangement of the O-linked beta-N-acetylglucosamine transferase OGT.
Nat Commun, 12, 2021
6PM9
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BU of 6pm9 by Molmil
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
4WKM
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BU of 4wkm by Molmil
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
3KOT
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BU of 3kot by Molmil
Structure of the Citrobacter freundii effector binding domain containing three amino acid substitutions: T103V, S221A and Y264F
Descriptor: GLYCEROL, HTH-type transcriptional activator ampR
Authors:Mark, B.L, Balcewich, M.D.
Deposit date:2009-11-13
Release date:2010-05-26
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of the AmpR Effector Binding Domain Provides Insight into the Molecular Regulation of Inducible AmpC beta-Lactamase.
J.Mol.Biol., 400, 2010
3KOS
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BU of 3kos by Molmil
Structure of the AmpR effector binding domain from Citrobacter freundii
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, GLYCEROL, HTH-type transcriptional activator ampR
Authors:Mark, B.L, Balcewich, M.D.
Deposit date:2009-11-13
Release date:2010-05-26
Last modified:2018-01-24
Method:X-RAY DIFFRACTION (1.83 Å)
Cite:Crystal Structure of the AmpR Effector Binding Domain Provides Insight into the Molecular Regulation of Inducible AmpC beta-Lactamase.
J.Mol.Biol., 400, 2010
1HP4
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BU of 1hp4 by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES PLICATUS BETA-N-ACETYLHEXOSAMINIDASE
Descriptor: BETA-N-ACETYLHEXOSAMINIDASE, CHLORIDE ION, GLYCEROL, ...
Authors:Mark, B.L.
Deposit date:2000-12-12
Release date:2001-04-04
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystallographic evidence for substrate-assisted catalysis in a bacterial beta-hexosaminidase.
J.Biol.Chem., 276, 2001
1HP5
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BU of 1hp5 by Molmil
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
6TKA
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BU of 6tka by Molmil
Crystal structure of human O-GlcNAc transferase bound to substrate 7 and a peptide from HCF-1 pro-repeat 2 (11-26)
Descriptor: 3-[2,2-bis(fluoranyl)-10,12-dimethyl-1,3-diaza-2$l^{4}-boratricyclo[7.3.0.0^{3,7}]dodeca-4,6,9,11-tetraen-4-yl]-~{N}-ethyl-propanamide, HCF-1 pro-repeat 2 (11-26), UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2019-11-28
Release date:2020-03-04
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:A Direct Fluorescent Activity Assay for Glycosyltransferases Enables Convenient High-Throughput Screening: Application to O-GlcNAc Transferase.
Angew.Chem.Int.Ed.Engl., 59, 2020
2J4G
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BU of 2j4g by Molmil
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
2J47
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BU of 2j47 by Molmil
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
8CM9
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BU of 8cm9 by Molmil
Structure of human O-GlcNAc transferase in complex with UDP and tP11
Descriptor: PHE-MET-PRO-LYS-TYR-SER-ILE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
Authors:Meek, R.W, Davies, G.J.
Deposit date:2023-02-18
Release date:2023-10-04
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Phage display uncovers a sequence motif that drives polypeptide binding to a conserved regulatory exosite of O-GlcNAc transferase.
Proc.Natl.Acad.Sci.USA, 120, 2023
2JIW
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BU of 2jiw by Molmil
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
7JW4
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BU of 7jw4 by Molmil
Crystal structure of PdGH110B in complex with D-galactose
Descriptor: CHLORIDE ION, Glycoside hydrolase family 110, NICKEL (II) ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2020-08-24
Release date:2020-11-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.342 Å)
Cite:The structure of a family 110 glycoside hydrolase provides insight into the hydrolysis of alpha-1,3-galactosidic linkages in lambda-carrageenan and blood group antigens.
J.Biol.Chem., 295, 2020
7JWF
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BU of 7jwf by Molmil
Crystal structure of PdGH110B D344N in complex with alpha-(1,3)-galactobiose
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ...
Authors:Hettle, A.G, Boraston, A.B.
Deposit date:2020-08-25
Release date:2020-11-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.187 Å)
Cite:The structure of a family 110 glycoside hydrolase provides insight into the hydrolysis of alpha-1,3-galactosidic linkages in lambda-carrageenan and blood group antigens.
J.Biol.Chem., 295, 2020
6DTE
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BU of 6dte by Molmil
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
2OXN
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BU of 2oxn by Molmil
Vibrio cholerae family 3 glycoside hydrolase (NagZ) in complex with PUGNAc
Descriptor: Beta-hexosaminidase, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Authors:Balcewich, M, Mark, B.L.
Deposit date:2007-02-20
Release date:2007-06-12
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Small molecule inhibitors of a glycoside hydrolase attenuate inducible AmpC-mediated beta-lactam resistance.
J.Biol.Chem., 282, 2007
6MKQ
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BU of 6mkq by Molmil
Carbapenemase VCC-1 bound to avibactam
Descriptor: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase
Authors:Mark, B.L, Vadlamani, G.
Deposit date:2018-09-26
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam.
Antimicrob. Agents Chemother., 63, 2019
6MK6
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BU of 6mk6 by Molmil
Carbapenemase VCC-1 from Vibrio cholerae N14-02106
Descriptor: Beta-lactamase
Authors:Mark, B.L, Vadlamani, G.
Deposit date:2018-09-25
Release date:2019-01-30
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular Basis for the Potent Inhibition of the Emerging Carbapenemase VCC-1 by Avibactam.
Antimicrob. Agents Chemother., 63, 2019
3GS6
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BU of 3gs6 by Molmil
Vibrio Cholerea family 3 glycoside hydrolase (NagZ)in complex with N-butyryl-PUGNAc
Descriptor: Beta-hexosaminidase, GLYCEROL, [[(3R,4R,5S,6R)-3-(BUTANOYLAMINO)-4,5-DIHYDROXY-6-(HYDROXYMETHYL)OXAN-2-YLIDENE]AMINO] N-PHENYLCARBAMATE
Authors:Balcewich, M.D, Mark, B.L.
Deposit date:2009-03-26
Release date:2009-06-30
Last modified:2023-09-06
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
3GSM
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BU of 3gsm by Molmil
Vibrio cholerae family 3 glycoside hydrolase (NagZ) bound to N-Valeryl-PUGNAc
Descriptor: Beta-hexosaminidase, GLYCEROL, [[(3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-3-(pentanoylamino)oxan-2-ylidene]amino] N-phenylcarbamate
Authors:Balcewich, M.D, Mark, B.L.
Deposit date:2009-03-27
Release date:2009-06-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.4 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

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