5A2L
 
 | | Crystal structure of scFv-SM3 in complex with APD-CGalNAc-RP | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MODIFIED ANTIGEN TN, ... | | 著者 | 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. | | 登録日 | 2015-05-20 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | 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
 | | Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-Cys13 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, ... | | 著者 | 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. | | 登録日 | 2015-02-26 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.67 Å) | | 主引用文献 | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
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5AJP
 | | Crystal structure of the active form of GalNAc-T2 in complex with UDP and the glycopeptide MUC5AC-13 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MANGANESE (II) ION, MUCIN, ... | | 著者 | 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. | | 登録日 | 2015-02-26 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
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5A2K
 | | Crystal structure of scFv-SM3 in complex with APD-TGalNAc-RP | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | | 著者 | 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. | | 登録日 | 2015-05-20 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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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5A2I
 | | Crystal structure of scFv-SM3 in complex with APD-SGalNAc-RP | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, ANTIGEN TN, ... | | 著者 | 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. | | 登録日 | 2015-05-20 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | 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
 | | Crystal structure of the inactive form of GalNAc-T2 in complex with the glycopeptide MUC5AC-3,13 | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, MUCIN, POLYPEPTIDE N-ACETYLGALACTOSAMINYLTRANSFERASE 2, ... | | 著者 | 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. | | 登録日 | 2015-02-26 | | 公開日 | 2015-03-11 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.48 Å) | | 主引用文献 | Dynamic Interplay between Catalytic and Lectin Domains of Galnac-Transferases Modulates Protein O-Glycosylation.
Nat.Commun., 6, 2015
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5A2J
 | | Crystal structure of scFv-SM3 in complex with the naked peptide APDTRP | | 分子名称: | 1,2-ETHANEDIOL, SCFV-SM3, THE NAKED PEPTIDE APDTRP | | 著者 | 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. | | 登録日 | 2015-05-20 | | 公開日 | 2015-06-03 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.65 Å) | | 主引用文献 | 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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2VYO
 | | Chitin deacetylase family member from Encephalitozoon cuniculi | | 分子名称: | 1,2-ETHANEDIOL, ACETATE ION, CALCIUM ION, ... | | 著者 | Urch, J.E, Hurtado-Guerrero, R, Texier, C, Van Aalten, D.M.F. | | 登録日 | 2008-07-25 | | 公開日 | 2008-08-12 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Structural and Functional Characterization of a Putative Polysaccharide Deacetylase of the Human Parasite Encephalitozoon Cuniculi.
Protein Sci., 18, 2009
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2XUC
 | | Natural product-guided discovery of a fungal chitinase inhibitor | | 分子名称: | 1-methyl-3-(N-methylcarbamimidoyl)urea, CHITINASE, CHLORIDE ION, ... | | 著者 | 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. | | 登録日 | 2010-10-18 | | 公開日 | 2010-10-27 | | 最終更新日 | 2019-01-23 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
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2XVN
 | | A. fumigatus chitinase A1 phenyl-methylguanylurea complex | | 分子名称: | 1-METHYL-3-(N-PHENYLCARBAMIMIDOYL)UREA, ASPERGILLUS FUMIGATUS CHITINASE A1, CHLORIDE ION | | 著者 | 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. | | 登録日 | 2010-10-26 | | 公開日 | 2010-11-03 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (2.35 Å) | | 主引用文献 | Natural Product-Guided Discovery of a Fungal Chitinase Inhibitor.
Chem.Biol., 17, 2010
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5FIH
 | | SACCHAROMYCES CEREVISIAE GAS2P (E176Q MUTANT) IN COMPLEX WITH LAMINARITETRAOSE AND LAMINARIPENTAOSE | | 分子名称: | 1,3-BETA-GLUCANOSYLTRANSFERASE, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose, beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-beta-D-glucopyranose-(1-3)-alpha-D-glucopyranose | | 著者 | Raich, L, Borodkin, V, van Aalten, D.M.F, Hurtado-Guerrero, R, Rovira, C. | | 登録日 | 2015-09-25 | | 公開日 | 2016-02-17 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | A Trapped Covalent Intermediate of a Glycoside Hydrolase on the Pathway to Transglycosylation. Insights from Experiments and Quantum Mechanics/Molecular Mechanics Simulations.
J. Am. Chem. Soc., 138, 2016
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5FOE
 | | Crystal structure of the C. elegans Protein O-fucosyltransferase 2 (CePOFUT2) double mutant (R298K-R299K) in complex with GDP and the human TSR1 from thrombospondin 1 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP-fucose protein O-fucosyltransferase 2,Thrombospondin-1, ... | | 著者 | Valero-Gonzalez, J, Leonhard-Melief, C, Lira-Navarrete, E, Jimenez-Oses, G, Hernandez-Ruiz, C, Pallares, M.C, Yruela, I, Vasudevan, D, Lostao, A, Corzana, F, Takeuchi, H, Haltiwanger, R.S, Hurtado-Guerrero, R. | | 登録日 | 2015-11-19 | | 公開日 | 2016-01-27 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.98 Å) | | 主引用文献 | A Proactive Role of Water Molecules in Acceptor Recognition of Thrombospondin Type 1 Repeats by Protein-O-Fucosyltransferase 2
Nat.Chem.Biol., 12, 2016
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5FXC
 | | Crystal structure of glycopeptide 22 in complex with scFv-SM3 | | 分子名称: | 1,2-ETHANEDIOL, GLYCOPEPTIDE, SCFV-SM3 | | 著者 | 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. | | 登録日 | 2016-02-29 | | 公開日 | 2016-06-29 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.05 Å) | | 主引用文献 | 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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5FV9
 | | Crystal structure of GalNAc-T2 in complex with compound 16d | | 分子名称: | 1,2-ETHANEDIOL, GALNAC-T2, GLYCEROL, ... | | 著者 | Ghirardello, M, Rivas, M, Lacetera, A, Delso, I, Lira-Navarrete, E, Tejero, T, Martin-Santamaria, S, Hurtado-Guerrero, R, Merino, P. | | 登録日 | 2016-02-03 | | 公開日 | 2016-03-09 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (2.07 Å) | | 主引用文献 | Glycomimetics Targeting Glycosyltransferases: Synthetic, Computational and Structural Studies of Less-Polar Conjugates.
Chemistry, 22, 2016
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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) | | 分子名称: | 1,2-ETHANEDIOL, 4-(dimethylamino)-1-{4-[4-(4-{[4-(pyrrolidin-1-yl)pyridinium-1-yl]methyl}phenyl)butyl]benzyl}pyridinium, CHOLINE KINASE ALPHA | | 著者 | Serran-Aguilera, L, Denton, H, Rubio-Ruiz, B, Lopez-Gutierrez, B, Entrena, A, Izquierdo, L, Smith, T.K, Conejo-Garcia, A, Hurtado-Guerrero, R. | | 登録日 | 2016-01-29 | | 公開日 | 2016-09-21 | | 最終更新日 | 2024-01-10 | | 実験手法 | X-RAY DIFFRACTION (1.6 Å) | | 主引用文献 | Plasmodium Falciparum Choline Kinase Inhibition Leads to a Major Decrease in Phosphatidylethanolamine Causing Parasite Death.
Sci.Rep., 6, 2016
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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 | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD(CG6)RP(NH2) peptide, ... | | 著者 | 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. | | 登録日 | 2017-02-20 | | 公開日 | 2018-06-27 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | 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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3ZC3
 | | FERREDOXIN-NADP REDUCTASE (MUTATION S80A) COMPLEXED WITH NADP BY COCRYSTALLIZATION | | 分子名称: | FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | 著者 | Martinez-Julvez, M, Hurtado-Guerrero, R, Herguedas, B, Sanchez-Azqueta, A, Hervas, M, Navarro, J.A, Medina, M. | | 登録日 | 2012-11-15 | | 公開日 | 2013-11-20 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | A Hydrogen Bond Network in the Active Site of Anabaena Ferredoxin-Nadp(+) Reductase Modulates its Catalytic Efficiency.
Biochim.Biophys.Acta, 1837, 2013
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3ZM9
 | | The mechanism of allosteric coupling in choline kinase a1 revealed by a rationally designed inhibitor | | 分子名称: | 1-(4-(4-(4-((6-amino-9H-purin-9-yl)methyl)phenyl)butyl)benzyl)-4- (dimethylamino)pyridinium, CHOLINE KINASE ALPHA | | 著者 | Sahun-Roncero, M, Rubio-Ruiz, B, Saladino, G, Conejo-Garcia, A, Espinosa, A, Velazquez-Campoy, A, Gervasio, F.L, Entrena, A, Hurtado-Guerrero, R. | | 登録日 | 2013-02-06 | | 公開日 | 2013-02-27 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | The Mechanism of Allosteric Coupling in Choline Kinase A1 Revealed by a Rationally Designed Inhibitor
Angew.Chem.Int.Ed.Engl., 52, 2013
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2VZ3
 | | bleached galactose oxidase | | 分子名称: | ACETATE ION, COPPER (II) ION, GALACTOSE OXIDASE | | 著者 | 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. | | 登録日 | 2008-07-29 | | 公開日 | 2008-09-16 | | 最終更新日 | 2011-07-13 | | 実験手法 | X-RAY DIFFRACTION (1.9 Å) | | 主引用文献 | 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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2VZ1
 | | Premat-galactose oxidase | | 分子名称: | ACETATE ION, CALCIUM ION, GALACTOSE OXIDASE | | 著者 | 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. | | 登録日 | 2008-07-29 | | 公開日 | 2008-09-16 | | 最終更新日 | 2023-12-13 | | 実験手法 | X-RAY DIFFRACTION (1.91 Å) | | 主引用文献 | 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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4B4D
 | | Crystal structure of FAD-containing ferredoxin-NADP reductase from Xanthomonas axonopodis pv. citri | | 分子名称: | CHLORIDE ION, FERREDOXIN-NADP REDUCTASE, FLAVIN-ADENINE DINUCLEOTIDE | | 著者 | Martinez-Julvez, M, Orellano, E.G, Tondo, M.L, Hurtado-Guerrero, R, Medina, M, Ceccarelli, E.A, Sanchez-Azqueta, A. | | 登録日 | 2012-07-30 | | 公開日 | 2013-08-21 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | Crystal Structure of Fad-Containing Ferredoxin- Nadp Reductase from Xanthomonas Axonopodis Pv. Citri
Biomed Res Int, 2013, 2013
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4BR3
 | | Determination of potential scaffolds for human choline kinase alpha 1 by chemical deconvolution studies | | 分子名称: | 1-((4'-((6-amino-3H-purin-3-yl)methyl)biphenyl-4-yl)methyl)-4-(dimethylamino)pyridinium, 3-benzyladenine, CHOLINE KINASE ALPHA, ... | | 著者 | Sahun-Roncero, M, Rubio-Ruiz, B, Conejo-Garcia, A, Velazquez-Campoy, A, Entrena, A, Hurtado-Guerrero, R. | | 登録日 | 2013-06-03 | | 公開日 | 2013-06-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Determination of Potential Scaffolds for Human Choline Kinase Alpha 1 by Chemical Deconvolution Studies
Chembiochem, 14, 2013
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4CG9
 | | Human choline kinase a1 in complex with compound 12 | | 分子名称: | CHOLINE KINASE ALPHA, N,N-dimethyl-1-[(4-phenylphenyl)methyl]pyridin-1-ium-4-amine | | 著者 | Rubio-Ruiz, B, Figuerola-Conchas, A, Ramos-Torrecillas, J, Capitan-Canadas, F, Rios-Marco, P, Carrasco, M.P, Gallo, M.A, Espinosa, A, Marco, C, Concepcion, C, Entrena-Guadix, A, Hurtado-Guerrero, R, Conejo-Garcia, A. | | 登録日 | 2013-11-21 | | 公開日 | 2014-01-15 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (1.83 Å) | | 主引用文献 | Discovery of a New Binding Site on Human Choline Kinase A1: Design, Synthesis, Crystallographic Studies and Biological Evaluation of Asymmetrical Bispyridinium Derivatives
J.Med.Chem., 57, 2014
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4D69
 | | SOYBEAN AGGLUTININ FROM GLYCINE MAX IN COMPLEX WITH THE ANTIGEN Tn | | 分子名称: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LECTIN, ... | | 著者 | Madariaga, D, Martinez-Saez, N, Somovilla, V.J, Coelho, H, Valero-Gonzalez, J, Castro-Lopez, J, Asensio, J.L, Jimenez-Barbero, J, Busto, J.H, Avenoza, A, Marcelo, F, Hurtado-Guerrero, R, Corzana, F, Peregrina, J.M. | | 登録日 | 2014-11-10 | | 公開日 | 2014-11-19 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | | 主引用文献 | Detection of Tumor-Associated Glycopeptides by Lectins: The Peptide Context Modulates Carbohydrate Recognition.
Acs Chem.Biol., 10, 2015
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4D0T
 | | GalNAc-T2 crystal soaked with UDP-GalNAc, EA2 peptide and manganese | | 分子名称: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, MANGANESE (II) ION, ... | | 著者 | Lira-Navarrete, E, Iglesias-Fernandez, J, Zandberg, W.F, Companon, I, Kong, Y, Corzana, F, Pinto, B.M, Clausen, H, Peregrina, J.M, Vocadlo, D, Rovira, C, Hurtado-Guerrero, R. | | 登録日 | 2014-04-30 | | 公開日 | 2014-05-28 | | 最終更新日 | 2023-12-20 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Substrate-Guided Front-Face Reaction Revealed by Combined Structural Snapshots and Metadynamics for the Polypeptide N-Acetylgalactosaminyltransferase 2.
Angew.Chem.Int.Ed.Engl., 53, 2014
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