Author results

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:2011-07-13
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
2UY3
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SCCTS1_8-CHLOROTHEOPHYLLINE CRYSTAL STRUCTURE
Descriptor:ENDOCHITINASE, 8-CHLORO-1,3-DIMETHYL-3,7-DIHYDRO-1H-PURINE-2,6-DIONE
Authors:Hurtado-Guerrero, R., Van Aalten, D.M.F.
Deposit date:2007-04-02
Release date:2007-04-24
Last modified:2011-07-13
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
2UY4
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SCCTS1_ACETAZOLAMIDE CRYSTAL STRUCTURE
Descriptor:ENDOCHITINASE, 5-ACETAMIDO-1,3,4-THIADIAZOLE-2-SULFONAMIDE
Authors:Hurtado-Guerrero, R., van Aalten, D.M.F.
Deposit date:2007-04-02
Release date:2007-04-24
Last modified:2011-07-13
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
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:2011-07-13
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
2VEZ
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AFGNA1 CRYSTAL STRUCTURE COMPLEXED WITH ACETYL-COA AND GLUCOSE-6P GIVES NEW INSIGHTS INTO CATALYSIS
Descriptor:PUTATIVE GLUCOSAMINE 6-PHOSPHATE ACETYLTRANSFERASE, ACETYL COENZYME *A, ALPHA-D-GLUCOSE-6-PHOSPHATE, ...
Authors:Hurtado-Guerrero, R., Raimi, O., Shepherd, S., van Aalten, D.M.F.
Deposit date:2007-10-27
Release date:2009-03-10
Last modified:2017-07-12
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Glucose-6-Phosphate as a Probe for the Glucosamine- 6-Phosphate N-Acetyltransferase Michaelis Complex.
FEBS Lett., 581, 2007
2VXK
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STRUCTURAL COMPARISON BETWEEN ASPERGILLUS FUMIGATUS AND HUMAN GNA1
Descriptor:GLUCOSAMINE 6-PHOSPHATE ACETYLTRANSFERASE, N-ACETYL-D-GLUCOSAMINE-6-PHOSPHATE, PHOSPHATE ION, ...
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:2011-07-13
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
2WZF
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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:2011-07-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase.
Biochem.J., 426, 2010
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:2018-05-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Mechanism of Elongation Factor 1A Inhibition by a Legionella Pneumophila Glycosyltransferase.
Biochem.J., 426, 2010
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:2011-07-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W62
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SACCHAROMYCES CEREVISIAE GAS2P IN COMPLEX WITH LAMINARIPENTAOSE
Descriptor:GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, BETA-D-GLUCOSE, 1,4-BUTANEDIOL
Authors:Schuettelkopf, A.W., Hurtado-Guerrero, R., van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-01-27
Last modified:2012-02-08
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
2W63
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SACCHAROMYCES CEREVISIAE GAS2P IN COMPLEX WITH LAMINARITRIOSE AND LAMINARITETRAOSE
Descriptor:GLYCOLIPID-ANCHORED SURFACE PROTEIN 2, BETA-D-GLUCOSE
Authors:Schuettelkopf, A.W., Hurtado-Guerrero, R., Van Aalten, D.M.F.
Deposit date:2008-12-16
Release date:2009-01-27
Last modified:2011-09-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Molecular Mechanisms of Yeast Cell Wall Glucan Remodeling.
J.Biol.Chem., 284, 2009
5NDF
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SMALL-MOLECULE INHIBITION OF PPGALNAC-TS SELECTIVELY REDUCES MUCIN-TYPE O-GLYCOSYLATION
Descriptor:Polypeptide N-acetylgalactosaminyltransferase 2, MANGANESE (II) ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Hurtado-Guerrero, R., De las Rivas, M.
Deposit date:2017-03-08
Release date:2017-11-01
Last modified:2018-01-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:The small molecule luteolin inhibits N-acetyl-alpha-galactosaminyltransferases and reduces mucin-type O-glycosylation of amyloid precursor protein.
J. Biol. Chem., 292, 2017
3ZY2
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CRYSTAL STRUCTURE OF POFUT1 IN COMPLEX WITH GDP (HIGH RESOLUTION DATASET)
Descriptor:PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, MANGANESE (II) ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Lira-Navarrete, E., Valero-Gonzalez, J., Villanueva, R., Martinez-Julvez, M., Tejero, T., Merino, P., Panjikar, S., Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
3ZY3
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CRYSTAL STRUCTURE OF POFUT1 IN COMPLEX WITH GDP (CRYSTAL-FORM-III)
Descriptor:PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, SULFATE ION, GUANOSINE-5'-DIPHOSPHATE
Authors:Lira-Navarrete, E., Valero-Gonzalez, J., Villanueva, R., Martinez-Julvez, M., Tejero, T., Merino, P., Panjikar, S., Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
3ZY4
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CRYSTAL STRUCTURE OF POFUT1 APO-FORM (CRYSTAL-FORM-I)
Descriptor:PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, SULFATE ION, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
Authors:Lira-Navarrete, E., Valero-Gonzalez, J., Villanueva, R., Martinez-Julvez, M., Tejero, T., Merino, P., Panjikar, S., Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2011-10-12
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
3ZY5
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CRYSTAL STRUCTURE OF POFUT1 IN COMPLEX WITH GDP-FUCOSE (CRYSTAL-FORM-I)
Descriptor:PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, SULFATE ION, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE, ...
Authors:Lira-Navarrete, E., Valero-Gonzalez, J., Villanueva, R., Martinez-Julvez, M., Tejero, T., Merino, P., Panjikar, S., Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.96 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
3ZY6
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CRYSTAL STRUCTURE OF POFUT1 IN COMPLEX WITH GDP-FUCOSE (CRYSTAL-FORM-II)
Descriptor:PUTATIVE GDP-FUCOSE PROTEIN O-FUCOSYLTRANSFERASE 1, GUANOSINE-5'-DIPHOSPHATE-BETA-L-FUCOPYRANOSE
Authors:Lira-Navarrete, E., Valero-Gonzalez, J., Villanueva, R., Martinez-Julvez, M., Tejero, T., Merino, P., Panjikar, S., Hurtado-Guerrero, R.
Deposit date:2011-08-17
Release date:2011-09-14
Last modified:2018-04-04
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Structural Insights Into the Mechanism of Protein O-Fucosylation.
Plos One, 6, 2011
4ANP
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CRYSTAL STRUCTURE OF HUMAN PHENYLALANINE HYDROXYLASE IN COMPLEX WITH A PHARMACOLOGICAL CHAPERONE
Descriptor:PHENYLALANINE-4-HYDROXYLASE, FE (III) ION, 5,6-DIMETHYL-3-(4-METHYL-2-PYRIDINYL)-2-THIOXO-2,3-DIHYDROTHIENO[2,3- D]PYRIMIDIN-4(1H)-ONE
Authors:Torreblanca, R., Lira-Navarrete, E., Sancho, J., Hurtado-Guerrero, R.
Deposit date:2012-03-21
Release date:2012-04-11
Last modified:2012-07-25
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:Structural and Mechanistic Basis of the Interaction between a Pharmacological Chaperone and Human Phenylalanine Hydroxylase.
Chembiochem, 13, 2012
5AFV
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PHARMACOPHORE-BASED VIRTUAL SCREENING TO DISCOVER NEW ACTIVE COMPOUNDS FOR HUMAN CHOLINE KINASE ALPHA1.
Descriptor:CHOLINE KINASE ALPHA, 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium
Authors:Serran-Aguilera, L., Nuti, R., Lopez-Cara, L.C., Gallo Mezo, M.A., Macchiarulo, A., Entrena, A., Hurtado-Guerrero, R.
Deposit date:2015-01-26
Release date:2015-03-18
Last modified:2017-09-13
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Pharmacophore-Based Virtual Screening to Discover New Active Compounds for Human Choline Kinase Alpha1
Mol Inform, 34, 2015
5FTG
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HUMAN CHOLINE KINASE A1 IN COMPLEX WITH COMPOUND 1-[[4-[2-[4-[[4-(DIMETHYLAMINO)PYRIDIN-1- YL]METHYL]PHENOXY]ETHOXY]PHENYL]METHYL]-N,N- DIMETHYL-PYRIDIN-4-AMINE (COMPOUND 10A)
Descriptor:CHOLINE KINASE ALPHA, 1-[[4-[2-[4-[[4-(dimethylamino)pyridin-1-yl]methyl]phenoxy]ethoxy]phenyl]methyl]-N,N-dimethyl-pyridin-4-amine, 1,2-ETHANEDIOL
Authors:Schiaffino-Ortega, S., Baglioni, E., Mariotto, E., Bortolozzi, R., Serran-Aguilera, L., Rios-Marco, P., Carrasco-Jimenez, M.P., Gallo, M.A., Hurtado-Guerrero, R., Marco, C., Basso, G., Viola, G., Entrena, A., Lopez-Cara, L.C.
Deposit date:2016-01-13
Release date:2016-03-23
Last modified:2016-12-07
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:Design, Synthesis, Crystallization and Biological Evaluation of New Symmetrical Biscationic Compounds as Selective Inhibitors of Human Choline Kinase Alpha1 (Chokalpha1)
Sci.Rep., 6, 2016
6FRJ
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CRYSTAL STRUCTURE OF SCFV-SM3 IN COMPLEX WITH APD-SETHRGALNAC-RP
Descriptor:scFv-SM3, APD-SeThr-RP, 1,2-ETHANEDIOL, ...
Authors:Companon, I., Castro-Lopez, J., Escudero-Casao, M., Avenoza, A., Busto, J.H., Castillon, S., Jimenez-Barbero, J., Bernardes, G.J., Boutureira, O., Jimenez-Oses, G., Asensio, J.L., Peregrina, J.M., Hurtado-Guerrero, R., Corzana, F.
Deposit date:2018-02-16
Release date:2019-02-20
Last modified:2019-03-13
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Structure-Based Design of Potent Tumor-Associated Antigens: Modulation of Peptide Presentation by Single-Atom O/S or O/Se Substitutions at the Glycosidic Linkage.
J. Am. Chem. Soc., 141, 2019
1T2X
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GLACTOSE OXIDASE C383S MUTANT IDENTIFIED BY DIRECTED EVOLUTION
Descriptor:Galactose Oxidase, SODIUM ION, COPPER (II) ION, ...
Authors:Wilkinson, D., Akumanyi, N., Hurtado-Guerrero, R., Dawkes, H., Knowles, P.F., Phillips, S.E.V., McPherson, M.J.
Deposit date:2004-04-23
Release date:2004-05-18
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural and kinetic studies of a series of mutants of galactose oxidase identified by directed evolution.
Protein Eng.Des.Sel., 17, 2004
2VYO
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CHITIN DEACETYLASE FAMILY MEMBER FROM ENCEPHALITOZOON CUNICULI
Descriptor:POLYSACCHARIDE DEACETYLASE DOMAIN-CONTAINING PROTEIN ECU11_0510, CALCIUM ION, ZINC 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:2012-08-29
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
2VZ1
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PREMAT-GALACTOSE OXIDASE
Descriptor:GALACTOSE OXIDASE, CALCIUM ION, ACETATE ION
Authors:Rogers, M.S., Hurtado-Guerrero, R., Firbank, S.J., Halcrow, M.A., Dooley, D.M., Phillips, S.E.V., Knowles, P.F., McPherson, M.J.
Deposit date:2008-07-29
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cross-Link Formation of the Cysteine 228-Tyrosine 272 Catalytic Cofactor of Galactose Oxidase Does not Require Dioxygen.
Biochemistry, 47, 2008
2VZ3
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BLEACHED GALACTOSE OXIDASE
Descriptor:GALACTOSE OXIDASE, ACETATE ION, COPPER (II) ION
Authors:Rogers, M.S., Hurtado-Guerrero, R., Firbank, S.J., Halcrow, M.A., Dooley, D.M., Phillips, S.E.V., Knowles, P.F., McPherson, M.J.
Deposit date:2008-07-29
Release date:2008-09-16
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Cross-Link Formation of the Cysteine 228-Tyrosine 272 Catalytic Cofactor of Galactose Oxidase Does not Require Dioxygen.
Biochemistry, 47, 2008