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PDB: 201 results

2WZG
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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
2CBI
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Structure of the Clostridium perfringens NagJ family 84 glycoside hydrolase, a homologue of human O-GlcNAcase
Descriptor: CHLORIDE ION, GAMMA-BUTYROLACTONE, GLYCEROL, ...
Authors:Rao, F.V, Dorfmueller, H.C, Villa, F, Allwood, M, Eggleston, I.M, van Aalten, D.M.F.
Deposit date:2006-01-04
Release date:2006-02-13
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Structural insights into the mechanism and inhibition of eukaryotic O-GlcNAc hydrolysis.
EMBO J., 25, 2006
2XSA
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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
2VSY
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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
2X0Y
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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
2VYO
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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
2XVP
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ChiA1 from Aspergillus fumigatus, apostructure
Descriptor: CLASS III CHITINASE CHIA1, PHOSPHATE ION
Authors:Schuettelkopf, A.W, van Aalten, D.M.F.
Deposit date:2010-10-27
Release date:2011-06-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
2UY2
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ScCTS1_apo crystal structure
Descriptor: ENDOCHITINASE, GLYCEROL
Authors:Hurtado-Guerrero, R, Van Aalten, D.M.F.
Deposit date:2007-04-02
Release date:2007-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2XTK
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ChiA1 from Aspergillus fumigatus in complex with acetazolamide
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, CLASS III CHITINASE CHIA1, PHOSPHATE ION
Authors:Schuettelkopf, A.W, van Aalten, D.M.F.
Deposit date:2010-10-11
Release date:2011-10-26
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2 Å)
Cite:Acetazolamide-Based Fungal Chitinase Inhibitors.
Bioorg.Med.Chem., 18, 2010
2IW0
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Structure of the chitin deacetylase from the fungal pathogen Colletotrichum lindemuthianum
Descriptor: ACETATE ION, CHITIN DEACETYLASE, CHLORIDE ION, ...
Authors:Blair, D.E, Hekmat, O, Schuttelkopf, A.W, Shrestha, B, Tokuyasu, K, Withers, S.G, van Aalten, D.M.F.
Deposit date:2006-06-23
Release date:2006-07-04
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure and Mechanism of Chitin Deacetylase from the Fungal Pathogen Colletotrichum Lindemuthianum.
Biochemistry, 45, 2006
2UY5
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ScCTS1_kinetin crystal structure
Descriptor: ENDOCHITINASE, N-(FURAN-2-YLMETHYL)-7H-PURIN-6-AMINE
Authors:Hurtado-Guerrero, R, van Aalten, D.M.F.
Deposit date:2007-04-02
Release date:2007-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2UY4
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ScCTS1_acetazolamide crystal structure
Descriptor: 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE, ENDOCHITINASE
Authors:Hurtado-Guerrero, R, van Aalten, D.M.F.
Deposit date:2007-04-02
Release date:2007-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
2W61
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Saccharomyces cerevisiae Gas2p apostructure (E176Q mutant)
Descriptor: GLYCOLIPID-ANCHORED SURFACE PROTEIN 2
Authors:Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-02-10
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
4CAV
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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
2UY3
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ScCTS1_8-chlorotheophylline crystal structure
Descriptor: 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE, ENDOCHITINASE
Authors:Hurtado-Guerrero, R, Van Aalten, D.M.F.
Deposit date:2007-04-02
Release date:2007-04-24
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure of Saccharomyces Cerevisiae Chitinase 1 and Screening-Based Discovery of Potent Inhibitors.
Chem.Biol., 14, 2007
4CAW
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BU of 4caw by Molmil
Crystal structure of Aspergillus fumigatus N-myristoyl transferase in complex with myristoyl CoA and a pyrazole sulphonamide ligand
Descriptor: 2,6-DICHLORO-4-(2-PIPERAZIN-1-YLPYRIDIN-4-YL)-N-(1,5-DIMETHYL,3-ISOBUTYL-1H-PYRAZOL-4-YL)BENZENESULFONAMIDE, GLYCYLPEPTIDE N-TETRADECANOYLTRANSFERASE, TETRADECANOYL-COA
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:2024-05-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:N-Myristoyltransferase is a Cell Wall Target in Aspergillus Fumigatus.
Acs Chem.Biol., 10, 2015
4CAX
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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
2JLB
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Xanthomonas campestris putative OGT (XCC0866), complex with UDP- GlcNAc phosphonate analogue
Descriptor: CHLORIDE ION, MANGANESE (II) ION, URIDINE-DIPHOSPHATE-METHYLENE-N-ACETYL-GLUCOSAMINE, ...
Authors:Schuettelkopf, A.W, Clarke, A.J, van Aalten, D.M.F.
Deposit date:2008-09-07
Release date:2008-11-25
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Insights Into Mechanism and Specificity of O-Glcnac Transferase.
Embo J., 27, 2008
4BOK
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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
Last modified:2024-05-08
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
2BEN
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Crystal structure of the Serratia marcescens chitin-binding protein CBP21 Y54A mutant.
Descriptor: CBP21
Authors:Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
Deposit date:2004-11-26
Release date:2004-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
2BEM
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Crystal structure of the Serratia marcescens chitin-binding protein CBP21
Descriptor: 1,2-ETHANEDIOL, CBP21, SODIUM ION, ...
Authors:Vaaje-Kolstad, G, Houston, D.R, Eijsink, V.G.H, van Aalten, D.M.F.
Deposit date:2004-11-26
Release date:2004-12-08
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Crystal Structure and Binding Properties of the Serratia Marcescens Chitin-Binding Protein Cbp21
J.Biol.Chem., 280, 2005
2C07
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Oxoacyl-ACP reductase of Plasmodium falciparum
Descriptor: 3-OXOACYL-(ACYL-CARRIER PROTEIN) REDUCTASE, SULFATE ION
Authors:Urch, J.E, Wickramasinghe, S.R, Inglis, K.A, Muller, S, Fairlamb, A.H, van Aalten, D.M.F.
Deposit date:2005-08-26
Release date:2005-10-20
Last modified:2023-12-13
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Kinetic, Inhibition and Structural Studies on 3-Oxoacyl-Acp Reductase from Plasmodium Falciparum, a Key Enzyme in Fatty Acid Biosynthesis.
Biochem.J., 393, 2006
2CH9
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Crystal structure of dimeric human cystatin F
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Schuettelkopf, A.W, van Aalten, D.M.F.
Deposit date:2006-03-13
Release date:2006-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural Basis of Reduction-Dependent Activation of Human Cystatin F.
J.Biol.Chem., 281, 2006
2FJ9
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High resolution crystal structure of the unliganded human ACBP
Descriptor: Acyl-CoA-binding protein, CHLORIDE ION, LEAD (II) ION, ...
Authors:Taskinen, J.P, van Aalten, D.M, Knudsen, J, Wierenga, R.K.
Deposit date:2006-01-02
Release date:2006-10-31
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High resolution crystal structures of unliganded and liganded human liver ACBP reveal a new mode of binding for the acyl-CoA ligand.
Proteins, 66, 2006
2CB8
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High resolution crystal structure of liganded human L-ACBP
Descriptor: 2-METHOXYETHANOL, ACYL-COA-BINDING PROTEIN, SULFATE ION, ...
Authors:Taskinen, J.P, van Aalten, D.M, Knudsen, J, Wierenga, R.K.
Deposit date:2006-01-03
Release date:2006-10-25
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:High Resolution Crystal Structures of Unliganded and Liganded Human Liver Acbp Reveal a New Mode of Binding for the Acyl-Coa Ligand.
Proteins: Struct., Funct., Bioinf., 66, 2007

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