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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5DUX
| Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with 2'-fucosyllactose | 分子名称: | FORMIC ACID, GLYCEROL, Galectin-4, ... | 著者 | Bum-Erdene, K, Blanchard, H. | 登録日 | 2015-09-21 | 公開日 | 2016-02-17 | 最終更新日 | 2023-09-27 | 実験手法 | X-RAY DIFFRACTION (1.85 Å) | 主引用文献 | Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose. Sci Rep, 6, 2016
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5NVA
| Substrate-bound outward-open state of a Na+-coupled sialic acid symporter reveals a novel Na+-site | 分子名称: | N-acetyl-beta-neuraminic acid, Putative sodium:solute symporter, SODIUM ION | 著者 | Wahlgren, W.Y, North, R.A, Dunevall, E, Goyal, P, Grabe, M, Dobson, R, Abramson, J, Ramaswamy, S, Friemann, R. | 登録日 | 2017-05-03 | 公開日 | 2018-04-04 | 最終更新日 | 2024-05-08 | 実験手法 | X-RAY DIFFRACTION (2.26 Å) | 主引用文献 | Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site. Nat Commun, 9, 2018
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5NV9
| Substrate-bound outward-open state of a Na+-coupled sialic acid symporter reveals a novel Na+-site | 分子名称: | DODECYL-BETA-D-MALTOSIDE, N-acetyl-beta-neuraminic acid, PHOSPHATE ION, ... | 著者 | Wahlgren, W.Y, North, R.A, Dunevall, E, Paz, A, Goyal, P, Bisignano, P, Grabe, M, Dobson, R, Abramson, J, Ramaswamy, S, Friemann, R. | 登録日 | 2017-05-03 | 公開日 | 2018-04-04 | 最終更新日 | 2020-07-29 | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | 主引用文献 | Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site. Nat Commun, 9, 2018
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5E88
| Crystal structure of Human galectin-3 CRD in complex with thienyl-1,2,3-triazolyl thiodigalactoside inhibitor | 分子名称: | 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-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 (1.6 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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5DUW
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5DUU
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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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8OJO
| Galectin-3 in complex with 2,6-Anhydro-5-S-(beta-D-galactopyranosyl)-5-thio-D-altritol | 分子名称: | 1-deoxy-alpha-D-mannopyranose, 1-thio-beta-D-galactopyranose, Galectin-3, ... | 著者 | Tsagkarakou, A.S, Leonidas, D.D. | 登録日 | 2023-03-24 | 公開日 | 2023-09-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
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8OJK
| Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonamide | 分子名称: | (2~{R},4~{R},5~{R},6~{R})-6-(hydroxymethyl)-4,5-bis(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | 著者 | Tsagkarakou, A.S, Leonidas, D.D. | 登録日 | 2023-03-24 | 公開日 | 2023-09-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
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8OJI
| Galectin-3 in complex with Methyl 2,6-anhydro-3-deoxy-3-S-(b-D-galactopyranosyl)-3-thio-D-glycero-L-altro-heptonate | 分子名称: | 1-thio-beta-D-galactopyranose, CHLORIDE ION, Galectin-3, ... | 著者 | Tsagkarakou, A.S, Leonidas, D.D. | 登録日 | 2023-03-24 | 公開日 | 2023-09-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
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8OJM
| Galectin-3 in complex with 2,6-anhydro-3-deoxy-3-S-(beta-D-galactopyranosyl)-3-thio-D-glycero-D-galacto-heptonamide | 分子名称: | (2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxane-2-carboxamide, 1-thio-beta-D-galactopyranose, Galectin-3, ... | 著者 | Tsagkarakou, A.S, Leonidas, D.D. | 登録日 | 2023-03-24 | 公開日 | 2023-09-13 | 最終更新日 | 2023-09-20 | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | 主引用文献 | Strong Binding of C -Glycosylic1,2-Thiodisaccharides to Galectin-3─Enthalpy-Driven Affinity Enhancement by Water-Mediated Hydrogen Bonds. J.Med.Chem., 66, 2023
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8PPN
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8PBF
| Galectin-3C in complex with a triazolesulfane derivative | 分子名称: | (2~{R},3~{S},4~{S},5~{R},6~{S})-2-(hydroxymethyl)-6-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,5-bis(oxidanyl)-4-(4-phenylsulfanyl-1,2,3-triazol-1-yl)oxan-2-yl]sulfanyl-oxane-3,4,5-triol, Galectin-3, THIOCYANATE ION | 著者 | Kumar, R, Mahanti, M. | 登録日 | 2023-06-09 | 公開日 | 2023-11-08 | 最終更新日 | 2023-11-22 | 実験手法 | X-RAY DIFFRACTION (1.14 Å) | 主引用文献 | Ligand Sulfur Oxidation State Progressively Alters Galectin-3-Ligand Complex Conformations To Induce Affinity-Influencing Hydrogen Bonds. J.Med.Chem., 66, 2023
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6EXY
| Neutron crystal structure of perdeuterated galectin-3C in complex with glycerol | 分子名称: | GLYCEROL, Galectin-3 | 著者 | Manzoni, F, Schrader, T.E, Ostermann, A, Oksanen, E, Logan, D.T. | 登録日 | 2017-11-10 | 公開日 | 2018-09-12 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.1 Å), X-RAY DIFFRACTION | 主引用文献 | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
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6EYM
| Neutron crystal structure of perdeuterated galectin-3C in complex with lactose | 分子名称: | Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose | 著者 | Manzoni, F, Coates, L, Blakeley, M.P, Oksanen, E, Logan, D.T. | 登録日 | 2017-11-13 | 公開日 | 2018-09-12 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.7 Å), X-RAY DIFFRACTION | 主引用文献 | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
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6F2Q
| Neutron crystal structure of perdeuterated galectin-3C in the ligand-free form | 分子名称: | Galectin-3 | 著者 | Manzoni, F, Blakeley, M.P, Oksanen, E, Logan, D.T. | 登録日 | 2017-11-27 | 公開日 | 2018-05-02 | 最終更新日 | 2024-05-01 | 実験手法 | NEUTRON DIFFRACTION (1.03 Å), X-RAY DIFFRACTION | 主引用文献 | Elucidation of Hydrogen Bonding Patterns in Ligand-Free, Lactose- and Glycerol-Bound Galectin-3C by Neutron Crystallography to Guide Drug Design. J. Med. Chem., 61, 2018
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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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6RHM
| Room temperature data of Galectin-3C in complex with a pair of enantiomeric ligands: S 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~{S})-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 (1.596 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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