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1H6M
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BU of 1h6m by Molmil
Covalent glycosyl-enzyme intermediate of hen egg white lysozyme
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION
著者Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G.
登録日2001-06-19
公開日2001-08-30
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate
Nature, 412, 2001
8P0L
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BU of 8p0l by Molmil
Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ...
著者Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C.
登録日2023-05-10
公開日2023-11-29
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Human O -GlcNAcase Uses a Preactivated Boat-skew Substrate Conformation for Catalysis. Evidence from X-ray Crystallography and QM/MM Metadynamics.
Acs Catalysis, 13, 2023
1UHV
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BU of 1uhv by Molmil
Crystal structure of beta-D-xylosidase from Thermoanaerobacterium saccharolyticum, a family 39 glycoside hydrolase
分子名称: 1,5-anhydro-2-deoxy-2-fluoro-D-xylitol, Beta-xylosidase
著者Yang, J.K, Yoon, H.J, Ahn, H.J, Il Lee, B, Pedelacq, J.D, Liong, E.C, Berendzen, J, Laivenieks, M, Vieille, C, Zeikus, G.J, Vocadlo, D.J, Withers, S.G, Suh, S.W.
登録日2003-07-11
公開日2003-12-23
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure of beta-D-xylosidase from Thermoanaerobacterium saccharolyticum, a family 39 glycoside hydrolase.
J.Mol.Biol., 335, 2004
1PX8
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BU of 1px8 by Molmil
Crystal structure of beta-D-xylosidase from Thermoanaerobacterium saccharolyticum, a family 39 glycoside hydrolase
分子名称: Beta-xylosidase, beta-D-xylopyranose
著者Yang, J.K, Yoon, H.J, Ahn, H.J, Il Lee, B, Pedelacq, J.D, Liong, E.C, Berendzen, J, Laivenieks, M, Vieille, C, Zeikus, G.J, Vocadlo, D.J, Withers, S.G, Suh, S.W.
登録日2003-07-03
公開日2003-12-23
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of beta-D-xylosidase from Thermoanaerobacterium saccharolyticum, a family 39 glycoside hydrolase.
J.Mol.Biol., 335, 2004
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
1ZUN
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BU of 1zun by Molmil
Crystal Structure of a GTP-Regulated ATP Sulfurylase Heterodimer from Pseudomonas syringae
分子名称: GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ...
著者Mougous, J.D, Lee, D.H, Hubbard, S.C, Schelle, M.W, Vocadlo, D.J, Berger, J.M, Bertozzi, C.R.
登録日2005-05-31
公開日2006-01-17
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis for g protein control of the prokaryotic ATP sulfurylase.
Mol.Cell, 21, 2006
2CHO
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BU of 2cho by Molmil
Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity
分子名称: ACETATE ION, CALCIUM ION, GLUCOSAMINIDASE, ...
著者Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J.
登録日2006-03-16
公開日2006-06-19
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
2CHN
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BU of 2chn by Molmil
Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex
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, CALCIUM ION, GLUCOSAMINIDASE, ...
著者Dennis, R.J, Taylor, E.J, Macauley, M.S, Stubbs, K.A, Turkenburg, J.P, Hart, S.J, Black, G.N, Vocadlo, D.J, Davies, G.J.
登録日2006-03-15
公開日2006-05-08
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity
Nat.Struct.Mol.Biol., 13, 2006
1JAK
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BU of 1jak by Molmil
Streptomyces plicatus beta-N-acetylhexosaminidase in Complex with (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloride (IFG)
分子名称: (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, Beta-N-acetylhexosaminidase, CHLORIDE ION, ...
著者Mark, B.L, Vocadlo, D.J, Zhao, D, Knapp, S, Withers, S.G, James, M.N.
登録日2001-05-30
公開日2001-11-21
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Biochemical and structural assessment of the 1-N-azasugar GalNAc-isofagomine as a potent family 20 beta-N-acetylhexosaminidase inhibitor.
J.Biol.Chem., 276, 2001
7OU6
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BU of 7ou6 by Molmil
Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines
分子名称: Protein O-GlcNAcase, ~{N}-[(3~{Z},6~{S},7~{R},8~{R},8~{a}~{S})-7,8-bis(oxidanyl)-3-(phenylmethyl)imino-1,5,6,7,8,8~{a}-hexahydro-[1,3]thiazolo[3,4-a]pyridin-6-yl]ethanamide
著者Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L.
登録日2021-06-11
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications
J.Am.Chem.Soc., 144, 2022
7OU8
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BU of 7ou8 by Molmil
Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ...
著者Males, A, Davies, G.J, Gonzalez-Cuesta, M, Mellet, C.O, Fernandez, J.M.G, Sidhu, P, Ashmus, R, Busmann, J, Vocadlo, D.J, Foster, L.
登録日2021-06-11
公開日2022-04-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications
J.Am.Chem.Soc., 144, 2022
5M7T
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BU of 5m7t by Molmil
Structure of human O-GlcNAc hydrolase with PugNAc type 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, 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 (2.6 Å)
主引用文献Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
5M7R
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BU of 5m7r by Molmil
Structure of human O-GlcNAc hydrolase
分子名称: 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 (2.35 Å)
主引用文献Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
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
5A55
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BU of 5a55 by Molmil
The native structure of GH101 from Streptococcus pneumoniae TIGR4
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ...
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2019-10-09
実験手法X-RAY DIFFRACTION (1.85 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
5A5A
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BU of 5a5a by Molmil
The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-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2020-07-29
実験手法X-RAY DIFFRACTION (1.75 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
5A56
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BU of 5a56 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-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2020-07-29
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
5ABG
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BU of 5abg by Molmil
Structure of GH84 with ligand
分子名称: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-1-[3-(4-fluorophenyl)propyl]-5-(hydroxymethyl)-3,4-bis(oxidanyl)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2019-10-23
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
5A57
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BU of 5a57 by Molmil
The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with PUGT
分子名称: (Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate, 1,2-ETHANEDIOL, CALCIUM ION, ...
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2020-07-29
実験手法X-RAY DIFFRACTION (1.46 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
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2016-01-27
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
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2020-07-29
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
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2019-10-23
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
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2016-01-27
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
5A58
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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2020-07-29
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

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