7DF6
 
 | | Mouse Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | | 分子名称: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, Galectin-3 | | 著者 | Ghosh, K, Kumar, A. | | 登録日 | 2020-11-06 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
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7DF5
 | | Human Galectin-3 CRD in complex with novel tetrahydropyran-based thiodisaccharide mimic inhibitor | | 分子名称: | (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-5-methoxy-6-[(3R,4R,5S)-4-oxidanyl-5-(4-pyrimidin-5-yl-1,2,3-triazol-1-yl)oxan-3-yl]sulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol, CHLORIDE ION, Galectin-3, ... | | 著者 | Ghosh, K, Kumar, A. | | 登録日 | 2020-11-06 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.08 Å) | | 主引用文献 | Synthesis, Structure-Activity Relationships, and In Vivo Evaluation of Novel Tetrahydropyran-Based Thiodisaccharide Mimics as Galectin-3 Inhibitors.
J.Med.Chem., 64, 2021
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8Z1S
 | | Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | | 分子名称: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[4-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, CHLORIDE ION, Galectin-3 | | 著者 | Amit, K, Swetha, R, Ghosh, K. | | 登録日 | 2024-04-11 | | 公開日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Atropisomerism Observed in Galactose-Based Monosaccharide Inhibitors of Galectin-3 Comprising 2-Methyl-4-phenyl-2,4-dihydro-3 H -1,2,4-triazole-3-thione.
J.Med.Chem., 67, 2024
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8Z1T
 | | Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | | 分子名称: | (2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-chloranyl-3,5-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-2-[4-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, CHLORIDE ION, Galectin-3 | | 著者 | Amit, K, Swetha, R, Ghosh, K. | | 登録日 | 2024-04-12 | | 公開日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (2 Å) | | 主引用文献 | Atropisomerism Observed in Galactose-Based Monosaccharide Inhibitors of Galectin-3 Comprising 2-Methyl-4-phenyl-2,4-dihydro-3 H -1,2,4-triazole-3-thione.
J.Med.Chem., 67, 2024
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8Z25
 | | Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | | 分子名称: | 5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione, Galectin-3, MAGNESIUM ION | | 著者 | Amit, K, Swetha, R, Ghosh, K. | | 登録日 | 2024-04-12 | | 公開日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (1.72 Å) | | 主引用文献 | Atropisomerism Observed in Galactose-Based Monosaccharide Inhibitors of Galectin-3 Comprising 2-Methyl-4-phenyl-2,4-dihydro-3 H -1,2,4-triazole-3-thione.
J.Med.Chem., 67, 2024
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8ZUV
 | | Crystal structure of mouse Galectin-3 in complex with small molecule inhibitor | | 分子名称: | 5-[(2~{S},3~{R},4~{R},5~{R},6~{R})-4-[4-[4-bromanyl-2,3-bis(fluoranyl)phenyl]-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]-4-[5-chloranyl-2-(trifluoromethyl)phenyl]-2-methyl-1,2,4-triazole-3-thione, CHLORIDE ION, Galectin-3 | | 著者 | Amit, K, Swetha, R, Ghosh, K. | | 登録日 | 2024-06-10 | | 公開日 | 2025-03-05 | | 実験手法 | X-RAY DIFFRACTION (1.45 Å) | | 主引用文献 | Atropisomerism Observed in Galactose-Based Monosaccharide Inhibitors of Galectin-3 Comprising 2-Methyl-4-phenyl-2,4-dihydro-3 H -1,2,4-triazole-3-thione.
J.Med.Chem., 67, 2024
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7CXC
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7CXB
 | | Structure of mouse Galectin-3 CRD in complex with TD-139 belonging to P6522 space group. | | 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 | Kumar, A. | | 登録日 | 2020-09-01 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.46 Å) | | 主引用文献 | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Glycobiology, 31, 2021
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7CXD
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7CXA
 | | Structure of human Galectin-3 CRD in complex with TD-139 belonging to P31 space group. | | 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 | Kumar, A. | | 登録日 | 2020-09-01 | | 公開日 | 2021-09-01 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (1.97 Å) | | 主引用文献 | Molecular mechanism of interspecies differences in the binding affinity of TD139 to Galectin-3.
Glycobiology, 31, 2021
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