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4D0T
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BU of 4d0t by Molmil
GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D0Z
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BU of 4d0z by Molmil
GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 and manganese (Higher resolution dataset)
Descriptor: (2R,3R,4R,5R,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, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-04-30
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
4D11
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BU of 4d11 by Molmil
GalNAc-T2 crystal soaked with UDP-5SGalNAc, mEA2 peptide and manganese (Lower resolution dataset)
Descriptor: 2-acetamido-2-deoxy-5-thio-alpha-D-galactopyranose, MANGANESE (II) ION, PEPTIDE, ...
Authors:Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R.
Deposit date:2014-05-01
Release date:2014-05-28
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N- Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
5ABG
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BU of 5abg by Molmil
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
5ABH
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BU of 5abh by Molmil
Structure of GH84 with ligand
Descriptor: 1,2-ETHANEDIOL, 2-[(2R,3S,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-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:2016-01-27
Method:X-RAY DIFFRACTION (1.95 Å)
Cite: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
Descriptor: 1,2-ETHANEDIOL, 2-[(2S,3R,4R,5R)-5-(hydroxymethyl)-3,4-bis(oxidanyl)-1-pentyl-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 (2.1 Å)
Cite: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
Descriptor: 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
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:2016-01-27
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
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
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
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
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
4GZ5
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BU of 4gz5 by Molmil
Crystal structure of human O-GlcNAc Transferase with UDP-GlcNAc
Descriptor: SULFATE ION, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-DIPHOSPHATE-N-ACETYLGLUCOSAMINE
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 (3.075 Å)
Cite:Structural snapshots of the reaction coordinate for O-GlcNAc transferase.
Nat.Chem.Biol., 8, 2012
4GYW
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BU of 4gyw by Molmil
Crystal structure of human O-GlcNAc Transferase in complex with UDP and a glycopeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 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:2020-07-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural snapshots of the reaction coordinate for O-GlcNAc transferase.
Nat.Chem.Biol., 8, 2012
4GZ3
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BU of 4gz3 by Molmil
Crystal structure of human O-GlcNAc Transferase with UDP and a thioglycopeptide
Descriptor: 2-acetamido-2-deoxy-5-thio-beta-D-glucopyranose, 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:2020-07-29
Method:X-RAY DIFFRACTION (1.9 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
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
7LH6
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BU of 7lh6 by Molmil
The structure of Bacteroides plebeius L-galactose dehydrogenase
Descriptor: L-galactose dehydrogenase
Authors:Robb, C.S, Pluvinage, B, Vickers, C, Boraston, A.B.
Deposit date:2021-01-21
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
7LHA
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BU of 7lha by Molmil
Structure of the Exo-L-galactose-6-sulfatase BuS1_11 from Bacteroides uniformis
Descriptor: CALCIUM ION, Exo-L-galactose-6-sulfatase, NICKEL (II) ION
Authors:Robb, C.S, Boraston, A.B.
Deposit date:2021-01-21
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
7QQF
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BU of 7qqf by Molmil
Crystal structure of unliganded MYORG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2022-01-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7QQH
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BU of 7qqh by Molmil
Crystal structure of MYORG (D520N) in complex with Gal-a1,4-Glc
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2022-01-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
7QQG
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BU of 7qqg by Molmil
Crystal structure of MYORG bound to 1-deoxygalactonojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Meek, R.W, Davies, G.J.
Deposit date:2022-01-07
Release date:2022-08-31
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.43 Å)
Cite:The primary familial brain calcification-associated protein MYORG is an alpha-galactosidase with restricted substrate specificity.
Plos Biol., 20, 2022
4AIS
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BU of 4ais by Molmil
A complex structure of BtGH84
Descriptor: GLYCEROL, GLYCOLIC ACID, O-GLCNACASE BT_4395
Authors:He, Y, Davies, G.J.
Deposit date:2012-02-13
Release date:2012-06-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase.
J.Biol.Chem., 287, 2012
4AIU
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BU of 4aiu by Molmil
A complex structure of BtGH84
Descriptor: (3AR,5R,6S,7R,7AR)-2,5-BIS(HYDROXYMETHYL)-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D][1,3]OXAZOLE-6,7-DIOL, CALCIUM ION, O-GLCNACASE BT_4395
Authors:He, Y, Davies, G.J.
Deposit date:2012-02-13
Release date:2012-06-20
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Metabolism of Vertebrate Amino Sugars with N-Glycolyl Groups: Intracellular Beta-O-Linked N-Glycolylglucosamine (Glcngc), Udp-Glcngc, and the Biochemical and Structural Rationale for the Substrate Tolerance of Beta-O-Linked Beta-N-Acetylglucosaminidase.
J.Biol.Chem., 287, 2012
7LJ2
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BU of 7lj2 by Molmil
Structure of Exo-L-galactose-6-sulfatase BuS1_11 from Bacteroides uniformis in complex with neoporphyrabiose
Descriptor: 6-O-sulfo-alpha-L-galactopyranose-(1-3)-beta-D-galactopyranose, CALCIUM ION, Exo-L-galactose-6-sulfatase, ...
Authors:Robb, C.S, Boraston, A.B.
Deposit date:2021-01-28
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022

 

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