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5EHB
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BU of 5ehb by Molmil
A de novo designed hexameric coiled-coil peptide with iodotyrosine
分子名称: pHiosYI
著者Lizatovic, R, Aurelius, O, Stenstrom, O, Drakenberg, T, Akke, M, Logan, D.T, Andre, I.
登録日2015-10-28
公開日2016-06-15
最終更新日2018-01-17
実験手法X-RAY DIFFRACTION (3.19 Å)
主引用文献A De Novo Designed Coiled-Coil Peptide with a Reversible pH-Induced Oligomerization Switch.
Structure, 24, 2016
6QGE
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BU of 6qge by Molmil
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
6QGF
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BU of 6qgf by Molmil
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
6T86
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BU of 6t86 by Molmil
Urocanate reductase in complex with FAD
分子名称: CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ...
著者Venskutonyte, R, Lindkvist-Petersson, K.
登録日2019-10-24
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.56 Å)
主引用文献Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production.
Nat Commun, 12, 2021
6T87
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BU of 6t87 by Molmil
Urocanate reductase in complex with urocanate
分子名称: (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Venskutonyte, R, Lindkvist-Petersson, K.
登録日2019-10-24
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production.
Nat Commun, 12, 2021
6T88
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BU of 6t88 by Molmil
Urocanate reductase in complex with imidazole propionate
分子名称: 3-(1~{H}-imidazol-5-yl)propanoic acid, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ...
著者Venskutonyte, R, Lindkvist-Petersson, K.
登録日2019-10-24
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production.
Nat Commun, 12, 2021
6T85
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BU of 6t85 by Molmil
Urocanate reductase in complex with ADP
分子名称: ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ...
著者Venskutonyte, R, Lindkvist-Petersson, K.
登録日2019-10-24
公開日2021-03-03
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.1 Å)
主引用文献Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production.
Nat Commun, 12, 2021
5ODY
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BU of 5ody by Molmil
Galectin-3C in complex with dithiogalactoside derivative
分子名称: 5,6-bis(fluoranyl)-3-[[(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-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-2-yl]sulfanyl-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one, Galectin-3
著者Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T.
登録日2017-07-07
公開日2018-05-23
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.149 Å)
主引用文献Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
J. Med. Chem., 61, 2018
5OAX
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BU of 5oax by Molmil
Galectin-3c in complex with thiogalactoside derivate
分子名称: 5,6-bis(fluoranyl)-3-[[(2~{S},3~{R},4~{S},5~{S},6~{R})-2-[(2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-2-yl]sulfanyl-6-(hydroxymethyl)-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]chromen-2-one, Galectin-3
著者Nilsson, U.J, Peterson, K, Hakansson, M, Logan, D.T.
登録日2017-06-25
公開日2018-05-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Systematic Tuning of Fluoro-galectin-3 Interactions Provides Thiodigalactoside Derivatives with Single-Digit nM Affinity and High Selectivity.
J. Med. Chem., 61, 2018

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件を2024-07-24に公開中

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