5NQA
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![BU of 5nqa by Molmil](/molmil-images/mine/5nqa) | Crystal structure of GalNAc-T4 in complex with the monoglycopeptide 3 | Descriptor: | 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-galactopyranose, GLYCEROL, ... | Authors: | de las Rivas, M, Lira-Navarrete, E, Daniel, E.J.P, Companon, I, Coelho, H, Diniz, A, Jimenez-Barbero, J, Peregrina, J.M, Clausen, H, Corzana, F, Marcelo, F, Jimenez-Oses, G, Gerken, T.A, Hurtado-Guerrero, R. | Deposit date: | 2017-04-19 | Release date: | 2017-12-20 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | The interdomain flexible linker of the polypeptide GalNAc transferases dictates their long-range glycosylation preferences. Nat Commun, 8, 2017
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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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4D69
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![BU of 4d69 by Molmil](/molmil-images/mine/4d69) | SOYBEAN AGGLUTININ FROM GLYCINE MAX IN COMPLEX WITH THE ANTIGEN Tn | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, LECTIN, ... | Authors: | 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. | Deposit date: | 2014-11-10 | Release date: | 2014-11-19 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Detection of Tumor-Associated Glycopeptides by Lectins: The Peptide Context Modulates Carbohydrate Recognition. Acs Chem.Biol., 10, 2015
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6EGS
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![BU of 6egs by Molmil](/molmil-images/mine/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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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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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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2W67
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![BU of 2w67 by Molmil](/molmil-images/mine/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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2W66
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![BU of 2w66 by Molmil](/molmil-images/mine/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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6XIY
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![BU of 6xiy by Molmil](/molmil-images/mine/6xiy) | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to methyl 2-(acetylamino)-2-deoxy-1-thio-alpha-D-galactopyranose | Descriptor: | C-type lectin domain family 10 member A, CALCIUM ION, CHLORIDE ION, ... | Authors: | Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G. | Deposit date: | 2020-06-22 | Release date: | 2021-03-31 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.307 Å) | Cite: | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen. Biochemistry, 60, 2021
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7BE3
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![BU of 7be3 by Molmil](/molmil-images/mine/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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6R31
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![BU of 6r31 by Molmil](/molmil-images/mine/6r31) | Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide | Descriptor: | CALCIUM ION, Endoglucanase H, PHOSPHATE ION, ... | Authors: | Ribeiro, D.O, Carvalho, A.L. | Deposit date: | 2019-03-19 | Release date: | 2020-02-05 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum. Febs J., 287, 2020
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6R3M
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![BU of 6r3m by Molmil](/molmil-images/mine/6r3m) | Family 11 Carbohydrate-Binding Module from Clostridium thermocellum in complex with beta-1,3-1,4-mixed-linked tetrasaccharide | Descriptor: | ACETATE ION, CALCIUM ION, Endoglucanase H, ... | Authors: | Ribeiro, D.O, Carvalho, A.L. | Deposit date: | 2019-03-20 | Release date: | 2020-02-05 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Molecular basis for the preferential recognition of beta 1,3-1,4-glucans by the family 11 carbohydrate-binding module from Clostridium thermocellum. Febs J., 287, 2020
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6PY1
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![BU of 6py1 by Molmil](/molmil-images/mine/6py1) | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, ACETATE ION, C-type lectin domain family 10 member A, ... | Authors: | Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G. | Deposit date: | 2019-07-28 | Release date: | 2020-07-29 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.701 Å) | Cite: | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen. Biochemistry, 60, 2021
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6W12
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![BU of 6w12 by Molmil](/molmil-images/mine/6w12) | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to the Tumor-Associated Tn Antigen | Descriptor: | 2-acetamido-2-deoxy-alpha-D-galactopyranose, C-type lectin domain family 10 member A, CALCIUM ION, ... | Authors: | Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G. | Deposit date: | 2020-03-03 | Release date: | 2021-03-10 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen. Biochemistry, 60, 2021
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6PUV
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![BU of 6puv by Molmil](/molmil-images/mine/6puv) | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin | Descriptor: | C-type lectin domain family 10 member A, CALCIUM ION | Authors: | Birrane, G, Murphy, P.V, Gabba, A, Luz, J.G. | Deposit date: | 2019-07-18 | Release date: | 2020-07-22 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.2 Å) | Cite: | Crystal Structure of the Carbohydrate Recognition Domain of the Human Macrophage Galactose C-Type Lectin Bound to GalNAc and the Tumor-Associated Tn Antigen. Biochemistry, 60, 2021
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6G0V
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![BU of 6g0v by Molmil](/molmil-images/mine/6g0v) | Human Galectin-3 in complex with a TF tumor-associated antigen mimetic | Descriptor: | (3~{R},5~{R},6~{S},7~{S},8~{R},13~{S})-5-(hydroxymethyl)-7-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid, CHLORIDE ION, Galectin-3 | Authors: | Trovao, F.G, Santarsia, S, Carvalho, A.L. | Deposit date: | 2018-03-19 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Molecular Recognition of a Thomsen-Friedenreich Antigen Mimetic Targeting Human Galectin-3. ChemMedChem, 13, 2018
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6TNP
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![BU of 6tnp by Molmil](/molmil-images/mine/6tnp) | Crystal structure of the ScFv-5E5 in complex with a Tn glycopeptide | Descriptor: | (2~{S})-~{N}-[2-[[(2~{S})-1-[[(2~{S},3~{R})-3-[(2~{S},3~{R},4~{R},5~{R},6~{R})-3-acetamido-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxan-2-yl]oxy-1-[[(2~{S})-1-[(2~{S})-2-aminocarbonylpyrrolidin-1-yl]-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]amino]-3-oxidanyl-1-oxidanylidene-propan-2-yl]amino]-2-oxidanylidene-ethyl]-1-[(2~{S})-2-azanylpropanoyl]pyrrolidine-2-carboxamide, Heavy chain of our ScFv-5E5, Light chain of our ScFv-5E5 | Authors: | Macias-Leon, J, Corzana, F, Hurtado-Guerrero, R. | Deposit date: | 2019-12-09 | Release date: | 2020-11-18 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural characterization of an unprecedented lectin-like antitumoral anti-MUC1 antibody. Chem.Commun.(Camb.), 56, 2020
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7ORC
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![BU of 7orc by Molmil](/molmil-images/mine/7orc) | Human Aldehyde Oxidase in complex with Raloxifene | Descriptor: | Aldehyde oxidase, DIOXOTHIOMOLYBDENUM(VI) ION, FE2/S2 (INORGANIC) CLUSTER, ... | Authors: | Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. | Deposit date: | 2021-06-05 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
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7OPN
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![BU of 7opn by Molmil](/molmil-images/mine/7opn) | Human Aldehyde Oxidase SNP R1231H in complex with Raloxifene | Descriptor: | 1-(2-METHOXY-ETHOXY)-2-{2-[2-(2-METHOXY-ETHOXY]-ETHOXY}-ETHANE, Aldehyde oxidase, DIMETHYL SULFOXIDE, ... | Authors: | Mota, C, Coelho, C, Santos Silva, T, Romao, M.J. | Deposit date: | 2021-06-01 | Release date: | 2021-09-01 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.6 Å) | Cite: | Interrogating the Inhibition Mechanisms of Human Aldehyde Oxidase by X-ray Crystallography and NMR Spectroscopy: The Raloxifene Case. J.Med.Chem., 64, 2021
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8AXH
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![BU of 8axh by Molmil](/molmil-images/mine/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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7ZOZ
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![BU of 7zoz by Molmil](/molmil-images/mine/7zoz) | Crystal structure of Siglec-15 in complex with Fab | Descriptor: | Anti-Siglec 15 Fab HC, Anti-Siglec 15 Fab LC, Sialic acid-binding Ig-like lectin 15 | Authors: | Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-04-26 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.104 Å) | Cite: | Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b. Nat Commun, 14, 2023
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7ZOR
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![BU of 7zor by Molmil](/molmil-images/mine/7zor) | Crystal structure of anti-Siglec-15 Fab | Descriptor: | Anti-siglec15 FAB HC, Anti-siglec15 FAB LC | Authors: | Lenza, M.P, Oyenarte, I, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-04-26 | Release date: | 2023-06-28 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.933 Å) | Cite: | Structural insights into Siglec-15 reveal glycosylation dependency for its interaction with T cells through integrin CD11b. Nat Commun, 14, 2023
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7QUI
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![BU of 7qui by Molmil](/molmil-images/mine/7qui) | Crystal structure of the N-terminal domain of Siglec-8 in complex with sulfonamide sialoside analogue | Descriptor: | (2~{S},4~{S},5~{R},6~{R})-5-acetamido-2-[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{R})-5-acetamido-2-(hydroxymethyl)-4,6-bis(oxidanyl)oxan-3-yl]oxy-3,5-bis(oxidanyl)-6-(sulfooxymethyl)oxan-4-yl]oxy-6-[(1~{R},2~{R})-3-(naphthalen-2-ylsulfonylamino)-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Oyenarte, I, Atxabal, U, Nycholat, C, Franconetti, A, Quintana, J.I, Delgado, S, Unione, L, Paulson, J, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-18 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (3.352 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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7QU6
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![BU of 7qu6 by Molmil](/molmil-images/mine/7qu6) | Crystal structure of the N-terminal domain of Siglec-8 | Descriptor: | Sialic acid-binding Ig-like lectin 8 | Authors: | Lenza, M.P, Atxabal, U, Nycholat, C.M, Oyenarte, I, Paulson, J.C, Franconetti, A, Quintana, J.I, Unione, L, Delgado, S, Jimenez-Barbero, J, Ereno-Orbea, J. | Deposit date: | 2022-01-17 | Release date: | 2023-01-18 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.34 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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