3WLN
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![BU of 3wln by Molmil](/molmil-images/mine/3wln) | Crystal structure of barley beta-D-glucan glucohydrolase isoenzyme EXO1 in complex with octyl-S-glucoside | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-beta-D-mannopyranose-(1-6)-beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-D-glucan exohydrolase isoenzyme ExoI, beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | Authors: | Streltsov, V.A, Hrmova, M. | Deposit date: | 2013-11-12 | Release date: | 2015-03-25 | Last modified: | 2023-11-08 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of processive catalysis by an exo-hydrolase with a pocket-shaped active site. Nat Commun, 10, 2019
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3WLM
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6EOY
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![BU of 6eoy by Molmil](/molmil-images/mine/6eoy) | Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline | Descriptor: | 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin | Authors: | Leite, J.P, Gales, L. | Deposit date: | 2017-10-10 | Release date: | 2021-10-06 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.38 Å) | Cite: | Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease. Eur.J.Med.Chem., 226, 2021
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6FC9
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![BU of 6fc9 by Molmil](/molmil-images/mine/6fc9) | The 1,8-bis(aminomethyl)anthracene and Quadruplex-duplex junction complex | Descriptor: | DNA (27-MER), [8-(azaniumylmethyl)anthracen-1-yl]methylazanium | Authors: | Santana, A, Serrano, I, Montalvillo-Jimenez, L, Corzana, F, Bastida, A, Jimenez-Barbero, J, Gonzalez, C, Asensio, J.L. | Deposit date: | 2017-12-20 | Release date: | 2019-04-10 | Last modified: | 2024-06-19 | Method: | SOLUTION NMR | Cite: | De Novo Design of Selective Quadruplex-Duplex Junction Ligands and Structural Characterisation of Their Binding Mode: Targeting the G4 Hot-Spot. Chemistry, 2020
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3ZPE
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3ZPF
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5NBH
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5NC1
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5N83
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5N8D
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5NJH
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![BU of 5njh by Molmil](/molmil-images/mine/5njh) | Triazolopyrimidines stabilize microtubules by binding to the vinca inhibitor site of tubulin | Descriptor: | 5-chloranyl-7-[(1~{R},5~{S})-3-methoxy-8-azabicyclo[3.2.1]octan-8-yl]-6-[2,4,6-tris(fluoranyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ... | Authors: | Sharma, A, Calvo, G.S, Prota, A.E, Diaz, J.F, Steinmetz, M.O. | Deposit date: | 2017-03-28 | Release date: | 2017-06-21 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.394 Å) | Cite: | Triazolopyrimidines Are Microtubule-Stabilizing Agents that Bind the Vinca Inhibitor Site of Tubulin. Cell Chem Biol, 24, 2017
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6G0V
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![BU of 6g0v by Molmil](/molmil-images/mine/6g0v) | Human Galectin-3 in complex with a TF tumor-associated antigen mimetic | Descriptor: | (3~{R},5~{R},6~{S},7~{S},8~{R},13~{S})-5-(hydroxymethyl)-7-[(2~{S},3~{R},4~{S},5~{R},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-oxidanyl-11-oxidanylidene-2,4-dioxa-9-thia-12-azatricyclo[8.4.0.0^{3,8}]tetradec-1(10)-ene-13-carboxylic acid, CHLORIDE ION, Galectin-3 | Authors: | Trovao, F.G, Santarsia, S, Carvalho, A.L. | Deposit date: | 2018-03-19 | Release date: | 2018-08-22 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.09 Å) | Cite: | Molecular Recognition of a Thomsen-Friedenreich Antigen Mimetic Targeting Human Galectin-3. ChemMedChem, 13, 2018
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5NQ6
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![BU of 5nq6 by Molmil](/molmil-images/mine/5nq6) | Crystal structure of the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE from Escherichia coli at 2.40 Angstrom Resolution | Descriptor: | GLYCEROL, SULFATE ION, Sulfur acceptor protein CsdE | Authors: | Penya-Soler, E, Aranda, J, Lopez-Estepa, M, Gomez, S, Garces, F, Coll, M, Fernandez, F.J, Vega, M.C. | Deposit date: | 2017-04-19 | Release date: | 2018-03-28 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Insights into the inhibited form of the redox-sensitive SufE-like sulfur acceptor CsdE. PLoS ONE, 12, 2017
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