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7P1M
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BU of 7p1m by Molmil
Galectin-8 N-terminal carbohydrate recognition domain in complex with benzimidazole D-galactal ligand
Descriptor: 2-[[(2R,3R,4R)-2-(hydroxymethyl)-3-oxidanyl-3,4-dihydro-2H-pyran-4-yl]oxymethyl]-3-methyl-benzimidazole-5-carboxylic acid, CHLORIDE ION, Galectin-8
Authors:Hassan, M, Hakansson, M, Nilsson, J.U, Kovacic, R.
Deposit date:2021-07-02
Release date:2021-12-15
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Structure-Guided Design of d-Galactal Derivatives with High Affinity and Selectivity for the Galectin-8 N-Terminal Domain.
Acs Med.Chem.Lett., 12, 2021
5NVA
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BU of 5nva by Molmil
Substrate-bound outward-open state of a Na+-coupled sialic acid symporter reveals a novel Na+-site
Descriptor: N-acetyl-beta-neuraminic acid, Putative sodium:solute symporter, SODIUM ION
Authors:Wahlgren, W.Y, North, R.A, Dunevall, E, Goyal, P, Grabe, M, Dobson, R, Abramson, J, Ramaswamy, S, Friemann, R.
Deposit date:2017-05-03
Release date:2018-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site.
Nat Commun, 9, 2018
5NV9
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BU of 5nv9 by Molmil
Substrate-bound outward-open state of a Na+-coupled sialic acid symporter reveals a novel Na+-site
Descriptor: DODECYL-BETA-D-MALTOSIDE, N-acetyl-beta-neuraminic acid, PHOSPHATE ION, ...
Authors:Wahlgren, W.Y, North, R.A, Dunevall, E, Paz, A, Goyal, P, Bisignano, P, Grabe, M, Dobson, R, Abramson, J, Ramaswamy, S, Friemann, R.
Deposit date:2017-05-03
Release date:2018-04-04
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Substrate-bound outward-open structure of a Na+-coupled sialic acid symporter reveals a new Na+site.
Nat Commun, 9, 2018
3M2M
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BU of 3m2m by Molmil
Rat galectin-1 complex with lactose
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Lobsanov, Y.D, Rini, J.M, Leffler, H.
Deposit date:2010-03-07
Release date:2010-07-21
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Monovalent interactions of galectin-1.
Biochemistry, 49, 2010
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
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
4YLZ
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BU of 4ylz by Molmil
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lacto-N-neotetraose (LNnT)
Descriptor: GLYCEROL, Galectin-4, SULFATE ION, ...
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2015-03-06
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens.
Febs J., 282, 2015
4YM3
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BU of 4ym3 by Molmil
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lactose
Descriptor: Galectin-4, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2015-03-06
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens.
Febs J., 282, 2015
4YM0
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BU of 4ym0 by Molmil
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lacto-N-tetraose (LNT)
Descriptor: GLYCEROL, Galectin-4, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2015-03-06
Release date:2015-07-01
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens.
Febs J., 282, 2015
4YM1
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BU of 4ym1 by Molmil
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with 2'-fucosyllactose
Descriptor: Galectin-4, SULFATE ION, alpha-L-fucopyranose-(1-2)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2015-03-06
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens.
Febs J., 282, 2015
4YM2
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BU of 4ym2 by Molmil
Crystal structure of the human galectin-4 C-terminal carbohydrate recognition domain in complex with lactose-3'-sulfate
Descriptor: 3-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Galectin-4, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2015-03-06
Release date:2015-07-01
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural characterization of human galectin-4 C-terminal domain: elucidating the molecular basis for recognition of glycosphingolipids, sulfated saccharides and blood group antigens.
Febs J., 282, 2015
2WV8
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BU of 2wv8 by Molmil
Complex of human dihydroorotate dehydrogenase with the inhibitor 221290
Descriptor: 2-ACETAMIDO-5-(4-PHENYLPHENYL)BENZOIC ACID, ACETATE ION, DECYLAMINE-N,N-DIMETHYL-N-OXIDE, ...
Authors:Walse, B, Svensson, B, Fritzson, I, Dahlberg, L, Wellmar, U, Al-Karadaghi, S.
Deposit date:2009-10-15
Release date:2010-08-25
Last modified:2018-01-17
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Inhibition of Human Dhodh by 4-Hydroxycoumarins, Fenamic Acids, and N-(Alkylcarbonyl)Anthranilic Acids Identified by Structure-Guided Fragment Selection.
Chemmedchem, 5, 2010
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
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
7RGX
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BU of 7rgx by Molmil
Crystal structure of human galectin-3 CRD in complex with Methyl 2-O-(2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-b-D-talopyranoside
Descriptor: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside
Authors:Bum-Erdene, K, Kishor, C, Blanchard, H.
Deposit date:2021-07-15
Release date:2022-07-13
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.58 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
5DUV
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BU of 5duv by Molmil
Crystal structure of the human galectin-4 N-terminal carbohydrate recognition domain in complex with lactose
Descriptor: ACETATE ION, CALCIUM ION, Galectin-4, ...
Authors:Bum-Erdene, K, Blanchard, H.
Deposit date:2015-09-21
Release date:2016-02-17
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural characterisation of human galectin-4 N-terminal carbohydrate recognition domain in complex with glycerol, lactose, 3'-sulfo-lactose, and 2'-fucosyllactose.
Sci Rep, 6, 2016
5E89
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BU of 5e89 by Molmil
Crystal structure of Human galectin-3 CRD in complex with 3-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor
Descriptor: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3
Authors:Collins, P.M, Blanchard, H.
Deposit date:2015-10-13
Release date:2016-08-24
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition.
Chembiochem, 17, 2016

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