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4LBN
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BU of 4lbn by Molmil
Crystal structure of Human galectin-3 CRD in complex with LNnT
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Collins, P.M, Blanchard, H.
Deposit date:2013-06-20
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
4LBO
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BU of 4lbo by Molmil
Crystal structure of Human galectin-3 CRD in complex with a-GM3
Descriptor: CHLORIDE ION, Galectin-3, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Collins, P.M, Blanchard, H.
Deposit date:2013-06-20
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
4LBM
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BU of 4lbm by Molmil
Crystal structure of Human galectin-3 CRD in complex with LNT
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Collins, P.M, Blanchard, H.
Deposit date:2013-06-20
Release date:2014-01-22
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
3T1L
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BU of 3t1l by Molmil
Crystal structure of human Galectin-3 in complex with methyl 2-O-acetyl-3-O-toluoyl-beta-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Blanchard, H, Collins, P.M.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Taloside inhibitors of galectin-1 and galectin-3
Chem.Biol.Drug Des., 79, 2012
3T2T
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BU of 3t2t by Molmil
Crystal structure of human galectin-1 in complex with methyl 2-O-acetyl-3-O-toluoyl-beta-D-talopyranoside
Descriptor: Galectin-1, methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Blanchard, H, Collins, P.M.
Deposit date:2011-07-23
Release date:2011-12-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Taloside inhibitors of galectin-1 and galectin-3
Chem.Biol.Drug Des., 79, 2012
3T1M
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BU of 3t1m by Molmil
Crystal structure of human galectin-3 carbohydrate recognition domain in complex with methyl 3-deoxy-2-O-toluoyl-3-N-toluoyl-beta-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-deoxy-2-O-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-D-talopyranoside
Authors:Blanchard, H, Collins, P.M.
Deposit date:2011-07-22
Release date:2011-12-28
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Taloside inhibitors of galectin-1 and galectin-3
Chem.Biol.Drug Des., 79, 2012
4JC1
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BU of 4jc1 by Molmil
Galectin-3 carbohydrate recognition domain in complex with thiodigalactoside
Descriptor: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
Authors:Collins, P.M, Blanchard, H.
Deposit date:2013-02-21
Release date:2013-07-31
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Investigation into the feasibility of thioditaloside as a novel scaffold for galectin-3-specific inhibitors.
Chembiochem, 14, 2013
7RH0
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BU of 7rh0 by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-trifluoromethyl-benzoyl)-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.487 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RGY
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BU of 7rgy by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-15
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.337 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RGZ
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BU of 7rgz by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.485 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH3
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BU of 7rh3 by Molmil
Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.05 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH1
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BU of 7rh1 by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(3-nitro-benzoyl)-3-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.444 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH4
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BU of 7rh4 by Molmil
Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-fluoro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
Authors:Collins, P.M, Kishor, C, Blanchard, H.
Deposit date:2021-07-16
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.201 Å)
Cite:Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
6EW3
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BU of 6ew3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F
Descriptor: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J.
Deposit date:2017-11-03
Release date:2018-10-03
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Structure activity relationship studies on rhodanines and derived enethiol inhibitors of metallo-beta-lactamases.
Bioorg. Med. Chem., 26, 2018
6F83
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BU of 6f83 by Molmil
Crystal Structure of Human Galectin-1 in Complex With Thienyl-1,2, 3-triazolyl Thiodigalactoside Inhibitor
Descriptor: 3-deoxy-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-1-thio-3-[4-(thiophen-3-yl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranoside, Galectin-1
Authors:Collins, P.M, Blanchard, H.
Deposit date:2017-12-12
Release date:2019-01-30
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Aromatic heterocycle galectin-1 interactions for selective single-digit nM affinity ligands
To be published
2NN8
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BU of 2nn8 by Molmil
Crystal structure of human galectin-3 carbohydrate-recognition domain with lactose bound, at 1.35 angstrom resolution
Descriptor: CHLORIDE ION, GLYCEROL, Galectin-3, ...
Authors:Blanchard, H, Collins, P.M.
Deposit date:2006-10-24
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Slow diffusion of lactose out of galectin-3 crystals monitored by X-ray crystallography: possible implications for ligand-exchange protocols.
Acta Crystallogr.,Sect.D, 63, 2007
2NMO
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BU of 2nmo by Molmil
Crystal structure of human galectin-3 carbohydrate-recognition domain at 1.35 angstrom resolution
Descriptor: CHLORIDE ION, GLYCEROL, Galectin-3, ...
Authors:Blanchard, H, Collins, P.M.
Deposit date:2006-10-23
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Slow diffusion of lactose out of galectin-3 crystals monitored by X-ray crystallography: possible implications for ligand-exchange protocols
Acta Crystallogr.,Sect.D, 63, 2007
2NMN
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BU of 2nmn by Molmil
Crystal structure of human galectin-3 carbohydrate-recognising domain at 2.45 angstrom resolution
Descriptor: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Blanchard, H, Collins, P.M.
Deposit date:2006-10-23
Release date:2007-03-06
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Slow diffusion of lactose out of galectin-3 crystals monitored by X-ray crystallography: possible implications for ligand-exchange protocols.
Acta Crystallogr.,Sect.D, 63, 2007
3OY8
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BU of 3oy8 by Molmil
Crystal structure of human galectin-1 in complex with lactobionic acid
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-D-gluconic acid
Authors:Blanchard, H, Collins, P.M.
Deposit date:2010-09-23
Release date:2010-11-03
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Galectin inhibitory disaccharides promote tumour immunity in a breast cancer model
CANCER LETT., 2010
3OYW
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BU of 3oyw by Molmil
Crystal structure of human galectin-1 in complex with thiodigalactoside
Descriptor: Galectin-1, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
Authors:Blanchard, H, Collins, P.M.
Deposit date:2010-09-23
Release date:2010-11-03
Last modified:2020-08-12
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Galectin inhibitory disaccharides promote tumour immunity in a breast cancer model
CANCER LETT., 2010
5ORO
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BU of 5oro by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
Deposit date:2017-08-16
Release date:2017-11-01
Last modified:2019-10-16
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORR
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BU of 5orr by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: 4-[4-(trifluoromethyl)phenyl]-1,2,3-thiadiazol-5-amine, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
Deposit date:2017-08-16
Release date:2017-11-01
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OS0
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BU of 5os0 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: 2-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]ethanenitrile, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
Deposit date:2017-08-16
Release date:2017-11-01
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORN
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BU of 5orn by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: 3-thiophen-2-yl-4,5-dihydro-1~{H}-pyridazin-6-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
Authors:McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
Deposit date:2017-08-16
Release date:2017-11-01
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORT
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BU of 5ort by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
Descriptor: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ...
Authors:McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
Deposit date:2017-08-16
Release date:2017-11-01
Last modified:2017-11-29
Method:X-RAY DIFFRACTION (2.56 Å)
Cite:Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017

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