1T2X
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![BU of 1t2x by Molmil](/molmil-images/mine/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: | 2023-08-23 | 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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7Q4I
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![BU of 7q4i by Molmil](/molmil-images/mine/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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2VZ3
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![BU of 2vz3 by Molmil](/molmil-images/mine/2vz3) | bleached galactose oxidase | Descriptor: | ACETATE ION, COPPER (II) ION, GALACTOSE OXIDASE | 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
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2VYO
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![BU of 2vyo by Molmil](/molmil-images/mine/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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8P0O
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![BU of 8p0o by Molmil](/molmil-images/mine/8p0o) | Crystal structure of AaNGT complexed to UDP-Gal | Descriptor: | 1,2-ETHANEDIOL, Adhesin, GALACTOSE-URIDINE-5'-DIPHOSPHATE | Authors: | Pinello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2023-05-10 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.76 Å) | Cite: | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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8P0Q
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![BU of 8p0q by Molmil](/molmil-images/mine/8p0q) | Crystal structure of AaNGT complexed to UDP and a peptide | Descriptor: | Adhesin, PHE-GLY-ASN-TRP-THR-THR, URIDINE-5'-DIPHOSPHATE | Authors: | Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2023-05-10 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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8P0P
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![BU of 8p0p by Molmil](/molmil-images/mine/8p0p) | Crystal structure of AaNGT complexed to UDP-2F-Glucose | Descriptor: | Adhesin, URIDINE-5'-DIPHOSPHATE, URIDINE-5'-DIPHOSPHATE-2-DEOXY-2-FLUORO-ALPHA-D-GLUCOSE | Authors: | Piniello, B, Macias-Leon, J, Rovira, C, Hurtado-Guerrero, R. | Deposit date: | 2023-05-10 | Release date: | 2023-09-06 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (2.73 Å) | Cite: | Molecular basis for bacterial N-glycosylation by a soluble HMW1C-like N-glycosyltransferase. Nat Commun, 14, 2023
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6YUG
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![BU of 6yug by Molmil](/molmil-images/mine/6yug) | Crystal structure of C. parvum GNA1 in complex with acetyl-CoA and glucose 6P. | Descriptor: | 6-O-phosphono-alpha-D-glucopyranose, ACETYL COENZYME *A, Diamine acetyltransferase | Authors: | Chi, J, Cova, M, de las Rivas, M, Medina, A, Borges, R, Leivar, P, Planas, A, Uson, I, Hurtado-Guerrero, R, Izquierdo, L. | Deposit date: | 2020-04-27 | Release date: | 2020-09-30 | Last modified: | 2020-11-04 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Plasmodium falciparum Apicomplexan-Specific Glucosamine-6-Phosphate N -Acetyltransferase Is Key for Amino Sugar Metabolism and Asexual Blood Stage Development. Mbio, 11, 2020
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6YI9
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![BU of 6yi9 by Molmil](/molmil-images/mine/6yi9) | Crystal structure of the rat cytosolic PCK1, acetylated on Lys244 | Descriptor: | 1,2-ETHANEDIOL, Phosphoenolpyruvate carboxykinase, cytosolic [GTP] | Authors: | Latorre-Muro, P, Baeza, J, Hurtado-Guerrero, R, Hicks, T, Delso, I, Hernandez-Ruiz, C, Velazquez-Campoy, A, Lawton, A.J, Angulo, J, Denu, J.M, Carrodeguas, J.A. | Deposit date: | 2020-04-01 | Release date: | 2020-12-23 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Self-acetylation at the active site of phosphoenolpyruvate carboxykinase (PCK1) controls enzyme activity. J.Biol.Chem., 296, 2021
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5A2J
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![BU of 5a2j by Molmil](/molmil-images/mine/5a2j) | Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | Descriptor: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5AJO
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![BU of 5ajo by Molmil](/molmil-images/mine/5ajo) | Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.48 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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8PN3
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![BU of 8pn3 by Molmil](/molmil-images/mine/8pn3) | |
8PN5
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![BU of 8pn5 by Molmil](/molmil-images/mine/8pn5) | |
8PMU
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![BU of 8pmu by Molmil](/molmil-images/mine/8pmu) | |
5AFV
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![BU of 5afv by Molmil](/molmil-images/mine/5afv) | Pharmacophore-based virtual screening to discover new active compounds for human choline kinase alpha1. | Descriptor: | 1,2-ETHANEDIOL, 1-benzyl-4-(benzylamino)-1H-1,2,4-triazol-4-ium, CHOLINE KINASE ALPHA | 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: | 2024-01-10 | 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
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6S24
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![BU of 6s24 by Molmil](/molmil-images/mine/6s24) | Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and the peptide 3 | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO, ... | Authors: | de las Rivas, M, Daniel, E.J.P, Narimatsu, Y, Companon, I, Kato, K, Hermosilla, P, Thureau, A, Ceballos-Laita, L, Coelho, H, Bernado, P, Marcelo, F, Hansen, L, Lostao, A, Corzana, F, Clausen, H, Gerken, T.A, Hurtado-Guerrero, R. | Deposit date: | 2019-06-20 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2.12 Å) | Cite: | Molecular basis for fibroblast growth factor 23 O-glycosylation by GalNAc-T3. Nat.Chem.Biol., 16, 2020
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6S22
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![BU of 6s22 by Molmil](/molmil-images/mine/6s22) | Crystal structure of the TgGalNAc-T3 in complex with UDP, manganese and FGF23c | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | de las Rivas, M, Daniel, E.J.P, Narimatsu, Y, Companon, I, Kato, K, Hermosilla, P, Thureau, A, Ceballos-Laita, L, Coelho, H, Bernado, P, Marcelo, F, Hansen, L, Lostao, A, Corzana, F, Clausen, H, Gerken, T.A, Hurtado-Guerrero, R. | Deposit date: | 2019-06-20 | Release date: | 2019-12-25 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.96 Å) | Cite: | Molecular basis for fibroblast growth factor 23 O-glycosylation by GalNAc-T3. Nat.Chem.Biol., 16, 2020
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6H0B
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![BU of 6h0b by Molmil](/molmil-images/mine/6h0b) | Crystal structure of the human GalNAc-T4 in complex with UDP, manganese and the diglycopeptide 6. | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, ALA-THR-GLY-ALA-GLY-ALA-GLY-ALA-GLY-THR-THR-PRO-GLY-PRO-GLY, ... | Authors: | de las Rivas, M, Daniel, E.J.P, Coelho, H, Lira-Navarrete, E, Raich, L, Companon, I, Diniz, A, Lagartera, L, Jimenez-Barbero, J, Clausen, H, Rovira, C, Marcelo, F, Corzana, F, Gerken, T.A, Hurtado-Guerrero, R. | Deposit date: | 2018-07-08 | Release date: | 2018-10-10 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural and Mechanistic Insights into the Catalytic-Domain-Mediated Short-Range Glycosylation Preferences of GalNAc-T4. ACS Cent Sci, 4, 2018
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8PE2
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![BU of 8pe2 by Molmil](/molmil-images/mine/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: | 2024-08-21 | 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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8PE1
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![BU of 8pe1 by Molmil](/molmil-images/mine/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: | 2024-08-21 | 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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5N7B
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![BU of 5n7b by Molmil](/molmil-images/mine/5n7b) | Understanding the singular conformational landscape of the Tn antigens: Sulfur-for- oxygen substitution in the glycosidic linkage provides new insights into molecular recognition by an antibody | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD(CG6)RP(NH2) peptide, ... | Authors: | Companon, I, Martinez-Saez, N, Castro-Lopez, J, Jimenez-Barbero, J, Bernardes, G.J.L, Busto, J.H, Avenoza, A, Jimenez-Oses, G, Hurtado-Guerrero, R, Peregrina, J.M, Corzana, F. | Deposit date: | 2017-02-20 | Release date: | 2018-06-27 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.7 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
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5A2L
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![BU of 5a2l by Molmil](/molmil-images/mine/5a2l) | Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ... | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5AJN
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![BU of 5ajn by Molmil](/molmil-images/mine/5ajn) | Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.67 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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5A2K
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![BU of 5a2k by Molmil](/molmil-images/mine/5a2k) | Crystal structure of scFv-SM3 in complex with APD-TGalNAc-RP | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | Authors: | Martinez-Saez, N, Castro-Lopez, J, Valero-Gonzalez, J, Madariaga, D, Companon, I, Somovilla, V.J, Salvado, M, Asensio, J.L, Jimenez-Barbero, J, Avenoza, A, Busto, J.H, Bernardes, G.J.L, Peregrina, J.M, Hurtado-Guerrero, R, Corzana, F. | Deposit date: | 2015-05-20 | Release date: | 2015-06-03 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Deciphering the Non-Equivalence of Serine and Threonine O-Glycosylation Points: Implications for Molecular Recognition of the Tn Antigen by an Anti-Muc1 Antibody. Angew.Chem.Int.Ed.Engl., 54, 2015
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5AJP
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![BU of 5ajp by Molmil](/molmil-images/mine/5ajp) | Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13 | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ... | Authors: | Lira-Navarrete, E, delasRivas, M, Companon, I, Pallares, M.C, Kong, Y, Iglesias-Fernandez, J, Bernardes, G.J.L, Peregrina, J.M, Rovira, C, Bernado, P, Bruscolini, P, Clausen, H, Lostao, A, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2015-02-26 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation. Nat.Commun., 6, 2015
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