1H6M
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![BU of 1h6m by Molmil](/molmil-images/mine/1h6m) | Covalent glycosyl-enzyme intermediate of hen egg white lysozyme | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-deoxy-2-fluoro-alpha-D-glucopyranose, LYSOZYME C, SODIUM ION | Authors: | Vocadlo, D.J, Davies, G.J, Laine, R, Withers, S.G. | Deposit date: | 2001-06-19 | Release date: | 2001-08-30 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.64 Å) | Cite: | Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate Nature, 412, 2001
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8P0L
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![BU of 8p0l by Molmil](/molmil-images/mine/8p0l) | Crystal structure of human O-GlcNAcase in complex with an S-linked CKII peptide | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYSTEINE, Protein O-GlcNAcase, ... | Authors: | Males, A, Davies, G.J, Calvelo, M, Alteen, M.G, Vocadlo, D.J, Rovira, C. | Deposit date: | 2023-05-10 | Release date: | 2023-11-29 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | 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
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1UHV
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![BU of 1uhv by Molmil](/molmil-images/mine/1uhv) | Crystal structure of beta-D-xylosidase from Thermoanaerobacterium saccharolyticum, a family 39 glycoside hydrolase | Descriptor: | 1,5-anhydro-2-deoxy-2-fluoro-D-xylitol, Beta-xylosidase | Authors: | 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. | Deposit date: | 2003-07-11 | Release date: | 2003-12-23 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal structure of beta-D-xylosidase from Thermoanaerobacterium saccharolyticum, a family 39 glycoside hydrolase. J.Mol.Biol., 335, 2004
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7OU6
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![BU of 7ou6 by Molmil](/molmil-images/mine/7ou6) | Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2021-06-11 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.41 Å) | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
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7OU8
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![BU of 7ou8 by Molmil](/molmil-images/mine/7ou8) | Human O-GlcNAc hydrolase in complex with DNJNAc-thiazolidines | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, O-GlcNAcase BT_4395, ... | Authors: | 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. | Deposit date: | 2021-06-11 | Release date: | 2022-04-13 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Bicyclic Picomolar OGA Inhibitors Enable Chemoproteomic Mapping of Its Endogenous Post-translational Modifications J.Am.Chem.Soc., 144, 2022
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1PX8
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![BU of 1px8 by Molmil](/molmil-images/mine/1px8) | Crystal structure of beta-D-xylosidase from Thermoanaerobacterium saccharolyticum, a family 39 glycoside hydrolase | Descriptor: | Beta-xylosidase, beta-D-xylopyranose | Authors: | 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. | Deposit date: | 2003-07-03 | Release date: | 2003-12-23 | Last modified: | 2024-03-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Crystal structure of beta-D-xylosidase from Thermoanaerobacterium saccharolyticum, a family 39 glycoside hydrolase. J.Mol.Biol., 335, 2004
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7LXG
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![BU of 7lxg by Molmil](/molmil-images/mine/7lxg) | |
1ZUN
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![BU of 1zun by Molmil](/molmil-images/mine/1zun) | Crystal Structure of a GTP-Regulated ATP Sulfurylase Heterodimer from Pseudomonas syringae | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER, ... | Authors: | Mougous, J.D, Lee, D.H, Hubbard, S.C, Schelle, M.W, Vocadlo, D.J, Berger, J.M, Bertozzi, C.R. | Deposit date: | 2005-05-31 | Release date: | 2006-01-17 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Molecular basis for g protein control of the prokaryotic ATP sulfurylase. Mol.Cell, 21, 2006
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2CHO
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![BU of 2cho by Molmil](/molmil-images/mine/2cho) | Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity | Descriptor: | ACETATE ION, CALCIUM ION, GLUCOSAMINIDASE, ... | Authors: | 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. | Deposit date: | 2006-03-16 | Release date: | 2006-06-19 | Last modified: | 2011-07-13 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity Nat.Struct.Mol.Biol., 13, 2006
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2CHN
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![BU of 2chn by Molmil](/molmil-images/mine/2chn) | Bacteroides thetaiotaomicron hexosaminidase with O-GlcNAcase activity- NAG-thiazoline complex | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2006-03-15 | Release date: | 2006-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure and Mechanism of a Bacterial B-Glucosaminidase Having O-Glcnacase Activity Nat.Struct.Mol.Biol., 13, 2006
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5M7R
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![BU of 5m7r by Molmil](/molmil-images/mine/5m7r) | Structure of human O-GlcNAc hydrolase | Descriptor: | Protein O-GlcNAcase | Authors: | 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. | Deposit date: | 2016-10-28 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5M7T
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![BU of 5m7t by Molmil](/molmil-images/mine/5m7t) | Structure of human O-GlcNAc hydrolase with PugNAc type 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, Protein O-GlcNAcase | Authors: | 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. | Deposit date: | 2016-10-28 | Release date: | 2017-03-29 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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5M7S
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![BU of 5m7s by Molmil](/molmil-images/mine/5m7s) | Structure of human O-GlcNAc hydrolase with bound transition state analog ThiametG | Descriptor: | (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 | Authors: | 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. | Deposit date: | 2016-10-28 | Release date: | 2017-03-29 | Last modified: | 2017-08-30 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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1JAK
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![BU of 1jak by Molmil](/molmil-images/mine/1jak) | Streptomyces plicatus beta-N-acetylhexosaminidase in Complex with (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloride (IFG) | Descriptor: | (2R,3R,4S,5R)-2-ACETAMIDO-3,4-DIHYDROXY-5-HYDROXYMETHYL-PIPERIDINE, Beta-N-acetylhexosaminidase, CHLORIDE ION, ... | Authors: | Mark, B.L, Vocadlo, D.J, Zhao, D, Knapp, S, Withers, S.G, James, M.N. | Deposit date: | 2001-05-30 | Release date: | 2001-11-21 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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
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5M7U
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![BU of 5m7u by Molmil](/molmil-images/mine/5m7u) | Structure of human O-GlcNAc hydrolase with new iminocyclitol type inhibitor | Descriptor: | 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 | Authors: | 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. | Deposit date: | 2016-10-28 | Release date: | 2017-03-29 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Structural and functional insight into human O-GlcNAcase. Nat. Chem. Biol., 13, 2017
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3QRY
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![BU of 3qry by Molmil](/molmil-images/mine/3qry) | 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 | Descriptor: | 1,2-ETHANEDIOL, 1-DEOXYMANNOJIRIMYCIN, Putative uncharacterized protein | Authors: | Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2011-02-18 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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
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3QPF
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![BU of 3qpf by Molmil](/molmil-images/mine/3qpf) | 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 | Descriptor: | 1,2-ETHANEDIOL, Putative uncharacterized protein | Authors: | Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J. | Deposit date: | 2011-02-12 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | 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
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3QT9
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![BU of 3qt9 by Molmil](/molmil-images/mine/3qt9) | Analysis of a new family of widely distributed metal-independent alpha mannosidases provides unique insight into the processing of N-linked glycans, Clostridium perfringens CPE0426 complexed with alpha-1,6-linked 1-thio-alpha-mannobiose | Descriptor: | 1,2-ETHANEDIOL, Putative uncharacterized protein CPE0426, alpha-D-mannopyranose-(1-6)-6-thio-alpha-D-mannopyranose | Authors: | Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2011-02-22 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | 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
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3QT3
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![BU of 3qt3 by Molmil](/molmil-images/mine/3qt3) | Analysis of a New Family of Widely Distributed Metal-independent alpha-Mannosidases Provides Unique Insight into the Processing of N-linked Glycans, Clostridium perfringens CPE0426 apo-structure | Descriptor: | 1,2-ETHANEDIOL, Putative uncharacterized protein CPE0426 | Authors: | Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2011-02-22 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | 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
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3QSP
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![BU of 3qsp by Molmil](/molmil-images/mine/3qsp) | 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 non-productive substrate complex with alpha-1,6-mannobiose | Descriptor: | 1,2-ETHANEDIOL, Putative uncharacterized protein, alpha-D-mannopyranose-(1-6)-beta-D-mannopyranose | Authors: | Gregg, K.J, Zandberg, W.F, Hehemann, J.-H, Whitworth, G.E, Deng, L.E, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2011-02-21 | Release date: | 2011-03-09 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | 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
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5A55
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![BU of 5a55 by Molmil](/molmil-images/mine/5a55) | The native structure of GH101 from Streptococcus pneumoniae TIGR4 | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, ENDO-ALPHA-N-ACETYLGALACTOSAMINIDASE, ... | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-06-16 | Release date: | 2015-09-02 | Last modified: | 2019-10-09 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | 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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5A5A
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![BU of 5a5a by Molmil](/molmil-images/mine/5a5a) | The structure of GH101 E796Q mutant from Streptococcus pneumoniae TIGR4 in complex with PNP-T-antigen | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-06-16 | Release date: | 2015-09-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 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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5A56
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![BU of 5a56 by Molmil](/molmil-images/mine/5a56) | The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with 1-O-methyl-T-antigen | Descriptor: | 1,2-ETHANEDIOL, CALCIUM ION, CITRIC ACID, ... | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-06-16 | Release date: | 2015-09-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | 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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5ABG
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![BU of 5abg by Molmil](/molmil-images/mine/5abg) | Structure of GH84 with ligand | Descriptor: | 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, ... | Authors: | 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. | Deposit date: | 2015-08-05 | Release date: | 2015-11-18 | Last modified: | 2019-10-23 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | A Convenient Approach to Stereoisomeric Iminocyclitols: Generation of Potent Brain-Permeable Oga Inhibitors. Angew.Chem.Int.Ed.Engl., 54, 2015
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5A57
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![BU of 5a57 by Molmil](/molmil-images/mine/5a57) | The structure of GH101 from Streptococcus pneumoniae TIGR4 in complex with PUGT | Descriptor: | (Z)-[(3R,4R,5R,6R)-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-ylidene]amino] N-phenylcarbamate, 1,2-ETHANEDIOL, CALCIUM ION, ... | Authors: | Gregg, K.J, Suits, M.D.L, Deng, L, Vocadlo, D.J, Boraston, A.B. | Deposit date: | 2015-06-16 | Release date: | 2015-09-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (1.46 Å) | Cite: | 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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