4CAX
 
 | | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand (DDD85646) | | Descriptor: | 2,6-dichloro-4-(2-piperazin-1-ylpyridin-4-yl)-N-(1,3,5-trimethyl-1H-pyrazol-4-yl)benzenesulfonamide, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA | | Authors: | Raimi, O.G, Robinson, D.A, Fang, W, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | | Deposit date: | 2013-10-09 | | Release date: | 2014-09-17 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
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4CAV
 | | Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a benzofuran ligand R0-09-4879 | | Descriptor: | 3-[[3-methyl-2-[[2,3,4-tris(fluoranyl)phenoxy]methyl]-1-benzofuran-4-yl]oxy]-N-(pyridin-3-ylmethyl)propan-1-amine, CHLORIDE ION, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, ... | | Authors: | Robinson, D.A, Fang, W, Raimi, O.G, Blair, D.E, Harrison, J, Ruda, G.F, Lockhart, D.E.A, Torrie, L.S, Wyatt, P.G, Gilbert, I.H, Van Aalten, D.M.F. | | Deposit date: | 2013-10-09 | | Release date: | 2014-09-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
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4BJU
 | | Genetic and structural validation of Aspergillus fumigatus N- acetylphosphoglucosamine mutase as an antifungal target | | Descriptor: | MAGNESIUM ION, N-ACETYLGLUCOSAMINE-PHOSPHATE MUTASE | | Authors: | Fang, W, Raimi, O.G, Hurtado Guerrero, R, van Aalten, D.M.F. | | Deposit date: | 2013-04-19 | | Release date: | 2013-05-01 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target.
Biosci.Rep, 33, 2013
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4BQH
 | | Crystal structure of the uridine diphosphate N-acetylglucosamine pyrophosphorylase from Trypanosoma brucei in complex with inhibitor | | Descriptor: | (3S)-3-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]-4-bromanyl-5-methyl-3-oxidanyl-1H-indol-2-one, SULFATE ION, UDP-N-ACETYLGLUCOSAMINE PYROPHOSPHORYLASE | | Authors: | Fang, W, Raimi, O.G, vanAalten, D.M.F. | | Deposit date: | 2013-05-30 | | Release date: | 2013-07-17 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | A Novel Allosteric Inhibitor of the Uridine Diphosphate N-Acetylglucosamine Pyrophosphorylase from Trypanosoma Brucei.
Acs Chem.Biol., 8, 2013
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2YDS
 | | CpOGA D298N in complex with TAB1-derived O-GlcNAc peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, O-GLCNACASE NAGJ, ... | | Authors: | Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. | | Deposit date: | 2011-03-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
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2Y8V
 | | Structure of chitinase, ChiC, from Aspergillus fumigatus. | | Descriptor: | CLASS III CHITINASE, PUTATIVE, SODIUM ION | | Authors: | Rush, C.L, Schuettelkopf, A.W, Gay, L.M, van Aalten, D.M.F. | | Deposit date: | 2011-02-10 | | Release date: | 2012-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure of Chitinase, Chic, from Aspergillus Fumigatus.
To be Published
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2YDQ
 | | CpOGA D298N in complex with hOGA-derived O-GlcNAc peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, BIFUNCTIONAL PROTEIN NCOAT, CADMIUM ION, ... | | Authors: | Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. | | Deposit date: | 2011-03-24 | | Release date: | 2012-03-14 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
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2YDR
 | | CpOGA D298N in complex with p53-derived O-GlcNAc peptide | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, CELLULAR TUMOR ANTIGEN P53, ... | | Authors: | Schimpl, M, Borodkin, V.S, Gray, L.J, van Aalten, D.M.F. | | Deposit date: | 2011-03-24 | | Release date: | 2012-03-14 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.75 Å) | | Cite: | Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition.
Chem.Biol., 19, 2012
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2Y8U
 | | A. nidulans chitin deacetylase | | Descriptor: | CHITIN DEACETYLASE, CHLORIDE ION, COBALT (II) ION, ... | | Authors: | Penman, G, Gay, L.M, van Aalten, D.M.F. | | Deposit date: | 2011-02-10 | | Release date: | 2012-02-22 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.99 Å) | | Cite: | Structure and function of a broad-specificity chitin deacetylase from Aspergillus nidulans FGSC A4.
Sci Rep, 7, 2017
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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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2X0Y
 | | Screening-based discovery of drug-like O-GlcNAcase inhibitor scaffolds | | Descriptor: | 7-[(2S)-2,3-DIHYDROXYPROPYL]-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, O-GLCNACASE NAGJ | | Authors: | Dorfmueller, H.C, van Aalten, D.M.F. | | Deposit date: | 2009-12-18 | | Release date: | 2010-01-12 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Screening-Based Discovery of Drug-Like O-Glcnacase Inhibitor Scaffolds
FEBS Lett., 584, 2010
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2XZ3
 | | BLV TM hairpin | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, MALTOSE ABC TRANSPORTER PERIPLASMIC PROTEIN, ... | | Authors: | Schuettelkopf, A.W, Lamb, D, Brighty, D.W, van Aalten, D.M.F. | | Deposit date: | 2010-11-22 | | Release date: | 2011-03-02 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Charge-Surrounded Pockets and Electrostatic Interactions with Small Ions Modulate the Activity of Retroviral Fusion Proteins.
Plos Pathog., 7, 2011
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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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2XPK
 | | Cell-penetrant, nanomolar O-GlcNAcase inhibitors selective against lysosomal hexosaminidases | | Descriptor: | N-[(5R,6R,7R,8S)-6,7-DIHYDROXY-5-(HYDROXYMETHYL)-2-(2-PHENYLETHYL)-5,6,7,8-TETRAHYDROIMIDAZO[1,2-A]PYRIDIN-8-YL]-3-SULFANYLPROPANAMIDE, O-GLCNACASE NAGJ | | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, Zheng, X, Kime, R, Read, K.D, van Aalten, D.M.F. | | Deposit date: | 2010-08-26 | | Release date: | 2011-03-16 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Cell-Penetrant, Nanomolar O-Glcnacase Inhibitors Selective Against Lysosomal Hexosaminidases.
Chem.Biol, 17, 2010
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2XVP
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2XWX
 | | Vibrio cholerae colonization factor GbpA crystal structure | | Descriptor: | GLCNAC-BINDING PROTEIN A | | Authors: | Wong, E, Vaaje-Kolstad, G, Ghosh, A, Guerrero, R.H, Konarev, P.V, Ibrahim, A.F.M, Svergun, D.I, Eijsink, V.G.H, Chatterjee, N.S, van Aalten, D.M.F. | | Deposit date: | 2010-11-06 | | Release date: | 2011-11-16 | | Last modified: | 2015-04-15 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The Vibrio Cholerae Colonization Factor Gbpa Possesses a Modular Structure that Governs Binding to Different Host Surfaces.
Plos Pathog., 8, 2012
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2XSB
 | | OgOGA PUGNAc complex | | Descriptor: | 2-(acetylamido)-2-deoxy-D-glucono-1,5-lactone, CHLORIDE ION, HYALURONOGLUCOSAMINIDASE | | Authors: | Schuttelkopf, A.W, van Aalten, D.M.F. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-23 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
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2XVN
 | | A. fumigatus chitinase A1 phenyl-methylguanylurea complex | | Descriptor: | 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION | | Authors: | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | | Deposit date: | 2010-10-26 | | Release date: | 2010-11-03 | | Last modified: | 2011-07-13 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
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2WTK
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2XSA
 | | OgOGA apostructure | | Descriptor: | CHLORIDE ION, HYALURONOGLUCOSAMINIDASE | | Authors: | Schuttelkopf, A.W, van Aalten, D.M.F. | | Deposit date: | 2010-09-27 | | Release date: | 2011-03-23 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Human Oga Binds Substrates in a Conserved Peptide Recognition Groove.
Biochem.J., 432, 2010
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2XUC
 | | Natural product-guided discovery of a fungal chitinase inhibitor | | Descriptor: | 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, CHLORIDE ION, ... | | Authors: | Rush, C.L, Schuttelkopf, A.W, Hurtado-Guerrero, R, Blair, D.E, Ibrahim, A.F.M, Desvergnes, S, Eggleston, I.M, van Aalten, D.M.F. | | Deposit date: | 2010-10-18 | | Release date: | 2010-10-27 | | Last modified: | 2019-01-23 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
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2XTK
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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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2W3Z
 | | Structure of a Streptococcus mutans CE4 esterase | | Descriptor: | PHOSPHATE ION, PUTATIVE DEACETYLASE, ZINC ION | | Authors: | Deng, D.M, Urch, J.E, ten Cate, J.M, Rao, V.A, van Aalten, D.M.F, Crielaard, W. | | Deposit date: | 2008-11-17 | | Release date: | 2008-12-02 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | Streptococcus Mutans Smu.623C Codes for a Functional, Metal Dependent Polysaccharide Deacetylase that Modulates Interactions with Salivary Agglutinin.
J.Bacteriol., 191, 2009
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1UNR
 | | Crystal structure of the PH domain of PKB alpha in complex with a sulfate molecule | | Descriptor: | RAC-ALPHA SERINE/THREONINE KINASE, SULFATE ION | | Authors: | Milburn, C.C, Deak, M, Kelly, S.M, Price, N.C, Alessi, D.R, van Aalten, D.M.F. | | Deposit date: | 2003-09-15 | | Release date: | 2004-09-16 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Binding of phosphatidylinositol 3,4,5-trisphosphate to the pleckstrin homology domain of protein kinase B induces a conformational change.
Biochem. J., 375, 2003
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