2W62
| Saccharomyces cerevisiae Gas2p in complex with laminaripentaose | Descriptor: | 1,4-BUTANEDIOL, GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose | Authors: | Schuettelkopf, A.W, Hurtado-Guerrero, R, van Aalten, D.M.F. | Deposit date: | 2008-12-16 | Release date: | 2009-01-27 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling. J.Biol.Chem., 284, 2009
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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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2WB5
| GlcNAcstatins are nanomolar inhibitors of human O-GlcNAcase inducing cellular hyper-O-GlcNAcylation | Descriptor: | (5R,6R,7R,8S)-6,7-dihydroxy-5-(hydroxymethyl)-2-(2-phenylethyl)-8-(propanoylamino)-5,6,7,8-tetrahydro-1H-imidazo[1,2-a]pyridin-4-ium, CHLORIDE ION, O-GLCNACASE NAGJ, ... | Authors: | Dorfmueller, H.C, Borodkin, V.S, Schimpl, M, van Aalten, D.M.F. | Deposit date: | 2009-02-20 | Release date: | 2009-03-31 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.31 Å) | Cite: | Glcnacstatins are Nanomolar Inhibitors of Human O-Glcnacase Inducing Cellular Hyper-O-Glcnacylation Biochem.J., 420, 2009
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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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2W61
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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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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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2WTK
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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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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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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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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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2XVP
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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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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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2XTK
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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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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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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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1UVR
| Structure of human PDK1 kinase domain in complex with BIM-8 | Descriptor: | 3-PHOSPHOINOSITIDE DEPENDENT PROTEIN KINASE-1, 3-[1-(3-AMINOPROPYL)-1H-INDOL-3-YL]-4-(1-METHYL-1H-INDOL-3-YL)-1H-PYRROLE-2,5-DIONE, GLYCEROL, ... | Authors: | Komander, D, Garrido-Franco, M, Kular, G.S, Schuttelkopf, A.W, Deak, M, Prakash, K.R, Bain, J, Elliot, M, Kozikowski, A.P, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2004-01-22 | Release date: | 2004-03-04 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.81 Å) | Cite: | Interactions of Ly333531 and Other Bisindolyl Maleimide Inhibitors with Pdk1 Structure, 12, 2004
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1UPK
| Crystal structure of MO25 in complex with a C-terminal peptide of STRAD | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, MO25 PROTEIN, STE-20 RELATED ADAPTOR | Authors: | Milburn, C.C, Boudeau, J, Deak, M, Alessi, D.R, Van Aalten, D.M.F. | Deposit date: | 2003-10-07 | Release date: | 2004-01-22 | Last modified: | 2019-04-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Crystal Structure of Mo25 Alpha in Complex with the C-Terminus of the Pseudo Kinase Ste-20 Related Adaptor (Strad) Nat.Struct.Mol.Biol., 11, 2004
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