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PDB: 67 件
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
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-[2-nitro-4-(trifluoromethyl)benzoyl]-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.487 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(3-nitrobenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.444 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-15
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.337 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
7RH3
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Co-crystallization of human galectin-3 CRD complex with Methyl 2-O-(2-nitro-4-chloro)-benzoyl-3-O-toluoyl-b-D-talopyranoside
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-chloro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.485 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-(4-methylbenzoyl)-2-O-(2-nitrobenzoyl)-beta-D-talopyranoside
著者Bum-Erdene, K, Kishor, C, Blanchard, H.
登録日2021-07-15
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-(4-fluoro-2-nitrobenzoyl)-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Collins, P.M, Kishor, C, Blanchard, H.
登録日2021-07-16
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.201 Å)
主引用文献Novel Selective Galectin-3 Antagonists Are Cytotoxic to Acute Lymphoblastic Leukemia.
J.Med.Chem., 65, 2022
5EXO
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BU of 5exo by Molmil
Crystal structure of Human galectin-3 CRD in complex with methyl 2-O-acetyl-3-O-(2H-chromene-3-yl-methyl)-a-D-galactopyranoside inhibitor
分子名称: CHLORIDE ION, Galectin-3, [(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-2-methoxy-5-oxidanyl-4-[(2-oxidanylidenechromen-3-yl)methoxy]oxan-3-yl] ethanoate
著者Collins, P.M, Blanchard, H.
登録日2015-11-23
公開日2016-10-05
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.502 Å)
主引用文献A Selective Galactose-Coumarin-Derived Galectin-3 Inhibitor Demonstrates Involvement of Galectin-3-glycan Interactions in a Pulmonary Fibrosis Model.
J.Med.Chem., 59, 2016
1AJ5
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CALPAIN DOMAIN VI APO
分子名称: CALPAIN
著者Cygler, M, Grochulski, P, Blanchard, H.
登録日1997-05-15
公開日1998-05-20
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of a calpain Ca(2+)-binding domain reveals a novel EF-hand and Ca(2+)-induced conformational changes.
Nat.Struct.Biol., 4, 1997
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
分子名称: (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
著者Kishor, C, Blanchard, H.
登録日2019-08-02
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98601174 Å)
主引用文献Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
6Q17
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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
分子名称: CHLORIDE ION, Galectin-3, methyl 3-O-[(1-beta-D-galactopyranosyl-1H-1,2,3-triazol-4-yl)methyl]-beta-D-galactopyranoside
著者Kishor, C, Blanchard, H.
登録日2019-08-02
公開日2020-04-29
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Linear triazole-linked pseudo oligogalactosides as scaffolds for galectin inhibitor development.
Chem.Biol.Drug Des., 96, 2020
5T7U
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BU of 5t7u by Molmil
Crystal structure of galectin-8N in complex with Glycerol
分子名称: CHLORIDE ION, GLYCEROL, Galectin-8, ...
著者Bohari, M.H, Yu, X, Blanchard, H.
登録日2016-09-05
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
5T7S
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BU of 5t7s by Molmil
Crystal structure of galectin-8N in complex with Lactose
分子名称: GLYCEROL, Galectin-8, beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
著者Bohari, M.H, Yu, X, Blanchard, H.
登録日2016-09-05
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
5T7I
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BU of 5t7i by Molmil
Crystal structure of galectin-8N in complex with LNnT
分子名称: Galectin-8, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Bohari, M.H, Yu, X, Blanchard, H.
登録日2016-09-05
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
5T7T
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Galectin-8 N terminal domain in complex with LNT
分子名称: CHLORIDE ION, Galectin-8, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Bohari, M.H, Yu, X, Blanchard, H.
登録日2016-09-05
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Structure-based rationale for differential recognition of lacto- and neolacto- series glycosphingolipids by the N-terminal domain of human galectin-8.
Sci Rep, 6, 2016
5VWG
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BU of 5vwg by Molmil
Galectin-8 N terminal domain in complex with Methyl 3-O-[1-carboxyethyl]-beta-D-galactopyranoside
分子名称: Galectin-8, methyl 3-O-[(1R)-1-carboxyethyl]-beta-D-galactopyranoside
著者Bohari, M.H, Yu, X, Blanchard, H.
登録日2017-05-21
公開日2018-05-23
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Galectin-8 N terminal domain in complex with Methyl 3-O-[1-carboxyethyl]-beta-D-galactopyranoside
To Be Published
7RDO
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BU of 7rdo by Molmil
Crystal structure of human galectin-3 CRD in complex with diselenodigalactoside
分子名称: (2R,3R,4S,5R,6S)-2-(hydroxymethyl)-6-{[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]diselanyl}oxane-3,4,5-triol (non-preferred name), CHLORIDE ION, Galectin-3, ...
著者Kishor, C, Go, R.M, Blanchard, H.
登録日2021-07-10
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Investigation of the Molecular Details of the Interactions of Selenoglycosides and Human Galectin-3.
Int J Mol Sci, 23, 2022
7RDP
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BU of 7rdp by Molmil
Crystal structure of human galectin-3 CRD in complex with selenodigalactoside
分子名称: CHLORIDE ION, Galectin-3, beta-D-galactopyranosyl 1-seleno-beta-D-galactopyranoside
著者Kishor, C, Go, R.M, Blanchard, H.
登録日2021-07-10
公開日2022-07-13
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.96 Å)
主引用文献Investigation of the Molecular Details of the Interactions of Selenoglycosides and Human Galectin-3.
Int J Mol Sci, 23, 2022
6B94
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BU of 6b94 by Molmil
Crystal structure of Human galectin-1 in complex with Lactulose
分子名称: ACETATE ION, BETA-MERCAPTOETHANOL, Galectin-1, ...
著者Kishor, C, Blanchard, H.
登録日2017-10-09
公開日2018-10-10
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Lactulose as a novel template for anticancer drug development targeting galectins.
Chem.Biol.Drug Des., 92, 2018
6B8K
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BU of 6b8k by Molmil
Crystal structure of Human galectin-3 CRD in complex with Lactulose
分子名称: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-fructofuranose
著者Kishor, C, Blanchard, H.
登録日2017-10-09
公開日2018-10-10
最終更新日2022-07-20
実験手法X-RAY DIFFRACTION (1.28 Å)
主引用文献Lactulose as a novel template for anticancer drug development targeting galectins.
Chem.Biol.Drug Des., 92, 2018
5E89
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Crystal structure of Human galectin-3 CRD in complex with 3-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor
分子名称: 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
著者Collins, P.M, Blanchard, H.
登録日2015-10-13
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition.
Chembiochem, 17, 2016
5E8A
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BU of 5e8a by Molmil
Crystal structure of Human galectin-3 CRD in complex with 4-fluophenyl-1,2,3-triazolyl thiodigalactoside inhibitor
分子名称: 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, CHLORIDE ION, Galectin-3
著者Collins, P.M, Blanchard, H.
登録日2015-10-13
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition.
Chembiochem, 17, 2016
5E88
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Crystal structure of Human galectin-3 CRD in complex with thienyl-1,2,3-triazolyl thiodigalactoside inhibitor
分子名称: 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, CHLORIDE ION, Galectin-3
著者Collins, P.M, Blanchard, H.
登録日2015-10-13
公開日2016-08-24
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Galectin-3-Binding Glycomimetics that Strongly Reduce Bleomycin-Induced Lung Fibrosis and Modulate Intracellular Glycan Recognition.
Chembiochem, 17, 2016
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
分子名称: 3-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose, Galectin-4, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Bum-Erdene, K, Blanchard, H.
登録日2015-03-06
公開日2015-07-01
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献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
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
分子名称: ACETATE ION, CALCIUM ION, Galectin-4, ...
著者Bum-Erdene, K, Blanchard, H.
登録日2015-09-21
公開日2016-02-17
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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

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