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2VCB
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BU of 2vcb by Molmil
Family 89 Glycoside Hydrolase from Clostridium perfringens in complex with PUGNAc
分子名称: ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
著者Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B.
登録日2007-09-19
公開日2008-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib.
Proc.Natl.Acad.Sci.USA, 105, 2008
2VCC
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BU of 2vcc by Molmil
Family 89 Glycoside Hydrolase from Clostridium perfringens
分子名称: ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, GLYCEROL, ...
著者Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B.
登録日2007-09-19
公開日2008-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib.
Proc.Natl.Acad.Sci.USA, 105, 2008
2W92
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BU of 2w92 by Molmil
Structure of a Streptococcus pneumoniae family 85 glycoside hydrolase, Endo-D, in complex with NAG-thiazoline.
分子名称: 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
著者Abbott, D.W, Macauley, M.S, Vocadlo, D.J, Boraston, A.B.
登録日2009-01-21
公開日2009-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Streptococcus Pneumoniae Endohexosaminidase D, Structural and Mechanistic Insight Into Substrate-Assisted Catalysis in Family 85 Glycoside Hydrolases.
J.Biol.Chem., 284, 2009
2VC9
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BU of 2vc9 by Molmil
Family 89 Glycoside Hydrolase from Clostridium perfringens in complex with 2-acetamido-1,2-dideoxynojirmycin
分子名称: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, ...
著者Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B.
登録日2007-09-19
公開日2008-03-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.36 Å)
主引用文献Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib.
Proc.Natl.Acad.Sci.USA, 105, 2008
2YLA
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BU of 2yla by Molmil
INHIBITION OF THE PNEUMOCOCCAL VIRULENCE FACTOR STRH AND MOLECULAR INSIGHTS INTO N-GLYCAN RECOGNITION AND HYDROLYSIS
分子名称: 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, ...
著者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.
登録日2011-06-01
公開日2011-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Inhibition of the Pneumococcal Virulence Factor Strh and Molecular Insights Into N-Glycan Recognition and Hydrolysis.
Structure, 19, 2011
1HP4
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BU of 1hp4 by Molmil
CRYSTAL STRUCTURE OF STREPTOMYCES PLICATUS BETA-N-ACETYLHEXOSAMINIDASE
分子名称: BETA-N-ACETYLHEXOSAMINIDASE, CHLORIDE ION, GLYCEROL, ...
著者Mark, B.L.
登録日2000-12-12
公開日2001-04-04
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献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
分子名称: 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, ...
著者Mark, B.L.
登録日2000-12-12
公開日2001-04-04
最終更新日2023-08-09
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystallographic evidence for substrate-assisted catalysis in a bacterial beta-hexosaminidase.
J.Biol.Chem., 276, 2001
6DTE
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BU of 6dte by Molmil
GlcNAc-inspired cyclophellitol bound to NagZ
分子名称: 2,2,2-trifluoro-N-[(1R,2R,3R,4R,5R,6R)-2,3,5,6-tetrahydroxy-4-(hydroxymethyl)cyclohexyl]acetamide, Beta-hexosaminidase
著者Mark, B.L, Winogrodzki, J.L.
登録日2018-06-15
公開日2019-04-24
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献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
4WKM
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BU of 4wkm by Molmil
AmpR effector binding domain from Citrobacter freundii bound to UDP-MurNAc-pentapeptide
分子名称: ALA-FGA-API-DAL-DAL, GLYCEROL, LysR family transcriptional regulator, ...
著者Vadlamani, G, Reeve, T.M, Mark, B.L.
登録日2014-10-02
公開日2014-12-17
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献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
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
分子名称: (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
著者Klein, D.J, Selnick, H.G, Duffy, J.L, McEachern, E.J.
登録日2019-07-01
公開日2019-09-18
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.86 Å)
主引用文献Discovery of MK-8719, a Potent O-GlcNAcase Inhibitor as a Potential Treatment for Tauopathies.
J.Med.Chem., 62, 2019
3QBW
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BU of 3qbw by Molmil
Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to adenosine diphosphate
分子名称: ADENOSINE-5'-DIPHOSPHATE, Anhydro-N-acetylmuramic acid kinase, SULFATE ION
著者Bacik, J.P, Martin, D.R, Mark, B.L.
登録日2011-01-14
公開日2011-02-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献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
3QBX
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BU of 3qbx by Molmil
Crystal structure of pseudomonas aeruginosa 1,6-anhydro-n-actetylmuramic acid kinase (ANMK) bound to 1,6-anhydro-n-actetylmuramic acid
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, SULFATE ION
著者Bacik, J.P, Martin, D.R, Mark, B.L.
登録日2011-01-14
公開日2011-02-02
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
2J47
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BU of 2j47 by Molmil
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with a imidazole-pugnac hybrid inhibitor
分子名称: (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
著者Dennis, R.J, Davies, G.J.
登録日2006-08-25
公開日2006-10-03
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Inhibition of O-Glcnacase by a Gluco-Configured Nagstatin and a Pugnac-Imidazole Hybrid Inhibitor
Chem. Commun., 42, 2006
2J4G
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BU of 2j4g by Molmil
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with n-butyl- thiazoline inhibitor
分子名称: (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, ...
著者Dennis, R.J, Davies, G.J.
登録日2006-08-31
公開日2007-01-30
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献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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BU of 2jiw by Molmil
Bacteroides thetaiotaomicron GH84 O-GlcNAcase in complex with 2- Acetylamino-2-deoxy-1-epivalienamine
分子名称: N-[(1S,2R,5R,6R)-2-AMINO-5,6-DIHYDROXY-4-(HYDROXYMETHYL)CYCLOHEX-3-EN-1-YL]ACETAMIDE, O-GLCNACASE BT_4395
著者Dennis, R.J, Davies, G.J.
登録日2007-07-02
公開日2007-08-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A 1-Acetamido Derivative of 6-Epi-Valienamine: An Inhibitor of a Diverse Group of Beta-N-Acetylglucosaminidases.
Org.Biomol.Chem., 5, 2007
4MSS
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BU of 4mss by Molmil
Crystal structure of Burkholderia cenocepacia family 3 glycoside hydrolase (NagZ) bound to (3S,4R,5R,6S)-3-acetamido-4,5,6-trihydroxyazepane
分子名称: Beta-hexosaminidase 1, GLYCEROL, N-[(3S,4R,5R,6S)-4,5,6-trihydroxyazepan-3-yl]acetamide
著者Vadlamani, G, Mark, B.L.
登録日2013-09-18
公開日2013-10-30
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Selective trihydroxyazepane NagZ inhibitors increase sensitivity of Pseudomonas aeruginosa to beta-lactams.
Chem.Commun.(Camb.), 49, 2013
4MO5
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BU of 4mo5 by Molmil
Crystal structure of AnmK bound to AMPPCP and anhMurNAc
分子名称: 2-(2-ACETYLAMINO-4-HYDROXY-6,8-DIOXA-BICYCLO[3.2.1]OCT-3-YLOXY)-PROPIONIC ACID, Anhydro-N-acetylmuramic acid kinase, MAGNESIUM ION, ...
著者Bacik, J.P, Mark, B.L.
登録日2013-09-11
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
4N39
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BU of 4n39 by Molmil
Crystal structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (11-26)
分子名称: Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
著者Lazarus, M.B, Herr, W, Walker, S.
登録日2013-10-06
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4N3B
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BU of 4n3b by Molmil
Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26)E10Q and UDP-5SGlcNAc
分子名称: (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
著者Lazarus, M.B, Herr, W, Walker, S.
登録日2013-10-06
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4N3A
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BU of 4n3a by Molmil
Crystal Structure of human O-GlcNAc transferase bound to a peptide from HCF-1 pro-repeat 2 (1-26)E10A
分子名称: Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
著者Lazarus, M.B, Herr, W, Walker, S.
登録日2013-10-06
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4N3C
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BU of 4n3c by Molmil
Crystal Structure of human O-GlcNAc Transferase bound to a peptide from HCF-1 pro-repeat2(1-26) and UDP-GlcNAc
分子名称: Host cell factor 1, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
著者Lazarus, M.B, Herr, W, Walker, S.
登録日2013-10-06
公開日2014-01-01
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献HCF-1 is cleaved in the active site of O-GlcNAc transferase.
Science, 342, 2013
4MO4
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BU of 4mo4 by Molmil
Crystal structure of AnmK bound to AMPPCP
分子名称: Anhydro-N-acetylmuramic acid kinase, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER
著者Bacik, J.P, Mark, B.L.
登録日2013-09-11
公開日2014-01-01
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献Conformational Itinerary of Pseudomonas aeruginosa 1,6-Anhydro-N-acetylmuramic Acid Kinase during Its Catalytic Cycle.
J.Biol.Chem., 289, 2014
4GVF
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BU of 4gvf by Molmil
Crystal structure of Salmonella typhimurium family 3 glycoside hydrolase (NagZ) bound to GlcNAc
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-alpha-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Bacik, J.P, Mark, B.L.
登録日2012-08-30
公開日2012-12-19
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GVG
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BU of 4gvg by Molmil
Crystal structure of Salmonella typhimurium family 3 glycoside hydrolase (NagZ)
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, Beta-hexosaminidase
著者Bacik, J.P, Mark, B.L.
登録日2012-08-30
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012
4GYJ
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BU of 4gyj by Molmil
Crystal structure of mutant (D318N) bacillus subtilis family 3 glycoside hydrolase (nagz) in complex with glcnac-murnac (space group P1)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-N-acetyl-alpha-muramic acid, Uncharacterized lipoprotein ybbD
著者Bacik, J.P, Mark, B.L.
登録日2012-09-05
公開日2012-12-19
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Active Site Plasticity within the Glycoside Hydrolase NagZ Underlies a Dynamic Mechanism of Substrate Distortion.
Chem.Biol., 19, 2012

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