6KXA
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![BU of 6kxa by Molmil](/molmil-images/mine/6kxa) | Galectin-3 CRD binds to GalA dimer | 分子名称: | Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid | 著者 | Su, J. | 登録日 | 2019-09-10 | 公開日 | 2020-08-26 | 最終更新日 | 2024-03-27 | 実験手法 | X-RAY DIFFRACTION (1.23 Å) | 主引用文献 | Topsy-turvy binding of negatively charged homogalacturonan oligosaccharides to galectin-3. Glycobiology, 31, 2021
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4R9D
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3ZSM
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![BU of 3zsm by Molmil](/molmil-images/mine/3zsm) | Crystal structure of Apo Human Galectin-3 CRD at 1.25 angstrom resolution, at room temperature | 分子名称: | GALECTIN-3 | 著者 | Saraboji, K, Hakansson, M, Diehl, C, Nilsson, U.J, Leffler, H, Akke, M, Logan, D.T. | 登録日 | 2011-06-28 | 公開日 | 2011-12-14 | 最終更新日 | 2023-12-20 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | The Carbohydrate-Binding Site in Galectin-3 is Pre-Organized to Recognize a Sugar-Like Framework of Oxygens: Ultra-High Resolution Structures and Water Dynamics. Biochemistry, 51, 2012
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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 | 分子名称: | 2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-alpha-D-glucopyranose, CHLORIDE ION, GLYCEROL, ... | 著者 | Trovao, F, Carvalho, A.L. | 登録日 | 2020-12-22 | 公開日 | 2021-04-21 | 最終更新日 | 2024-01-31 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | 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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6B8K
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6RHL
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![BU of 6rhl by Molmil](/molmil-images/mine/6rhl) | Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | 分子名称: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | 著者 | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-04-22 | 公開日 | 2019-08-21 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.299 Å) | 主引用文献 | Are crystallographic B-factors suitable for calculating protein conformational entropy? Phys Chem Chem Phys, 21, 2019
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8BZ3
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![BU of 8bz3 by Molmil](/molmil-images/mine/8bz3) | Structure od the carbohydrate reconition domain of Gal3 in comples with SAF-2-010 | 分子名称: | Galectin-3, [(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{R},3~{S},4~{R},5~{R},6~{S})-5-acetamido-2-(hydroxymethyl)-6-(4-nitrophenoxy)-4-oxidanyl-oxan-3-yl]oxy-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl] hydrogen sulfate | 著者 | Medrano, F.J, Romero, A. | 登録日 | 2022-12-14 | 公開日 | 2023-03-01 | 最終更新日 | 2024-06-19 | 実験手法 | X-RAY DIFFRACTION (1.31 Å) | 主引用文献 | Selectively Modified Lactose and N -Acetyllactosamine Analogs at Three Key Positions to Afford Effective Galectin-3 Ligands. Int J Mol Sci, 24, 2023
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7RGY
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6QGF
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![BU of 6qgf by Molmil](/molmil-images/mine/6qgf) | Galectin-3C in complex with a pair of enantiomeric ligands: R enantiomer | 分子名称: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | 著者 | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-01-11 | 公開日 | 2019-01-23 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.34 Å) | 主引用文献 | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding. J. Am. Chem. Soc., 141, 2019
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6RZM
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![BU of 6rzm by Molmil](/molmil-images/mine/6rzm) | Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:5(Iodine) | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-(3-iodanylphenyl)sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Kumar, R, Verteramo, M.L, Nilsson, U.J, Logan, D.T. | 登録日 | 2019-06-13 | 公開日 | 2020-07-08 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.345 Å) | 主引用文献 | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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2NN8
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![BU of 2nn8 by Molmil](/molmil-images/mine/2nn8) | Crystal structure of human galectin-3 carbohydrate-recognition domain with lactose bound, at 1.35 angstrom resolution | 分子名称: | CHLORIDE ION, GLYCEROL, Galectin-3, ... | 著者 | Blanchard, H, Collins, P.M. | 登録日 | 2006-10-24 | 公開日 | 2007-03-06 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.35 Å) | 主引用文献 | Slow diffusion of lactose out of galectin-3 crystals monitored by X-ray crystallography: possible implications for ligand-exchange protocols. Acta Crystallogr.,Sect.D, 63, 2007
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2NMO
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6TF7
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![BU of 6tf7 by Molmil](/molmil-images/mine/6tf7) | Human galectin-3c in complex with a galactose derivative | 分子名称: | 4-fluoranyl-~{N}-[[(2~{S},3~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]methyl]naphthalene-1-carboxamide, CHLORIDE ION, Galectin-3, ... | 著者 | Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T. | 登録日 | 2019-11-13 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | 3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3. Molecules, 24, 2019
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1KJL
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![BU of 1kjl by Molmil](/molmil-images/mine/1kjl) | High Resolution X-Ray Structure of Human Galectin-3 in complex with LacNAc | 分子名称: | BROMIDE ION, CHLORIDE ION, Galectin-3, ... | 著者 | Sorme, P, Arnoux, P, Kahl-Knutsson, B, Leffler, H, Rini, J.M, Nilsson, U.J. | 登録日 | 2001-12-04 | 公開日 | 2005-04-12 | 最終更新日 | 2023-08-16 | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | 主引用文献 | Structural and thermodynamic studies on cation-Pi interactions in lectin-ligand complexes: high-affinity galectin-3 inhibitors through fine-tuning of an arginine-arene interaction. J.Am.Chem.Soc., 127, 2005
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6F6Y
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7RH1
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7RGZ
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7RH0
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6EOL
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![BU of 6eol by Molmil](/molmil-images/mine/6eol) | Human galectin-3c in complex with a galactose derivative | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3,4-dichlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | 著者 | Hakansson, M, Nilsson, U.J, Zetterberg, F, Logan, D.T. | 登録日 | 2017-10-09 | 公開日 | 2018-08-22 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Monosaccharide Derivatives with Low-Nanomolar Lectin Affinity and High Selectivity Based on Combined Fluorine-Amide, Phenyl-Arginine, Sulfur-pi , and Halogen Bond Interactions. ChemMedChem, 13, 2018
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6TF6
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![BU of 6tf6 by Molmil](/molmil-images/mine/6tf6) | Human galectin-3c in complex with a galactose derivative | 分子名称: | CHLORIDE ION, Galectin-3, ~{N}-[[(2~{S},3~{S},4~{R},5~{S},6~{R})-4-[[5,6-bis(fluoranyl)-2-oxidanylidene-chromen-3-yl]methoxy]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]methyl]-4-fluoranyl-naphthalene-1-carboxamide | 著者 | Nilsson, U.J, Zetterberg, F, Hakansson, M, Logan, D.T. | 登録日 | 2019-11-13 | 公開日 | 2020-11-18 | 最終更新日 | 2024-01-24 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | 3-Substituted 1-Naphthamidomethyl-C-galactosyls Interact with Two Unique Sub-sites for High-Affinity and High-Selectivity Inhibition of Galectin-3. Molecules, 24, 2019
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4JC1
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5E89
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![BU of 5e89 by Molmil](/molmil-images/mine/5e89) | Crystal structure of Human galectin-3 CRD in complex with 3-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor | 分子名称: | 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | 著者 | Collins, P.M, Blanchard, H. | 登録日 | 2015-10-13 | 公開日 | 2016-08-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition. Chembiochem, 17, 2016
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5E8A
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![BU of 5e8a by Molmil](/molmil-images/mine/5e8a) | Crystal structure of Human galectin-3 CRD in complex with 4-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor | 分子名称: | 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3 | 著者 | Collins, P.M, Blanchard, H. | 登録日 | 2015-10-13 | 公開日 | 2016-08-24 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition. Chembiochem, 17, 2016
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6KXB
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![BU of 6kxb by Molmil](/molmil-images/mine/6kxb) | Galectin-3 CRD binds to GalA trimer | 分子名称: | Galectin-3, alpha-D-galactopyranuronic acid-(1-4)-alpha-D-galactopyranuronic acid-(1-4)-beta-D-galactopyranuronic acid | 著者 | Su, J. | 登録日 | 2019-09-10 | 公開日 | 2020-08-26 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | 主引用文献 | Topsy-turvy binding of negatively charged homogalacturonan oligosaccharides to galectin-3. Glycobiology, 31, 2021
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5EXO
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![BU of 5exo by Molmil](/molmil-images/mine/5exo) | Crystal structure of Human galectin-3 CRD in complex with methyl 2-O-acetyl-3-O-(2H-chromene-3-yl-methyl)-a-D-galactopyranoside inhibitor | 分子名称: | CHLORIDE ION, Galectin-3, [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate | 著者 | Collins, P.M, Blanchard, H. | 登録日 | 2015-11-23 | 公開日 | 2016-10-05 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.502 Å) | 主引用文献 | A Selective Galactose-Coumarin-Derived Galectin-3 Inhibitor Demonstrates Involvement of Galectin-3-glycan Interactions in a Pulmonary Fibrosis Model. J.Med.Chem., 59, 2016
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