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4LBO
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BU of 4lbo by Molmil
Crystal structure of Human galectin-3 CRD in complex with a-GM3
分子名称: CHLORIDE ION, Galectin-3, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Collins, P.M, Blanchard, H.
登録日2013-06-20
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
4LBN
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BU of 4lbn by Molmil
Crystal structure of Human galectin-3 CRD in complex with LNnT
分子名称: 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
著者Collins, P.M, Blanchard, H.
登録日2013-06-20
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献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
分子名称: 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
著者Collins, P.M, Blanchard, H.
登録日2013-06-20
公開日2014-01-22
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献Galectin-3 interactions with glycosphingolipids.
J.Mol.Biol., 426, 2014
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
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
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
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
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
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
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
分子名称: CHLORIDE ION, Galectin-3, methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Blanchard, H, Collins, P.M.
登録日2011-07-22
公開日2011-12-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献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
分子名称: Galectin-1, methyl 2-O-acetyl-3-O-(4-methylbenzoyl)-beta-D-talopyranoside
著者Blanchard, H, Collins, P.M.
登録日2011-07-23
公開日2011-12-28
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, methyl 3-deoxy-2-O-(4-methylbenzoyl)-3-[(4-methylbenzoyl)amino]-beta-D-talopyranoside
著者Blanchard, H, Collins, P.M.
登録日2011-07-22
公開日2011-12-28
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献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
分子名称: CHLORIDE ION, Galectin-3, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
著者Collins, P.M, Blanchard, H.
登録日2013-02-21
公開日2013-07-31
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Investigation into the feasibility of thioditaloside as a novel scaffold for galectin-3-specific inhibitors.
Chembiochem, 14, 2013
6EW3
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BU of 6ew3 by Molmil
Crystal structure of the metallo-beta-lactamase VIM-2 with ML302F
分子名称: (2Z)-2-sulfanyl-3-(2,3,6-trichlorophenyl)prop-2-enoic acid, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Collins, P.M, Brem, J, McDonough, M.A, van Berkel, S.S, von Delft, F, Schofield, C.J.
登録日2017-11-03
公開日2018-10-03
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.14 Å)
主引用文献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
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, Galectin-1
著者Collins, P.M, Blanchard, H.
登録日2017-12-12
公開日2019-01-30
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Aromatic heterocycle galectin-1 interactions for selective single-digit nM affinity ligands
To be published
2NMN
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BU of 2nmn by Molmil
Crystal structure of human galectin-3 carbohydrate-recognising domain at 2.45 angstrom resolution
分子名称: Galectin-3, beta-D-galactopyranose-(1-4)-beta-D-glucopyranose
著者Blanchard, H, Collins, P.M.
登録日2006-10-23
公開日2007-03-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献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
分子名称: CHLORIDE ION, GLYCEROL, Galectin-3, ...
著者Blanchard, H, Collins, P.M.
登録日2006-10-23
公開日2007-03-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献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
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
分子名称: CHLORIDE ION, GLYCEROL, Galectin-3, ...
著者Blanchard, H, Collins, P.M.
登録日2006-10-24
公開日2007-03-06
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献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
分子名称: Galectin-1, beta-D-galactopyranose-(1-4)-D-gluconic acid
著者Blanchard, H, Collins, P.M.
登録日2010-09-23
公開日2010-11-03
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献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
分子名称: Galectin-1, beta-D-galactopyranose-(1-1)-1-thio-beta-D-galactopyranose
著者Blanchard, H, Collins, P.M.
登録日2010-09-23
公開日2010-11-03
最終更新日2020-08-12
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Galectin inhibitory disaccharides promote tumour immunity in a breast cancer model
CANCER LETT., 2010
5OS4
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BU of 5os4 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: (3~{a}~{R},5~{S},7~{a}~{S})-5-phenyl-3~{a},4,5,6,7,7~{a}-hexahydroisoindole-1,3-dione, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORL
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BU of 5orl by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, CHLORIDE ION, ...
著者McIntyre, P.J, Collins, P.M, Vrzal, L, Birchall, K, Arnold, L.H, Mpamhanga, C, Coombs, P.J, Burgess, S.G, Richards, M.W, Winter, A, Veverka, V, von Delft, F, Merritt, A, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OS1
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BU of 5os1 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORS
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BU of 5ors by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, MAGNESIUM ION, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5ORW
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BU of 5orw by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 3-(4-fluoranylphenoxy)-1-thiomorpholin-4-yl-propan-1-one, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献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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