5EHB
 
 | | A de novo designed hexameric coiled-coil peptide with iodotyrosine | | Descriptor: | pHiosYI | | Authors: | Lizatovic, R, Aurelius, O, Stenstrom, O, Drakenberg, T, Akke, M, Logan, D.T, Andre, I. | | Deposit date: | 2015-10-28 | | Release date: | 2016-06-15 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (3.19 Å) | | Cite: | A De Novo Designed Coiled-Coil Peptide with a Reversible pH-Induced Oligomerization Switch.
Structure, 24, 2016
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6QGE
 | | Galectin-3C in complex with a pair of enantiomeric ligands: S enantiomer | | Descriptor: | (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 | | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-01-11 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.16 Å) | | Cite: | 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 | | Descriptor: | (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 | | Authors: | Manzoni, F, Verteramo, M.L, Oksanen, E, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2019-01-11 | | Release date: | 2019-01-23 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Interplay between Conformational Entropy and Solvation Entropy in Protein-Ligand Binding.
J. Am. Chem. Soc., 141, 2019
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6T86
 | | Urocanate reductase in complex with FAD | | Descriptor: | CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, ... | | Authors: | Venskutonyte, R, Lindkvist-Petersson, K. | | Deposit date: | 2019-10-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production.
Nat Commun, 12, 2021
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6T87
 | | Urocanate reductase in complex with urocanate | | Descriptor: | (2E)-3-(1H-IMIDAZOL-4-YL)ACRYLIC ACID, CHLORIDE ION, FLAVIN-ADENINE DINUCLEOTIDE, ... | | Authors: | Venskutonyte, R, Lindkvist-Petersson, K. | | Deposit date: | 2019-10-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production.
Nat Commun, 12, 2021
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6T88
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6T85
 | | Urocanate reductase in complex with ADP | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, GLYCEROL, ... | | Authors: | Venskutonyte, R, Lindkvist-Petersson, K. | | Deposit date: | 2019-10-24 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.1 Å) | | Cite: | Structural characterization of the microbial enzyme urocanate reductase mediating imidazole propionate production.
Nat Commun, 12, 2021
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5OAX
 | | Galectin-3c in complex with thiogalactoside derivate | | Descriptor: | 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 | | Authors: | Nilsson, U.J, Peterson, K, Hakansson, M, Logan, D.T. | | Deposit date: | 2017-06-25 | | Release date: | 2018-05-02 | | Last modified: | 2019-10-16 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | 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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5ODY
 | | Galectin-3C in complex with dithiogalactoside derivative | | Descriptor: | 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 | | Authors: | Kumar, R, Peterson, K, Nilsson, U.J, Logan, D.T. | | Deposit date: | 2017-07-07 | | Release date: | 2018-05-23 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.149 Å) | | Cite: | 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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