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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
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
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
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
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
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
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
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
7LNP
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BU of 7lnp by Molmil
Structure of the exo-alpha-L-galactosidase BpGH29 (D264N mutant) from Bacteroides plebeius in complex with paranitrophenyl-alpha-L-galactopyranoside
Descriptor: CALCIUM ION, CHLORIDE ION, Exo-alpha-L-galactosidase, ...
Authors:Boraston, A.B, Robb, C.S.
Deposit date:2021-02-08
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
7LK7
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BU of 7lk7 by Molmil
Structure of the Exo-alpha-L-galactosidase BpGH29 from Bacteroides plebeius in complex with L-galactose
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Exo-alpha-L-galactosidase, ...
Authors:Boraston, A.B, Robb, C.S.
Deposit date:2021-02-01
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
7LJJ
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BU of 7ljj by Molmil
Structure of the Exo-alpha-L-galactosidase BpGH29 from Bacteroides plebeius
Descriptor: 1,2-ETHANEDIOL, CALCIUM ION, Exo-alpha-L-galactosidase
Authors:Robb, C.S, Boraston, A.B.
Deposit date:2021-01-29
Release date:2022-02-09
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Metabolism of a hybrid algal galactan by members of the human gut microbiome.
Nat.Chem.Biol., 18, 2022
7P1V
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BU of 7p1v by Molmil
Apo structure of KDNase from Trichophyton Rubrum
Descriptor: CALCIUM ION, Extracellular sialidase/neuraminidase, GLYCEROL
Authors:Gloster, T.M, McMahon, S.A.
Deposit date:2021-07-02
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021
7P1Q
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BU of 7p1q by Molmil
Structure of KDNase from Trichophyton Rubrum in complex with 2-keto-3-deoxynononic acid
Descriptor: Extracellular sialidase/neuraminidase, GLYCEROL, deamino-alpha-neuraminic acid
Authors:Gloster, T.M, McMahon, S.A.
Deposit date:2021-07-02
Release date:2021-10-20
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (0.91 Å)
Cite:Kinetic and Structural Characterization of Sialidases (Kdnases) from Ascomycete Fungal Pathogens.
Acs Chem.Biol., 16, 2021

 

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