2VXK
| Structural comparison between Aspergillus fumigatus and human GNA1 | Descriptor: | 2-acetamido-2-deoxy-6-O-phosphono-alpha-D-glucopyranose, COENZYME A, GLUCOSAMINE 6-PHOSPHATE ACETYLTRANSFERASE, ... | Authors: | Hurtado-Guerrero, R, Raimi, O.G, Min, J, Zeng, H, Vallius, L, Shepherd, S, Ibrahim, A.F.M, Wu, H, Plotnikov, A.N, van Aalten, D.M.F. | Deposit date: | 2008-07-05 | Release date: | 2008-07-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Kinetic Differences between Human and Aspergillus Fumigatus D-Glucosamine-6- Phosphate N-Acetyltransferase. Biochem.J., 415, 2008
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2VYO
| Chitin deacetylase family member from Encephalitozoon cuniculi | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | Authors: | Urch, J.E, Hurtado-Guerrero, R, Texier, C, Van Aalten, D.M.F. | Deposit date: | 2008-07-25 | Release date: | 2008-08-12 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Structural and Functional Characterization of a Putative Polysaccharide Deacetylase of the Human Parasite Encephalitozoon Cuniculi. Protein Sci., 18, 2009
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2V3S
| Structural insights into the recognition of substrates and activators by the OSR1 kinase | Descriptor: | ACETATE ION, SERINE/THREONINE-PROTEIN KINASE OSR1, SERINE/THREONINE-PROTEIN KINASE WNK4 | Authors: | Villa, F, Goebel, J, Rafiqi, F.H, Deak, M, Thastrup, J, Alessi, D.R, van Aalten, D.M.F. | Deposit date: | 2007-06-21 | Release date: | 2007-07-03 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural Insights Into the Recognition of Substrates and Activators by the Osr1 Kinase Embo Rep., 8, 2007
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2VSY
| Xanthomonas campestris putative OGT (XCC0866), apostructure | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | Authors: | Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F. | Deposit date: | 2008-05-01 | Release date: | 2008-11-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase. Embo J., 27, 2008
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2WZG
| Legionella glucosyltransferase (Lgt1) crystal structure | Descriptor: | GLUCOSYLTRANSFERASE, MAGNESIUM ION, URIDINE-5'-DIPHOSPHATE-GLUCOSE | Authors: | Hurtado-Guerrero, R, Zusman, T, Pathak, S, Ibrahim, A.F.M, Shepherd, S, Prescott, A, Segal, G, Van Aalten, D.M.F. | Deposit date: | 2009-11-29 | Release date: | 2009-12-08 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase. Biochem.J., 426, 2010
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2WZF
| Legionella pneumophila glucosyltransferase crystal structure | Descriptor: | GLUCOSYLTRANSFERASE, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ... | Authors: | Hurtado-Guerrero, R, Zusman, T, Pathak, S, Ibrahim, A.F.M, Shepherd, S, Prescott, A, Segal, G, van Aalten, D.M.F. | Deposit date: | 2009-11-29 | Release date: | 2009-12-08 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase. Biochem.J., 426, 2010
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1HB6
| Structure of bovine Acyl-CoA binding protein in orthorhombic crystal form | Descriptor: | ACYL-COA BINDING PROTEIN, CADMIUM ION | Authors: | Zou, J.Y, Kleywegt, G.J, Bergfors, T, Knudsen, J, Jones, T.A. | Deposit date: | 2001-04-12 | Release date: | 2002-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding Site Differences Revealed by Crystal Structures of Plasmodium Falciparum and Bovine Acyl-Coa Binding Protein J.Mol.Biol., 309, 2001
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1HB8
| Structure of bovine Acyl-CoA binding protein in tetragonal crystal form | Descriptor: | ACYL-COA BINDING PROTEIN, SULFATE ION | Authors: | Zou, J.Y, Kleywegt, G.J, Bergfors, T, Knudsen, J, Jones, T.A. | Deposit date: | 2001-04-12 | Release date: | 2002-03-11 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Binding Site Differences Revealed by Crystal Structures of Plasmodium Falciparum and Bovine Acyl-Coa Binding Protein J.Mol.Biol., 309, 2001
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4V11
| Structure of Synaptotagmin-1 with SV2A peptide phosphorylated at Thr84 | Descriptor: | CALCIUM ION, GLYCEROL, SYNAPTIC VESICLE GLYCOPROTEIN 2A, ... | Authors: | Zhang, N, Gordon, S.L, Fritsch, M.J, Esoof, N, Campbell, D, Gourlay, R, Velupillai, S, Macartney, T, Peggie, M, vanAalten, D.M.F, Cousin, M.A, Alessi, D.R. | Deposit date: | 2014-09-22 | Release date: | 2015-02-25 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Phosphorylation of Synaptic Vesicle Protein 2A at Thr84 by Casein Kinase 1 Family Kinases Controls the Specific Retrieval of Synaptotagmin-1. J.Neurosci., 35, 2015
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4BMA
| structural of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase | Descriptor: | GLYCEROL, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE | Authors: | Fang, W, Raimi, O.G, HurtadoGuerrero, R, vanAalten, D.M.F. | Deposit date: | 2013-05-07 | Release date: | 2013-05-15 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.08 Å) | Cite: | Genetic and Structural Validation of Aspergillus Fumigatus Udp-N-Acetylglucosamine Pyrophosphorylase as an Antifungal Target. Mol.Microbiol., 89, 2013
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7U34
| The structure of phosphoglucose isomerase from Aspergillus fumigatus | Descriptor: | CHLORIDE ION, CITRATE ANION, GLYCEROL, ... | Authors: | Yan, K, Kowalski, B, Fang, W, van Aalten, D. | Deposit date: | 2022-02-25 | Release date: | 2022-08-17 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.56 Å) | Cite: | Phosphoglucose Isomerase Is Important for Aspergillus fumigatus Cell Wall Biogenesis. Mbio, 13, 2022
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6RHE
| 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
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5LWV
| 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
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1LG2
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6G9V
| Crystal structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase(AfUAP1) in complex with UDPGlcNAc, pyrophosphate and Mg2+ | Descriptor: | MAGNESIUM ION, PYROPHOSPHATE, UDP-N-acetylglucosamine pyrophosphorylase, ... | Authors: | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor RSC Chem. Biol., 2020
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6G9W
| Crystal Structure of Aspergillus fumigatus UDP-N-acetylglucosamine pyrophosphorylase in complex with UTP | Descriptor: | UDP-N-acetylglucosamine pyrophosphorylase, URIDINE 5'-TRIPHOSPHATE | Authors: | Raimi, O.G, Hurtado-Guerrero, R, Borodin, V, Urbaniak, M, Ferguson, M, van Aalten, D. | Deposit date: | 2018-04-11 | Release date: | 2019-04-24 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | A mechanism-inspired UDP-N-acetylglucosamine pyrophosphorylase inhibitor RSC Chem. Biol., 2020
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1LQ0
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1LG1
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3H5Z
| Crystal Structure of Leishmania major N-myristoyltransferase with bound myristoyl-CoA | Descriptor: | 1,2-ETHANEDIOL, Glycylpeptide N-tetradecanoyltransferase, TETRADECANOYL-COA, ... | Authors: | Qiu, W, Hutchinson, A, Lin, Y.-H, Wernimont, A, Mackenzie, F, Ravichandran, M, Cossar, D, Zhao, Y, Schapira, M, Arrowsmith, C.H, Bountra, C, Weigelt, J, Edwards, A.M, Ferguson, M.A.J, Fairlamb, A.H, Hui, R, Structural Genomics Consortium (SGC) | Deposit date: | 2009-04-22 | Release date: | 2009-05-12 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | N-myristoyltransferase inhibitors as new leads to treat sleeping sickness. Nature, 464, 2010
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5OA6
| Crystal structure of ScGas2 in complex with compound 12 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-quinolin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-21 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O9O
| Crystal structure of ScGas2 in complex with compound 7. | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-(naphthalen-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | Authors: | Delso, I, Valero-Gonzalez, J, Fang, W, Gomollon-Bel, F, Castro-Lopez, J, Navratilova, I, van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-19 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O9Y
| Crystal structure of ScGas2 in complex with compound 11 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(3-pyridin-1-ium-1-ylpropyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2, ... | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-20 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5O6C
| Crystal Structure of a threonine-selective RCR E3 ligase | Descriptor: | E3 ubiquitin-protein ligase MYCBP2, ZINC ION | Authors: | Pao, K.-C, Rafie, K.Z, van Aalten, D, Virdee, S. | Deposit date: | 2017-06-06 | Release date: | 2018-04-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Activity-based E3 ligase profiling uncovers an E3 ligase with esterification activity. Nature, 556, 2018
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5O9P
| Crystal structure of Gas2 in complex with compound 10 | Descriptor: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-3,5-bis(oxidanyl)-6-[4-(pyridin-2-ylmethoxymethyl)-1,2,3-triazol-1-yl]oxan-4-yl]oxy-3,5-bis(oxidanyl)oxan-4-yl]oxy-oxane-3,4,5-triol, 1,2-ETHANEDIOL, 1,3-beta-glucanosyltransferase GAS2 | Authors: | Delso, I, Valero-Gonzalez, J, Gomollon-Bel, F, Castro-Lopez, J, Fang, W, Navratilova, I, Van Aalten, D, Tejero, T, Merino, P, Hurtado-Guerrero, R. | Deposit date: | 2017-06-19 | Release date: | 2018-05-02 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inhibitors against Fungal Cell Wall Remodeling Enzymes. ChemMedChem, 13, 2018
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5NPS
| The human O-GlcNAc transferase in complex with a bisubstrate inhibitor | Descriptor: | 5,6-DIHYDRO-BENZO[H]CINNOLIN-3-YLAMINE, UDP-N-acetylglucosamine--peptide N-acetylglucosaminyltransferase 110 kDa subunit, [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] propyl hydrogen phosphate | Authors: | Rafie, K, van Aalten, D. | Deposit date: | 2017-04-18 | Release date: | 2018-05-16 | Last modified: | 2023-03-15 | Method: | X-RAY DIFFRACTION (1.68 Å) | Cite: | Thio-Linked UDP-Peptide Conjugates as O-GlcNAc Transferase Inhibitors. Bioconjug. Chem., 29, 2018
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