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4WPG
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BU of 4wpg by Molmil
Group A Streptococcus GacA is an essential dTDP-4-dehydrorhamnose reductase (RmlD)
Descriptor: (4R)-2-METHYLPENTANE-2,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, PHOSPHATE ION, ...
Authors:van der Beek, S.L, Le Breton, Y, Ferenbach, A.T, van Aalten, D.M.F, Navratilova, I, McIver, K, van Sorge, N.M, Dorfmueller, H.C.
Deposit date:2014-10-18
Release date:2015-09-09
Last modified:2016-01-27
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:GacA is essential for Group A Streptococcus and defines a new class of monomeric dTDP-4-dehydrorhamnose reductases (RmlD).
Mol.Microbiol., 98, 2015
3ZJ0
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BU of 3zj0 by Molmil
The human O-GlcNAcase C-terminal domain is a pseudo histone acetyltransferase
Descriptor: 1,2-ETHANEDIOL, ACETYL COENZYME *A, ACETYLTRANSFERASE, ...
Authors:Rao, F.V, Schuettelkopf, A.W, Dorfmueller, H.C, Ferenbach, A.T, Navratilova, I, van Aalten, D.M.F.
Deposit date:2013-01-15
Release date:2013-10-16
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure of a Bacterial Putative Acetyltransferase Defines the Fold of the Human O-Glcnacase C-Terminal Domain.
Open Biol., 3, 2013
5A01
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BU of 5a01 by Molmil
O-GlcNAc transferase from Drososphila melanogaster
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, O-GLYCOSYLTRANSFERASE
Authors:Mariappa, D, Zheng, X, Schimpl, M, Raimi, O, Rafie, K, Ferenbach, A.T, Mueller, H.J, van Aalten, D.M.F.
Deposit date:2015-04-15
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.66 Å)
Cite:Dual functionality of O-GlcNAc transferase is required for Drosophila development.
Open Biol, 5, 2015
6I5X
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BU of 6i5x by Molmil
Crystal structure of Aspergillus fumigatus phosphomannomutase
Descriptor: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, MAGNESIUM ION, ...
Authors:Zhang, Y, Raimi, O.G, Ferenbach, A.T, van Aalten, D.M.F.
Deposit date:2018-11-15
Release date:2019-11-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of Aspergillus fumigatus phosphomannomutase
To Be Published
5DIY
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BU of 5diy by Molmil
Thermobaculum terrenum O-GlcNAc hydrolase mutant - D120N
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Hyaluronidase, TGF-beta-activated kinase 1 and MAP3K7-binding protein 1
Authors:Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F.
Deposit date:2015-09-01
Release date:2015-10-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
5DJS
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BU of 5djs by Molmil
Thermobaculum terrenum O-GlcNAc transferase mutant - K341M
Descriptor: Tetratricopeptide TPR_2 repeat protein, URIDINE-5'-DIPHOSPHATE
Authors:Ostrowski, A, Gundogdu, M, Ferenbach, A.T, Lebedev, A, van Aalten, D.M.F.
Deposit date:2015-09-02
Release date:2015-10-28
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Evidence for a Functional O-Linked N-Acetylglucosamine (O-GlcNAc) System in the Thermophilic Bacterium Thermobaculum terrenum.
J.Biol.Chem., 290, 2015
4AY5
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BU of 4ay5 by Molmil
Human O-GlcNAc transferase (OGT) in complex with UDP and glycopeptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GTAB1TIDE, UDP-N-ACETYLGLUCOSAMINE--PEPTIDE N-ACETYLGLUCOSAMINYL TRANSFERASE 110 KDA SUBUNIT, ...
Authors:Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
Deposit date:2012-06-18
Release date:2012-10-24
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
4AY6
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BU of 4ay6 by Molmil
Human O-GlcNAc transferase (OGT) in complex with UDP-5SGlcNAc and substrate peptide
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, TGF-BETA-ACTIVATED KINASE 1 AND MAP3K7-BINDING PROTEIN 1, ...
Authors:Schimpl, M, Zheng, X, Blair, D.E, Schuettelkopf, A.W, Navratilova, I, Aristotelous, T, Ferenbach, A.T, Macnaughtan, M.A, Borodkin, V.S, van Aalten, D.M.F.
Deposit date:2012-06-18
Release date:2012-10-24
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:O-Glcnac Transferase Invokes Nucleotide Sugar Pyrophosphate Participation in Catalysis
Nat.Chem.Biol., 8, 2012
5OXD
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BU of 5oxd by Molmil
Complex of a C. perfringens O-GlcNAcase with a fragment hit
Descriptor: 5-(trifluoromethyl)-2,3-dihydro-1~{H}-1,4-diazepine, CADMIUM ION, O-GlcNAcase NagJ
Authors:Rafie, K, van Aalten, D.M.F.
Deposit date:2017-09-06
Release date:2018-05-16
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:O-GlcNAcase Fragment Discovery with Fluorescence Polarimetry.
ACS Chem. Biol., 13, 2018
6EOU
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BU of 6eou by Molmil
O-GlcNAc transferase TPR domain with the intellectual disability associated mutation L254F
Descriptor: UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit
Authors:Gundogdu, M, van Aalten, D.M.F.
Deposit date:2017-10-10
Release date:2018-05-09
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The O-GlcNAc Transferase Intellectual Disability Mutation L254F Distorts the TPR Helix.
Cell Chem Biol, 25, 2018
5LVV
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BU of 5lvv by Molmil
Human OGT in complex with UDP and fused substrate peptide (Tab1)
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, URIDINE-5'-DIPHOSPHATE
Authors:Raimi, O.
Deposit date:2016-09-14
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
5LWV
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BU of 5lwv by Molmil
Human OGT in complex with UDP and fused substrate peptide (HCF1)
Descriptor: GLYCEROL, Host cell factor 1,UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, PHOSPHATE ION, ...
Authors:Raimi, O, Rafie, K, Kapuria, V, Herr, W, van Aalten, D.
Deposit date:2016-09-19
Release date:2017-07-12
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Recognition of a glycosylation substrate by the O-GlcNAc transferase TPR repeats.
Open Biol, 7, 2017
6RHE
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BU of 6rhe by Molmil
CpOGA D298N in complex with hOGA-derived S-GlcNAc peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, ACE-ALA-HIS-CYS-GLY-NH2, CADMIUM ION, ...
Authors:Van Aalten, D, Bartual, S.G, Gorelik, A.
Deposit date:2019-04-19
Release date:2019-12-25
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Genetic recoding to dissect the roles of site-specific protein O-GlcNAcylation.
Nat.Struct.Mol.Biol., 26, 2019
4ZXL
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BU of 4zxl by Molmil
CpOGA D298N in complex with Drosophila HCF -derived Thr-O-GlcNAc peptide
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, NAG-PRO-SER-THR-ALA-Thr-O-GlcNAc containing peptide from drosophila HCF, ...
Authors:Selvan, N, van Aalten, D.M.F.
Deposit date:2015-05-20
Release date:2015-09-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A mutant O-GlcNAcase as a probe to reveal global dynamics of protein O-GlcNAcylation during Drosophila embryonic development.
Biochem.J., 470, 2015
6IBO
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BU of 6ibo by Molmil
Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability
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, ALA-VAL-SER-ARG-ALA, PHOSPHATE ION, ...
Authors:Gundogdu, M, van Aalten, D.M.F.
Deposit date:2018-11-30
Release date:2019-07-24
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Catalytic deficiency of O-GlcNAc transferase leads to X-linked intellectual disability.
Proc.Natl.Acad.Sci.USA, 116, 2019
6IBU
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BU of 6ibu by Molmil
Apo Crh5 transglycosylase
Descriptor: GLYCEROL, Probable glycosidase crf1
Authors:Bartual, S.G, Fang, W, van Aalten, D.M.F.
Deposit date:2018-11-30
Release date:2019-02-27
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
6IBW
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BU of 6ibw by Molmil
Crh5 transglycosylase in complex with NAG
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Probable glycosidase crf1
Authors:Fang, W, Bartual, S.G, van Aalten, D.M.F.
Deposit date:2018-12-01
Release date:2019-02-27
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Mechanisms of redundancy and specificity of the Aspergillus fumigatus Crh transglycosylases.
Nat Commun, 10, 2019
7P5O
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BU of 7p5o by Molmil
Crystal structure of Aspergillus fumigatus phosphoglucomutase in complex with the reaction intermediate
Descriptor: 1,6-di-O-phosphono-alpha-D-glucopyranose, MAGNESIUM ION, Phosphoglucomutase
Authors:Raimi, O.G, Yan, K, van Aalten, D.M.F.
Deposit date:2021-07-14
Release date:2022-07-27
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.48 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
7PJC
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BU of 7pjc by Molmil
The structure of Candida albicans phosphoglucomutase with isothiazolone modification on Cys359
Descriptor: GLYCEROL, Phosphoglucomutase, SULFATE ION, ...
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
7PIZ
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BU of 7piz by Molmil
The structure of phosphoglucomutase from Candida albicans
Descriptor: Phosphoglucomutase, SULFATE ION
Authors:Yan, K, van Aalten, D.M.F.
Deposit date:2021-08-23
Release date:2022-09-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
To Be Published
7PPR
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BU of 7ppr by Molmil
The structure of UDP-glucose pyrophosphorylase from Aspergillus fumigatus
Descriptor: CHLORIDE ION, SULFATE ION, UTP--glucose-1-phosphate uridylyltransferase
Authors:Morton, S, Raimi, O.G, Yan, K, van Aalten, D.M.F.
Deposit date:2021-09-14
Release date:2022-09-21
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Genetic and structural validation of UDP-glucose pyrophosphorylase as a novel antifungal target against Aspergillus fumigatus
To Be Published
4BOK
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BU of 4bok by Molmil
Crystal structure of Bacillus circulans TN-31 Aman6
Descriptor: ALPHA-1,6-MANNANASE
Authors:Striebeck, A, van Aalten, D.M.F.
Deposit date:2013-05-21
Release date:2014-05-28
Method:X-RAY DIFFRACTION (2.047 Å)
Cite:The Structure of B. Circulans Aman6 Defines the Fold and Mechanism of the Gh-76 Mannoprotein Transglycosylases and Bacterial Mannosidases
To be Published
4BOJ
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BU of 4boj by Molmil
Crystal structure of Bacillus circulans TN-31 Aman6 in complex with mannobiose
Descriptor: ALPHA-1,6-MANNANASE, alpha-D-mannopyranose-(1-6)-alpha-D-mannopyranose
Authors:Striebeck, A, van Aalten, D.M.F.
Deposit date:2013-05-21
Release date:2014-05-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.379 Å)
Cite:The Structure of B. Circulans Aman6 Defines the Fold and Mechanism of the Gh-76 Mannoprotein Transglycosylases and Bacterial Mannosidases
To be Published
6TDG
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BU of 6tdg by Molmil
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 2
Descriptor: 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase
Authors:Raimi, O.G, Stanley, M, Lockhart, D.
Deposit date:2019-11-08
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Targeting a critical step in fungal hexosamine biosynthesis.
J.Biol.Chem., 295, 2020
6TDH
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BU of 6tdh by Molmil
Crystal structure of Aspergillus fumigatus Glucosamine-6-phosphate N-acetyltransferase 1 in complex with compound 1
Descriptor: 3-(2-chlorophenyl)-4~{H}-1,2,4-triazole, ACETYL COENZYME *A, Glucosamine 6-phosphate N-acetyltransferase
Authors:Raimi, O.G, Stanley, M, Lockhart, D.
Deposit date:2019-11-08
Release date:2020-04-29
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.58 Å)
Cite:Targeting a critical step in fungal hexosamine biosynthesis.
J.Biol.Chem., 295, 2020

 

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