4EN5
 
 | | Crystal structure of fluoride riboswitch, Tl-Acetate soaked | | 分子名称: | FLUORIDE ION, Fluoride riboswitch, MAGNESIUM ION, ... | | 著者 | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | 登録日 | 2012-04-12 | | 公開日 | 2012-05-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.957 Å) | | 主引用文献 | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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4ENA
 | | Crystal structure of fluoride riboswitch, soaked in Cs+ | | 分子名称: | CESIUM ION, FLUORIDE ION, Fluoride riboswitch, ... | | 著者 | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | 登録日 | 2012-04-12 | | 公開日 | 2012-05-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | | 主引用文献 | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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4ENB
 | | Crystal structure of fluoride riboswitch, bound to Iridium | | 分子名称: | FLUORIDE ION, Fluoride riboswitch, IRIDIUM HEXAMMINE ION, ... | | 著者 | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | 登録日 | 2012-04-12 | | 公開日 | 2012-05-09 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.302 Å) | | 主引用文献 | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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4QLM
 | | ydao riboswitch binding to c-di-AMP | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, RNA (108-MER), ... | | 著者 | Ren, A.M, Patel, D.J. | | 登録日 | 2014-06-12 | | 公開日 | 2014-08-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.721 Å) | | 主引用文献 | c-di-AMP binds the ydaO riboswitch in two pseudo-symmetry-related pockets.
Nat.Chem.Biol., 10, 2014
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4ENC
 | | Crystal structure of fluoride riboswitch | | 分子名称: | FLUORIDE ION, Fluoride riboswitch, MAGNESIUM ION, ... | | 著者 | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | 登録日 | 2012-04-12 | | 公開日 | 2012-05-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.272 Å) | | 主引用文献 | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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4QLN
 | | structure of ydao riboswitch binding with c-di-dAMP | | 分子名称: | (2R,3R,3aS,5R,7aR,9R,10R,10aS,12R,14aR)-2,9-bis(6-amino-9H-purin-9-yl)octahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8 ]tetraoxadiphosphacyclododecine-3,5,10,12-tetrol 5,12-dioxide, MAGNESIUM ION, RNA (117-MER) | | 著者 | Ren, A.M, Patel, D.J. | | 登録日 | 2014-06-12 | | 公開日 | 2014-08-13 | | 最終更新日 | 2024-02-28 | | 実験手法 | X-RAY DIFFRACTION (2.65 Å) | | 主引用文献 | c-di-AMP binds the ydaO riboswitch in two pseudo-symmetry-related pockets.
Nat.Chem.Biol., 10, 2014
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3VRS
 | | Crystal structure of fluoride riboswitch, soaked in Mn2+ | | 分子名称: | FLUORIDE ION, Fluoride riboswitch, MANGANESE (II) ION, ... | | 著者 | Ren, A.M, Rajashankar, K.R, Patel, D.J. | | 登録日 | 2012-04-13 | | 公開日 | 2012-05-09 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.603 Å) | | 主引用文献 | Fluoride ion encapsulation by Mg2+ ions and phosphates in a fluoride riboswitch.
Nature, 486, 2012
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8GXC
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8GXB
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7D7X
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7D7W
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7D82
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7D81
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7D7Y
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7D7V
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7D7Z
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7XFA
 | | Structure of human Galectin-3 CRD in complex with monosaccharide 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-[2-[5-chloranyl-2-(trifluoromethyl)phenyl]-5-methyl-1,2,4-triazol-3-yl]-6-(hydroxymethyl)oxane-3,5-diol, Galectin-3 | | 著者 | Shukla, J, Raman, S, Ghosh, K. | | 登録日 | 2022-04-01 | | 公開日 | 2022-10-12 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (0.98 Å) | | 主引用文献 | Identification of Monosaccharide Derivatives as Potent, Selective, and Orally Bioavailable Inhibitors of Human and Mouse Galectin-3.
J.Med.Chem., 65, 2022
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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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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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7CXC
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4NLD
 | | Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with BMS-791325 also known as (1aR,12bS)-8-cyclohexyl-n-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide and 2-(4-fluorophenyl)-n-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide | | 分子名称: | (1aR,12bS)-8-cyclohexyl-N-(dimethylsulfamoyl)-11-methoxy-1a-{[(1R,5S)-3-methyl-3,8-diazabicyclo[3.2.1]oct-8-yl]carbonyl}-1,1a,2,12b-tetrahydrocyclopropa[d]indolo[2,1-a][2]benzazepine-5-carboxamide, 2-(4-fluorophenyl)-N-methyl-6-[(methylsulfonyl)amino]-5-(propan-2-yloxy)-1-benzofuran-3-carboxamide, RNA-directed RNA polymerase, ... | | 著者 | Sheriff, S. | | 登録日 | 2013-11-14 | | 公開日 | 2014-03-19 | | 最終更新日 | 2024-04-03 | | 実験手法 | X-RAY DIFFRACTION (2.75 Å) | | 主引用文献 | Discovery and Preclinical Characterization of the Cyclopropylindolobenzazepine BMS-791325, A Potent Allosteric Inhibitor of the Hepatitis C Virus NS5B Polymerase.
J.Med.Chem., 57, 2014
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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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7ELR
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