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1H6M
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BU of 1h6m by Molmil
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:2024-05-01
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Catalysis by Hen Egg-White Lysozyme Proceeds Via a Covalent Intermediate
Nature, 412, 2001
2VCB
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BU of 2vcb by Molmil
Family 89 Glycoside Hydrolase from Clostridium perfringens in complex with PUGNAc
Descriptor: ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, O-(2-ACETAMIDO-2-DEOXY D-GLUCOPYRANOSYLIDENE) AMINO-N-PHENYLCARBAMATE
Authors:Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, GLYCEROL, ...
Authors:Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib.
Proc.Natl.Acad.Sci.USA, 105, 2008
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
Descriptor: 2-ACETAMIDO-1,2-DIDEOXYNOJIRMYCIN, ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, ...
Authors:Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib.
Proc.Natl.Acad.Sci.USA, 105, 2008
5M7U
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BU of 5m7u by Molmil
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:2024-10-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
2YA0
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BU of 2ya0 by Molmil
Catalytic Module of the Multi-modular glycogen-degrading pneumococcal virulence factor SpuA
Descriptor: CALCIUM ION, GLYCEROL, PUTATIVE ALKALINE AMYLOPULLULANASE, ...
Authors: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.
Deposit date:2011-02-17
Release date:2011-04-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:The Conformation and Function of a Multimodular Glycogen-Degrading Pneumococcal Virulence Factor.
Structure, 19, 2011
8P0L
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BU of 8p0l by Molmil
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
Last modified:2024-10-16
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
4GZ6
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BU of 4gz6 by Molmil
Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc
Descriptor: (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, SULFATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S.
Deposit date:2012-09-06
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.98 Å)
Cite:Structural snapshots of the reaction coordinate for O-GlcNAc transferase.
Nat.Chem.Biol., 8, 2012
4GYY
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BU of 4gyy by Molmil
Crystal structure of human O-GlcNAc Transferase with UDP-5SGlcNAc and a peptide substrate
Descriptor: (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, Casein kinase II subunit alpha, SULFATE ION, ...
Authors:Lazarus, M.B, Jiang, J, Gloster, T.M, Zandberg, W.F, Vocadlo, D.J, Walker, S.
Deposit date:2012-09-05
Release date:2012-10-31
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Structural snapshots of the reaction coordinate for O-GlcNAc transferase.
Nat.Chem.Biol., 8, 2012
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
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
3QT3
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BU of 3qt3 by Molmil
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
3QSP
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BU of 3qsp 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 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
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
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
3QT9
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BU of 3qt9 by Molmil
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
1UHV
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BU of 1uhv by Molmil
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:2024-11-06
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
7LXG
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BU of 7lxg by Molmil
Homocitrullinated beta-lactamase OXA-48
Descriptor: Beta-lactamase, CHLORIDE ION, SULFATE ION
Authors:Serrano-Negron, J.E, King, D.T, Vocadlo, D.J.
Deposit date:2021-03-03
Release date:2022-05-25
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Chemoproteomic identification of CO 2 -dependent lysine carboxylation in proteins.
Nat.Chem.Biol., 18, 2022
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)
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:2024-10-30
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
1PX8
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BU of 1px8 by Molmil
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
7OU6
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BU of 7ou6 by Molmil
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
7OU8
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BU of 7ou8 by Molmil
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
2VCA
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BU of 2vca by Molmil
Family 89 glycoside hydrolase from Clostridium perfringens in complex with beta-N-acetyl-D-glucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ALPHA-N-ACETYLGLUCOSAMINIDASE, CALCIUM ION, ...
Authors:Ficko-Blean, E, Stubbs, K.A, Berg, O, Vocadlo, D.J, Boraston, A.B.
Deposit date:2007-09-19
Release date:2008-03-18
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural and Mechanistic Insight Into the Basis of Mucopolysaccharidosis Iiib.
Proc.Natl.Acad.Sci.USA, 105, 2008
5M7R
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BU of 5m7r by Molmil
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
5M7T
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BU of 5m7t by Molmil
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:2024-11-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
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:2024-11-06
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Structural and functional insight into human O-GlcNAcase.
Nat. Chem. Biol., 13, 2017
1ZUN
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BU of 1zun by Molmil
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:2024-11-13
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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