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4GVH
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BU of 4gvh by Molmil
Crystal structure of Salmonella typhimurium family 3 glycoside hydrolase (NagZ) covalently bound to 5-fluoro-GlcNAc.
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-fluoro-N-acetyl-alpha-D-glucosamine, Beta-hexosaminidase
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-08-30
Release date:2012-12-19
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GYK
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BU of 4gyk by Molmil
Crystal structure of mutant (D318N) bacillus subtilis family 3 glycoside hydrolase (nagz) in complex with glcnac-murnac (space group P1211)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, Glycoside Hydrolase NagZ
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-09-05
Release date:2012-12-19
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GVI
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BU of 4gvi by Molmil
Crystal structure of mutant (D248N) Salmonella typhimurium family 3 glycoside hydrolase (NagZ) in complex with GlcNAc-1,6-anhMurNAc
Descriptor: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-08-30
Release date:2012-12-19
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4HZM
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BU of 4hzm by Molmil
Crystal structure of Salmonella typhimurium family 3 glycoside hydrolase (NagZ) bound to N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-hexosaminidase, N-[(3S,4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)piperidin-3-yl]butanamide
Authors:Bacik, J.P, Mark, B.L.
Deposit date:2012-11-15
Release date:2013-06-19
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:The Development of Selective Inhibitors of NagZ: Increased Susceptibility of Gram-Negative Bacteria to beta-Lactams.
Chembiochem, 14, 2013
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
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
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
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
7QQH
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BU of 7qqh by Molmil
Crystal structure of MYORG (D520N) in complex with Gal-a1,4-Glc
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2022-01-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7QQG
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BU of 7qqg by Molmil
Crystal structure of MYORG bound to 1-deoxygalactonojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2022-01-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7QQF
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BU of 7qqf by Molmil
Crystal structure of unliganded MYORG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2022-01-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
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:2024-07-10
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
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
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
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
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
8AX3
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BU of 8ax3 by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl fluoride
Descriptor: (1~{S},2~{R},3~{S},6~{S})-6-fluoranylcyclohex-4-ene-1,2,3-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2022-08-30
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
8AWK
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BU of 8awk by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with D-carbaxylosyl chloride
Descriptor: (2~{S},3~{S},4~{R})-cyclohex-5-ene-1,2,3,4-tetrol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2022-08-30
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
8AWR
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BU of 8awr by Molmil
Structure of recombinant human beta-glucocerebrosidase in complex with L-carbaxylosyl chloride
Descriptor: (1~{S},2~{R},3~{S},6~{S})-6-chloranylcyclohex-4-ene-1,2,3-triol, (1~{S},2~{S},3~{S},4~{R})-cyclohexane-1,2,3,4-tetrol, 1,2-ETHANEDIOL, ...
Authors:Rowland, R.J, Davies, G.J.
Deposit date:2022-08-30
Release date:2024-03-13
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Single turnover covalent inhibitors for functional chaperoning of lysosomal glycoside hydrolases
To be published
8BAC
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BU of 8bac by Molmil
Crystal structure of human heparanase in complex with competitive inhibitor GD05
Descriptor: (3S,4R,5R)-4,5-dihydroxypiperidine-3-carboxylic acid, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Armstrong, Z, Davies, G.J.
Deposit date:2022-10-11
Release date:2023-03-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Synthesis of Uronic Acid 1-Azasugars as Putative Inhibitors of alpha-Iduronidase, beta-Glucuronidase and Heparanase.
Chembiochem, 24, 2023
5UTQ
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BU of 5utq by Molmil
Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to PUGNAc
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-hexosaminidase, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Authors:Vadlamani, G, Mark, B.L.
Deposit date:2017-02-15
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017
5UTP
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BU of 5utp by Molmil
Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to N-ethylbutyryl-PUGNAc
Descriptor: Beta-hexosaminidase, N-[(2Z,3R,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-{[(phenylcarbamoyl)oxy]imino}tetrahydro-2H-pyran-3-yl]-2-ethylbutanamide
Authors:Vadlamani, G, Mark, B.L.
Deposit date:2017-02-15
Release date:2017-04-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Conformational flexibility of the glycosidase NagZ allows it to bind structurally diverse inhibitors to suppress beta-lactam antibiotic resistance.
Protein Sci., 26, 2017

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