9FBD
 
 | | Crystal structure of 3-hydroxybutyryl-CoA dehydrogenase from Thermus thermophilus HB27 complexed to NAD+ | | Descriptor: | 3-hydroxybutyryl-CoA dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hurtado-Guerrero, R, Macias-Leon, J, Gines-Alcober, I, Gonzalez-Ramirez, A.M. | | Deposit date: | 2024-05-13 | | Release date: | 2025-03-19 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Loop engineering of enzymes to control their immobilization and ultimately fabricate more efficient heterogeneous biocatalysts.
Protein Sci., 34, 2025
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8AY1
 | | Crystal structure of the C. elegans POFUT2 (CePoFUT2) triple mutant (R298K-R299K-A418C) in complex with the Rattus norvegicus TSR4 single mutant (E10C) from F-spondin | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Spondin-1, ... | | Authors: | Hurtado-Guerrero, R, Merino, P. | | Deposit date: | 2022-09-01 | | Release date: | 2022-10-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.13 Å) | | Cite: | The Essential Role of Water Molecules in the Reaction Mechanism of Protein O-Fucosyltransferase 2.
Angew.Chem.Int.Ed.Engl., 61, 2022
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5NDF
 | | Small-molecule inhibition of ppGalNAc-Ts selectively reduces mucin-type O-glycosylation | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, MANGANESE (II) ION, ... | | Authors: | Hurtado-Guerrero, R, De las Rivas, M. | | Deposit date: | 2017-03-08 | | Release date: | 2017-11-01 | | Last modified: | 2024-11-20 | | 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
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2UY5
 | | 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: | 2024-10-23 | | 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
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2UY2
 | | 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: | 2024-11-06 | | 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
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2UY4
 | | 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: | 2024-11-13 | | 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
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2VEZ
 | | AfGNA1 crystal structure complexed with Acetyl-CoA and Glucose-6P gives new insights into catalysis | | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, PHOSPHATE ION, ... | | 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: | 2024-05-08 | | 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
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2UY3
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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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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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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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7A06
 | | Structure of human CKa1 in complex with compound o | | Descriptor: | 1,2-ETHANEDIOL, 1-[(4-phenylphenyl)methyl]-4-pyrrolidin-1-yl-pyridine, Choline kinase alpha | | Authors: | Serran-Aguilera, L, Mariotto, E, Rubbini, G, Castro Navas, F.C, Marco, C, Carrasco-Jimenez, M.P, Ballarotto, M, Macchiarulo, A, Hurtado-Guerrero, R, Viola, G, Lopez-Cara, L.C. | | Deposit date: | 2020-08-06 | | Release date: | 2020-09-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Synthesis, biological evaluation, in silico modeling and crystallization of novel small monocationic molecules with potent antiproliferative activity by dual mechanism.
Eur.J.Med.Chem., 207, 2020
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8PE1
 | | Crystal structure of Gel4 in complex with Nanobody 4 | | Descriptor: | 1,3-beta-glucanosyltransferase, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 4, ... | | Authors: | Macias-Leon, J, Redrado-Hernandez, S, Castro-Lopez, J, Sanz, A.B, Arias, M, Farkas, V, Vincke, C, Muyldermans, S, Pardo, J, Arroyo, J, Galvez, E, Hurtado-Guerrero, R. | | Deposit date: | 2023-06-13 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Broad Protection against Invasive Fungal Disease from a Nanobody Targeting the Active Site of Fungal beta-1,3-Glucanosyltransferases.
Angew.Chem.Int.Ed.Engl., 63, 2024
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8PE2
 | | Crystal structure of Gel4 in complex with Nanobody 3 | | Descriptor: | 1,3-beta-glucanosyltransferase, 2-acetamido-2-deoxy-beta-D-glucopyranose, Nanobody 3, ... | | Authors: | Macias-Leon, J, Redrado-Hernandez, S, Castro-Lopez, J, Sanz, A.B, Arias, M, Farkas, V, Vincke, C, Muyldermans, S, Pardo, J, Arroyo, J, Galvez, E, Hurtado-Guerrero, R. | | Deposit date: | 2023-06-13 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Broad Protection against Invasive Fungal Disease from a Nanobody Targeting the Active Site of Fungal beta-1,3-Glucanosyltransferases.
Angew.Chem.Int.Ed.Engl., 63, 2024
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7Q4I
 | | Crystal structure of DmC1GalT1 in complex with UDP-Mn2+ and the APD-TGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Glycoprotein-N-acetylgalactosamine 3-beta-galactosyltransferase 1, ... | | Authors: | Gonzalez-Ramirez, A.M, Coelho, H, Companon, I, Grosso, A.S, Yang, Z, Narimatsu, Y, Clausen, H, Marcelo, F, Corzana, F, Hurtado-Guerrero, R. | | Deposit date: | 2021-10-31 | | Release date: | 2022-04-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis for the synthesis of the core 1 structure by C1GalT1.
Nat Commun, 13, 2022
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5FV9
 | | Crystal structure of GalNAc-T2 in complex with compound 16d | | Descriptor: | 1,2-ETHANEDIOL, GALNAC-T2, GLYCEROL, ... | | Authors: | Ghirardello, M, Rivas, M, Lacetera, A, Delso, I, Lira-Navarrete, E, Tejero, T, Martin-Santamaria, S, Hurtado-Guerrero, R, Merino, P. | | Deposit date: | 2016-02-03 | | Release date: | 2016-03-09 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Glycomimetics Targeting Glycosyltransferases: Synthetic, Computational and Structural Studies of Less-Polar Conjugates.
Chemistry, 22, 2016
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5FXC
 | | Crystal structure of glycopeptide 22 in complex with scFv-SM3 | | Descriptor: | 1,2-ETHANEDIOL, GLYCOPEPTIDE, SCFV-SM3 | | Authors: | Rojas-Ocariz, V, Companon, I, Aydillo, C, Castro-Lopez, J, Jimenez-Barbero, J, Hurtado-Guerrero, R, Avenoza, A, Zurbano, M.M, Corzana, F, Busto, J.H, Peregrina, J.M. | | Deposit date: | 2016-02-29 | | Release date: | 2016-06-29 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (2.05 Å) | | Cite: | Design of Alpha-S-Glycopeptides Derived from Muc1 with a Flexible and Solvent Exposed Sugar Moiety
J.Org.Chem., 81, 2016
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7YYK
 | | Crystal structure of the O-fucosylated form of TSRs1-3 from the human thrombospondin 1 | | Descriptor: | 1,2-ETHANEDIOL, Thrombospondin-1, alpha-L-fucopyranose | | Authors: | Berardinelli, S.J, Eletsky, A, Valero-Gonzalez, J, Ito, A, Manjunath, R, Hurtado-Guerrero, R, Prestegard, J.R, Woods, R.J, Haltiwanger, R.S. | | Deposit date: | 2022-02-18 | | Release date: | 2022-05-25 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | O-fucosylation stabilizes the TSR3 motif in thrombospondin-1 by interacting with nearby amino acids and protecting a disulfide bond.
J.Biol.Chem., 298, 2022
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7YX8
 | | Crystal structure of the AM0627 (E326A) inactive mutant in complex with PSGL-1-like bis-T glycopeptide and Zn2+ | | Descriptor: | GLYCEROL, PSGL-1-like bis-T glycopeptide, Peptidase M60 domain-containing protein, ... | | Authors: | Taleb, V, Liao, Q, Narimatsu, Y, Garcia-Garcia, A, Companon, I, Borges, R.J, Gonzalez-Ramirez, A.M, Corzana, F, Clausen, H, Rovira, C, Hurtado-Guerrero, R. | | Deposit date: | 2022-02-15 | | Release date: | 2022-07-20 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Structural and mechanistic insights into the cleavage of clustered O-glycan patches-containing glycoproteins by mucinases of the human gut.
Nat Commun, 13, 2022
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8AXH
 | | Crystal structure of a MUC1-like glycopeptide containing the unnatural L-4-hydroxynorvaline in complex with scFv-SM3 | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, Mucin-1 subunit alpha, ... | | Authors: | Bermejo, I, Corzana, F, Hurtado-Guerrero, R. | | Deposit date: | 2022-08-31 | | Release date: | 2023-08-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Structure-Guided Approach for the Development of MUC1-Glycopeptide-Based Cancer Vaccines with Predictable Responses.
Jacs Au, 4, 2024
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6EGS
 | | Crystal structure of the GalNAc-T2 F104S mutant in complex with UDP-GalNAc | | Descriptor: | MANGANESE (II) ION, Polypeptide N-acetylgalactosaminyltransferase 2, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE | | Authors: | de las Rivas, M, Coelho, H, Diniz, A, Lira-Navarrete, E, Jimenez-Barbero, J, Schjoldager, K.T, Bennett, E.P, Vakhrushev, S.Y, Clausen, H, Corzana, F, Marcelo, F, Hurtado-Guerrero, R. | | Deposit date: | 2017-09-12 | | Release date: | 2018-04-11 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structural Analysis of a GalNAc-T2 Mutant Reveals an Induced-Fit Catalytic Mechanism for GalNAc-Ts.
Chemistry, 24, 2018
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5FUT
 | | Human choline kinase a1 in complex with compound 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin- 1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium (compound BR25) | | Descriptor: | 1,2-ETHANEDIOL, 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, CHOLINE KINASE ALPHA | | Authors: | Serran-Aguilera, L, Denton, H, Rubio-Ruiz, B, Lopez-Gutierrez, B, Entrena, A, Izquierdo, L, Smith, T.K, Conejo-Garcia, A, Hurtado-Guerrero, R. | | Deposit date: | 2016-01-29 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Plasmodium Falciparum Choline Kinase Inhibition Leads to a Major Decrease in Phosphatidylethanolamine Causing Parasite Death.
Sci.Rep., 6, 2016
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1T2X
 | | Glactose oxidase C383S mutant identified by directed evolution | | Descriptor: | ACETATE ION, COPPER (II) ION, Galactose Oxidase, ... | | 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: | 2024-10-09 | | 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
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5LJL
 | | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | | Descriptor: | Flavodoxin, PHOSPHATE ION | | Authors: | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-31 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
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5LJI
 | | Streptococcus pneumonia TIGR4 flavodoxin: structural and biophysical characterization of a novel drug target | | Descriptor: | CALCIUM ION, FLAVIN MONONUCLEOTIDE, Flavodoxin | | Authors: | Rodriguez-Cardenas, A, Rojas, A.L, Velazquez-Campoy, A, Hurtado-Guerrero, R, Sancho, J. | | Deposit date: | 2016-07-18 | | Release date: | 2016-08-31 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Streptococcus pneumoniae TIGR4 Flavodoxin: Structural and Biophysical Characterization of a Novel Drug Target.
Plos One, 11, 2016
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