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5M7S
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BU of 5m7s by Molmil
Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG
分子名称: (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, Protein O-GlcNAcase
著者Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J.
登録日2016-10-28
公開日2017-03-29
最終更新日2017-08-30
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7U
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BU of 5m7u by Molmil
Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor
分子名称: 2-[(2~{R},3~{S},4~{R},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-[3-[3-(trifluoromethyl)phenyl]propyl]pyrrolidin-2-yl]-~{N}-methyl-ethanamide, Protein O-GlcNAcase
著者Roth, C, Chan, S, Offen, W.A, Hemsworth, G.R, Willems, L.I, King, D, Varghese, V, Britton, R, Vocadlo, D.J, Davies, G.J.
登録日2016-10-28
公開日2017-03-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
7LXG
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BU of 7lxg by Molmil
Homocitrullinated beta-lactamase OXA-48
分子名称: Beta-lactamase, CHLORIDE ION, SULFATE ION
著者Serrano-Negron, J.E, King, D.T, Vocadlo, D.J.
登録日2021-03-03
公開日2022-05-25
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Chemoproteomic identification of CO 2 -dependent lysine carboxylation in proteins.
Nat.Chem.Biol., 18, 2022
2YL9
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BU of 2yl9 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)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BETA-N-ACETYLHEXOSAMINIDASE
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2011-09-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.65 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
2YL8
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BU of 2yl8 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, BETA-N-ACETYLHEXOSAMINIDASE, ...
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2011-05-31
公開日2011-09-07
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.75 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
2YL5
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BU of 2yl5 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, BETA-N-ACETYLHEXOSAMINIDASE, MAGNESIUM ION
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2011-05-31
公開日2011-09-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.15 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
2YLL
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BU of 2yll 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-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, BETA-N-ACETYLHEXOSAMINIDASE, ...
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2011-06-02
公開日2011-09-21
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.85 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
2YA2
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BU of 2ya2 by Molmil
Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA in complex with an inhibitor.
分子名称: 1-DEOXYNOJIRIMYCIN, CALCIUM ION, PUTATIVE ALKALINE AMYLOPULLULANASE, ...
著者Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
登録日2011-02-17
公開日2011-04-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.37 Å)
主引用文献The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
2YA0
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BU of 2ya0 by Molmil
Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA
分子名称: CALCIUM ION, GLYCEROL, PUTATIVE ALKALINE AMYLOPULLULANASE, ...
著者Lammerts van Bueren, A, Ficko-Blean, E, Pluvinage, B, Hehemann, J.H, Higgins, M.A, Deng, L, Ogunniyi, A.D, Stroeher, U.H, Warry, N.E, Burke, R.D, Czjzek, M, Paton, J.C, Vocadlo, D.J, Boraston, A.B.
登録日2011-02-17
公開日2011-04-20
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
3QRY
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BU of 3qry by Molmil
Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight into the processing of N-linked glycans, Streptococcus pneumoniae SP_2144 1-deoxymannojirimycin complex
分子名称: 1,2-ETHANEDIOL, 1-DEOXYMANNOJIRIMYCIN, Putative uncharacterized protein
著者Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B.
登録日2011-02-18
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
J.Biol.Chem., 286, 2011
3QPF
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BU of 3qpf by Molmil
Analysis of a New Family of Widely Distributed Metal-independent alpha-Mannosidases Provides Unique Insight into the Processing of N-linked Glycans, Streptococcus pneumoniae SP_2144 apo-structure
分子名称: 1,2-ETHANEDIOL, Putative uncharacterized protein
著者Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J.
登録日2011-02-12
公開日2011-03-09
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Analysis of a New Family of Widely Distributed Metal-independent {alpha}-Mannosidases Provides Unique Insight into the Processing of N-Linked Glycans.
J.Biol.Chem., 286, 2011
5ABH
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BU of 5abh by Molmil
Structure of GH84 with ligand
分子名称: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
著者Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
登録日2015-08-05
公開日2015-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5ABE
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BU of 5abe by Molmil
Structure of GH84 with ligand
分子名称: 2-[(2S,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, O-GLCNACASE BT_4395
著者Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
登録日2015-08-05
公開日2015-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5ABF
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BU of 5abf by Molmil
Structure of GH84 with ligand
分子名称: 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-pyrrolidin-2-yl]-N-methyl-ethanamide, CALCIUM ION, ...
著者Bergeron-Brlek, M, Goodwin-Tindall, J, Cekic, N, Varghese, V, Zandberg, W.F, Shan, X, Roth, C, Chan, S, Davies, G.J, Vocadlo, D.J, Britton, R.
登録日2015-08-05
公開日2015-11-18
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors.
Angew.Chem.Int.Ed.Engl., 54, 2015
5A58
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BU of 5a58 by Molmil
The structure of GH101 D764N mutant from Streptococcus pneumoniae TIGR4 in complex with serinyl T-antigen
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
5A59
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BU of 5a59 by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with T-antigen
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ...
著者Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B.
登録日2015-06-16
公開日2015-09-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structural Analysis of a Family 101 Glycoside Hydrolase in Complex with Carbohydrates Reveals Insights Into its Mechanism.
J.Biol.Chem., 290, 2015
1M04
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BU of 1m04 by Molmil
Mutant Streptomyces plicatus beta-hexosaminidase (D313N) in complex with product (GlcNAc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G.
登録日2002-06-11
公開日2002-12-11
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state.
J.Biol.Chem., 277, 2002
1M03
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BU of 1m03 by Molmil
Mutant Streptomyces plicatus beta-hexosaminidase (D313A) in complex with product (GlcNAc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Williams, S.J, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G.
登録日2002-06-11
公開日2002-12-11
最終更新日2021-10-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state.
J.Biol.Chem., 277, 2002
1M01
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BU of 1m01 by Molmil
Wildtype Streptomyces plicatus beta-hexosaminidase in complex with product (GlcNAc)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者J Williams, S, Mark, B.L, Vocadlo, D.J, James, M.N.G, Withers, S.G.
登録日2002-06-11
公開日2003-01-21
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Aspartate 313 in the Streptomyces plicatus hexosaminidase plays a critical role in substrate-assisted catalysis by orienting the 2-acetamido group and stabilizing the transition state.
J.Biol.Chem., 277, 2002
5FQE
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BU of 5fqe by Molmil
The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BETA-N-ACETYLGALACTOSAMINIDASE, BROMIDE ION, ...
著者Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B.
登録日2015-12-10
公開日2016-03-30
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016
5FQG
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BU of 5fqg by Molmil
The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-3)-beta-D-galactopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, FORMIC ACID
著者Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B.
登録日2015-12-10
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016
5FKY
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BU of 5fky by Molmil
Structure of a hydrolase bound with an inhibitor
分子名称: (3aR,5R,6S,7R,7aR)-2-amino-5-(hydroxymethyl)-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol, GLYCEROL, O-GLCNACASE BT_4395
著者Cekic, N, Heinonen, J.E, Stubbs, K.A, Roth, C, McEachern, E.J, Davies, G.J, Vocadlo, D.J.
登録日2015-10-20
公開日2016-01-27
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Analysis of transition state mimicry by tight binding aminothiazoline inhibitors provides insight into catalysis by humanO-GlcNAcase.
Chem Sci, 7, 2016
5FQH
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BU of 5fqh by Molmil
The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, PHOSPHATE ION
著者Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B.
登録日2015-12-10
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016
5FR0
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BU of 5fr0 by Molmil
The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens
分子名称: 2-deoxy-2-[(difluoroacetyl)amino]-beta-D-galactopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, PHOSPHATE ION
著者Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B.
登録日2015-12-14
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016
5FQF
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BU of 5fqf by Molmil
The details of glycolipid glycan hydrolysis by the structural analysis of a family 123 glycoside hydrolase from Clostridium perfringens
分子名称: 2-acetamido-2-deoxy-beta-D-galactopyranose, BETA-N-ACETYLGALACTOSAMINIDASE, FORMIC ACID
著者Noach, I, Pluvinage, B, Laurie, C, Abe, K.T, Alteen, M, Vocadlo, D.J, Boraston, A.B.
登録日2015-12-10
公開日2016-03-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献The Details of Glycolipid Glycan Hydrolysis by the Structural Analysis of a Family 123 Glycoside Hydrolase from Clostridium Perfringens
J.Mol.Biol., 428, 2016

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