5M17
 
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2016-10-07 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
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5M3W
 | | Structure of the GH99 endo-alpha-mannanase from Bacteroides xylanisolvens in complex with mannose-alpha-1,3-1,2-dideoxymannose and alpha-1,2-mannobiose | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, Glycosyl hydrolase family 71, ... | | Authors: | Petricevic, M, Sobala, L.F, Fernandes, P.Z, Raich, L, Thompson, A.J, Bernardo-Seisdedos, G, Millet, O, Zhu, S, Sollogoub, M, Rovira, C, Jimenez-Barbero, J, Davies, G.J, Williams, S.J. | | Deposit date: | 2016-10-17 | | Release date: | 2017-01-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.04 Å) | | Cite: | Contribution of Shape and Charge to the Inhibition of a Family GH99 endo-alpha-1,2-Mannanase.
J. Am. Chem. Soc., 139, 2017
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6FRJ
 | | Crystal structure of scFv-SM3 in complex with APD-SeThrGalNAc-RP | | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, APD-SeThr-RP, ... | | 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: | 2024-01-17 | | 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
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6FZQ
 | | Crystal structure of scFv-SM3 in complex with compound 3 | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(difluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | | Authors: | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
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6FZR
 | | Crystal structure of scFv-SM3 in complex with compound 2 | | Descriptor: | 1,2-ETHANEDIOL, 2-deoxy-2-[(fluoroacetyl)amino]-alpha-D-galactopyranose, Mucin-1, ... | | Authors: | Bermejo, I.A, Usabiaga, I, Companon, I, Castro-Lopez, J, Insausti, A, Fernandez, J.A, Avenoza, A, Busto, J.H, Jimenez-Barbero, J, Asensio, J.L, Jimenez-Oses, G, Peregrina, J.M, Hurtado-Guerrero, R, Cocinero, E.J, Corzana, F. | | Deposit date: | 2018-03-15 | | Release date: | 2019-02-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Water Sculpts the Distinctive Shapes and Dynamics of the Tumor-Associated Carbohydrate Tn Antigens: Implications for Their Molecular Recognition.
J.Am.Chem.Soc., 140, 2018
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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: | 2024-01-17 | | 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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7OO2
 | | Crystal structure of an antibody targeting the capsular polysaccharide of serogroup X Neisseria meningitidis (MenX) | | Descriptor: | THIOCYANATE ION, anti-MenX Fab heavy chain, anti-MenX Fab light chain | | Authors: | Pietri, G.P, de Ruyck, J, Lenac, T, Adamo, R, Bouckaert, J. | | Deposit date: | 2021-05-26 | | Release date: | 2021-10-06 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.16 Å) | | Cite: | Elucidating the Structural and Minimal Protective Epitope of the Serogroup X Meningococcal Capsular Polysaccharide.
Front Mol Biosci, 8, 2021
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6QI4
 | | NCS-1 bound to a ligand | | Descriptor: | 2-(1~{H}-indol-3-yl)-~{N}-[(~{E})-(4-nitro-3-oxidanyl-phenyl)methylideneamino]ethanamide, ACETATE ION, CALCIUM ION, ... | | Authors: | Sanchez-Barrena, M.J, Blanco-Gabella, P. | | Deposit date: | 2019-01-17 | | Release date: | 2019-07-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Insights into real-time chemical processes in a calcium sensor protein-directed dynamic library.
Nat Commun, 10, 2019
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7MFL
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7MFK
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8RDF
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8RDA
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7BE3
 | | Human Galectin-3 in complex with LacdiNAc | | Descriptor: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | | Authors: | Trovao, F, Carvalho, A.L. | | Deposit date: | 2020-12-22 | | Release date: | 2021-04-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | Structural Insights into the Molecular Recognition Mechanism of the Cancer and Pathogenic Epitope, LacdiNAc by Immune-Related Lectins.
Chemistry, 27, 2021
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8RCY
 | | L-SIGN CRD in complex with Man84. | | Descriptor: | 1-[[1-[(2S,3S,4R,5S,6R)-2-(2-chloroethyloxy)-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-3-yl]-1,2,3-triazol-4-yl]methyl]guanidine, C-type lectin domain family 4 member M, CALCIUM ION, ... | | Authors: | Thepaut, M, Bouchikri, C, Pollastri, S, Bernardi, A, Fieschi, F. | | Deposit date: | 2023-12-07 | | Release date: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Unprecedented selectivity for homologous lectin targets: differential targeting of the viral receptors L-SIGN and DC-SIGN.
Chem Sci, 15, 2024
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7QUH
 | | Siglec-8 in complex with therapeutic Fab AK002. | | Descriptor: | Sialic acid-binding Ig-like lectin 8, Sialic acid-binding immunoglobulin-type lectin | | Authors: | Lenza, M.P, Oyenarte, I, Jimenez Barbero, J, Ereno Orbea, J. | | Deposit date: | 2022-01-18 | | Release date: | 2023-05-31 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.867 Å) | | Cite: | Structures of the Inhibitory Receptor Siglec-8 in Complex with a High-Affinity Sialoside Analogue and a Therapeutic Antibody.
Jacs Au, 3, 2023
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6MD6
 | | CRYSTAL STRUCTURE ANALYSIS OF PLANT EXOHYDROLASE IN COMPLEX WITH METHYL 2-THIO-BETA-SOPHOROSIDE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ... | | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | | Deposit date: | 2018-09-04 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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6MI1
 | | CRYSTAL STRUCTURE ANALYSIS OF THE VARIANT PLANT EXOHYDROLASE ARG158ALA-GLU161ALA IN COMPLEX WITH METHYL 6-THIO-BETA-GENTIOBIOSIDE | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, GLYCEROL, ... | | Authors: | Streltsov, V.A, Luang, S, Hrmova, M. | | Deposit date: | 2018-09-18 | | Release date: | 2019-05-29 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site.
Nat Commun, 10, 2019
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6Y54
 | | Crystal structure of a Neisseria meningitidis serogroup A capsular oligosaccharide bound to a functional Fab | | Descriptor: | 1,2-ETHANEDIOL, Fab A1.1 H chain, Fab A1.1 L chain, ... | | Authors: | Dello Iacono, L, Henriques, P, Adamo, R. | | Deposit date: | 2020-02-24 | | Release date: | 2020-10-07 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Structure of a protective epitope reveals the importance of acetylation of Neisseria meningitidis serogroup A capsular polysaccharide.
Proc.Natl.Acad.Sci.USA, 117, 2020
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2MWL
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2W67
 | | BtGH84 in complex with FMA34 | | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3S,4R,5R,6R)-4,5,6-trihydroxyazepan-3-yl]acetamide, ... | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2008-12-17 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
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3K1X
 | | Acidic Fibroblast Growth Factor (FGF-1) complexed with dobesilate | | Descriptor: | 2,5-dihydroxybenzenesulfonic acid, Heparin-binding growth factor 1 | | Authors: | Romero, A, Fernandez, I.S, Gimenez-Gallego, G. | | Deposit date: | 2009-09-29 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
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2W66
 | | BtGH84 in complex with HQ602 | | Descriptor: | CALCIUM ION, GLYCEROL, N-[(3R,4S,5R,6R,7R)-3,5,6-trihydroxy-7-(hydroxymethyl)azepan-4-yl]acetamide, ... | | Authors: | He, Y, Davies, G.J. | | Deposit date: | 2008-12-17 | | Release date: | 2009-04-14 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Molecular Basis for Inhibition of Gh84 Glycoside Hydrolases by Substituted Azepanes: Conformational Flexibility Enables Probing of Substrate Distortion.
J.Am.Chem.Soc., 131, 2009
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3JUT
 | | Acidic Fibroblast Growth Factor (FGF-1) complexed with gentisic acid | | Descriptor: | 2,5-dihydroxybenzoic acid, Heparin-binding growth factor 1 | | Authors: | Fernandez, I.S, Gimenez-Gallego, G, Romero, A. | | Deposit date: | 2009-09-15 | | Release date: | 2010-02-02 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Gentisic acid, a compound associated with plant defense and a metabolite of aspirin, heads a new class of in vivo fibroblast growth factor inhibitors.
J.Biol.Chem., 285, 2010
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3LSD
 | | N-Domain of human adhesion/growth-regulatory galectin-9 | | Descriptor: | Galectin-9 | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2010-02-12 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
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3LSE
 | | N-Domain of human adhesion/growth-regulatory galectin-9 in complex with lactose | | Descriptor: | Galectin-9, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | | Authors: | Ruiz, F.M, Romero, A. | | Deposit date: | 2010-02-12 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
Int.J.Biochem.Cell Biol., 42, 2010
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