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5NF7
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BU of 5nf7 by Molmil
Structure of Galectin-3 CRD in complex with compound 1
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine
Authors:Ronin, C, Atmanene, C, Gautier, F.M, Pilard, F.D, Teletchea, S, Ciesielski, F, Hannah, V.V, Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
5NFC
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Structure of Galectin-3 CRD in complex with glycerol
Descriptor: GLYCEROL, Galectin-3
Authors:Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
5NFA
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BU of 5nfa by Molmil
Structure of Galectin-3 CRD in complex with compound 3
Descriptor: 3-O-[(3-methoxyphenyl)methyl]-beta-D-galactopyranose-(1-4)-N-acetyl-2-(acetylamino)-2-deoxy-beta-D-glucopyranosylamine, Galectin-3
Authors:Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
5NFB
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BU of 5nfb by Molmil
Structure of Galectin-3 CRD in complex with compound 4
Descriptor: Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-4-[(3-methoxyphenyl)methoxy]-3,5-bis(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
Authors:Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
5NF9
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BU of 5nf9 by Molmil
Structure of Galectin-3 CRD in complex with compound 2
Descriptor: Galectin-3, ~{N}-[(2~{R},3~{R},4~{R},5~{S},6~{R})-2-acetamido-6-(hydroxymethyl)-5-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4-oxidanyl-oxan-3-yl]-3-methoxy-benzamide
Authors:Ronin, C, Atmanene, C, Gautier, F.M, Djedaini Pilard, F, Teletchea, S, Ciesielski, F, Vivat Hannah, V, Grandjean, C.
Deposit date:2017-03-13
Release date:2017-06-21
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Biophysical and structural characterization of mono/di-arylated lactosamine derivatives interaction with human galectin-3.
Biochem. Biophys. Res. Commun., 489, 2017
6Q0Q
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BU of 6q0q by Molmil
Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-(1-{3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranosyl}-1,2,3-triazol-4-yl)-methyl-b-D-galactopyranoside
Descriptor: (2~{R},3~{R},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[4-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-methoxy-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]-3,5-bis(oxidanyl)oxan-4-yl]oxymethyl]-1,2,3-triazol-1-yl]oxane-3,4,5-triol, CHLORIDE ION, Galectin-3
Authors:Kishor, C, Blanchard, H.
Deposit date:2019-08-02
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98601174 Å)
Cite:Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
6Q17
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BU of 6q17 by Molmil
Crystal structure of Human galectin-3 CRD in complex with Methyl 3-O-[1-(b-D-galactopyranosyl)-1,2,3-triazol-4-yl]-methyl-b-D-galactopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
Authors:Kishor, C, Blanchard, H.
Deposit date:2019-08-02
Release date:2020-04-29
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
7A54
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BU of 7a54 by Molmil
Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA
Descriptor: 2-DEOXY-2,3-DEHYDRO-N-ACETYL-NEURAMINIC ACID, Sialidase A
Authors:Bridot, C, Bouckaert, J.
Deposit date:2020-08-20
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Polyvalent Transition-State Analogues of Sialyl Substrates Strongly Inhibit Bacterial Sialidases*.
Chemistry, 27, 2021
7A5X
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Two copies of the catalytic domain of NanA sialidase from Streptococcus pneumoniae juxtaposed in the P212121 space group, in complex with DANA derivatized with a PEG linker on the glycerol group.
Descriptor: (4~{S},5~{R},6~{R})-5-acetamido-6-[(1~{R},2~{S})-3-[[1-(2-ethoxyethyl)-1,2,3-triazol-4-yl]methylsulfanyl]-1,2-bis(oxidanyl)propyl]-4-oxidanyl-oxane-2-carboxylic acid, CALCIUM ION, CHLORIDE ION, ...
Authors:Bridot, C, Bouckaert, J.
Deposit date:2020-08-24
Release date:2020-11-18
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Polyvalent Transition-State Analogues of Sialyl Substrates Strongly Inhibit Bacterial Sialidases*.
Chemistry, 27, 2021

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