6QGE
| 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 | 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 (1.16 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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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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6RZL
| Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:4(Bromine) | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-bromophenyl)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 | 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 (1.045 Å) | 主引用文献 | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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6RZI
| Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:1(Hydrogen) | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-phenylsulfanyl-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, Galectin-3, THIOCYANATE ION | 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 (1.095 Å) | 主引用文献 | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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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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6RZJ
| Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:2(Fluorine) | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-fluorophenyl)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 | 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 (1.097 Å) | 主引用文献 | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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6RZK
| Galectin-3C in complex with trifluoroaryltriazole monothiogalactoside derivative:3(Chlorine) | 分子名称: | (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(3-chlorophenyl)sulfanyl-6-(hydroxymethyl)-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-3,5-diol, CHLORIDE ION, Galectin-3 | 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 (1.046 Å) | 主引用文献 | Thermodynamic studies of halogen-bond interactions in galectin-3 to be published
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3CG6
| Crystal structure of Gadd45 gamma | 分子名称: | Growth arrest and DNA-damage-inducible 45 gamma | 著者 | Schrag, J.D, Jiralerspong, S, Banville, M, Jaramillo, M.L, O'Connor-McCourt, M.D. | 登録日 | 2008-03-05 | 公開日 | 2008-04-29 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | The crystal structure and dimerization interface of GADD45gamma. Proc.Natl.Acad.Sci.Usa, 105, 2008
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1SSA
| A STRUCTURAL INVESTIGATION OF CATALYTICALLY MODIFIED F12OL AND F12OY SEMISYNTHETIC RIBONUCLEASES | 分子名称: | RIBONUCLEASE A, SULFATE ION | 著者 | deMel, V.S.J, Doscher, M.S, Glinn, M.A, Martin, P.D, Ram, M.L, Edwards, B.F.P. | 登録日 | 1993-08-03 | 公開日 | 1994-09-30 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural investigation of catalytically modified F120L and F120Y semisynthetic ribonucleases. Protein Sci., 3, 1994
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1SSB
| A STRUCTURAL INVESTIGATION OF CATALYTICALLY MODIFIED F12OL AND F12OY SEMISYNTHETIC RIBONUCLEASES | 分子名称: | RIBONUCLEASE A, SULFATE ION | 著者 | Demel, V.S.J, Doscher, M.S, Glinn, M.A, Martin, P.D, Ram, M.L, Edwards, B.F.P. | 登録日 | 1993-08-03 | 公開日 | 1994-09-30 | 最終更新日 | 2019-08-14 | 実験手法 | X-RAY DIFFRACTION (2 Å) | 主引用文献 | Structural investigation of catalytically modified F120L and F120Y semisynthetic ribonucleases. Protein Sci., 3, 1994
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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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3O8A
| Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with novel Inhibitor Genz667348 | 分子名称: | Dihydroorotate dehydrogenase homolog, mitochondrial, FLAVIN MONONUCLEOTIDE, ... | 著者 | Deng, X, Booker, M.L, Phillips, M.A. | 登録日 | 2010-08-02 | 公開日 | 2010-08-18 | 最終更新日 | 2024-02-21 | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | 主引用文献 | Novel inhibitors of Plasmodium falciparum dihydroorotate dehydrogenase with anti-malarial activity in the mouse model. J.Biol.Chem., 285, 2010
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