7PCU
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![BU of 7pcu by Molmil](/molmil-images/mine/7pcu) | Crystal structure of YTHDF1 YTH domain in complex with ebselen | Descriptor: | N-phenyl-2-selanylbenzamide, YTH domain-containing family protein 1 | Authors: | Dalle Vedove, A, Cazzanelli, G, Quattrone, A, Provenzani, A, Lolli, G. | Deposit date: | 2021-08-04 | Release date: | 2022-12-07 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.65 Å) | Cite: | Small-Molecule Ebselen Binds to YTHDF Proteins Interfering with the Recognition of N 6 -Methyladenosine-Modified RNAs. Acs Pharmacol Transl Sci, 5, 2022
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7B7G
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![BU of 7b7g by Molmil](/molmil-images/mine/7b7g) | BAZ2A bromodomain in complex with compounds MS04 and B11 | Descriptor: | 1-[1-(3,5-dimethoxyphenyl)piperidin-4-yl]-2,3-dimethyl-guanidine, 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | Deposit date: | 2020-12-10 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.428 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7B82
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![BU of 7b82 by Molmil](/molmil-images/mine/7b82) | BAZ2A bromodomain in complex with triazole compound MS04-TN03 | Descriptor: | (2~{S})-1-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]phenyl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]pyrrolidine-2-carboxamide, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | Deposit date: | 2020-12-12 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7B7I
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![BU of 7b7i by Molmil](/molmil-images/mine/7b7i) | BAZ2A bromodomain in complex with triazole compound MS04-TN02 | Descriptor: | 2-[4-[[(~{E})-~{N},~{N}'-dimethylcarbamimidoyl]amino]piperidin-1-yl]-~{N}-[[2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazol-5-yl]methyl]ethanamide, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | Deposit date: | 2020-12-10 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.15 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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7B7B
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![BU of 7b7b by Molmil](/molmil-images/mine/7b7b) | BAZ2A bromodomain in complex with triazole compound MS04 | Descriptor: | 5-ethyl-2-(3-methyl-1,2,3-triazol-4-yl)-1~{H}-benzimidazole, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | Deposit date: | 2020-12-10 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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4OY9
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![BU of 4oy9 by Molmil](/molmil-images/mine/4oy9) | Crystal structure of human P-Cadherin EC1-EC2 in closed conformation | Descriptor: | CALCIUM ION, Cadherin-3 | Authors: | Dalle Vedove, A, Lucarelli, A.P, Nardone, V, Matino, A, Parisini, E. | Deposit date: | 2014-02-11 | Release date: | 2015-04-01 | Last modified: | 2023-12-27 | Method: | X-RAY DIFFRACTION (1.62 Å) | Cite: | The X-ray structure of human P-cadherin EC1-EC2 in a closed conformation provides insight into the type I cadherin dimerization pathway. Acta Crystallogr.,Sect.F, 71, 2015
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8C6N
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8C6M
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8C6L
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![BU of 8c6l by Molmil](/molmil-images/mine/8c6l) | Human protein kinase CK2 alpha in complex with CK2-TN01 | Descriptor: | 1,2-ETHANEDIOL, 5-azanyl-3-[(~{Z})-1-cyano-2-(3-methoxy-4-oxidanyl-phenyl)ethenyl]-3~{H}-pyrazole-4-carbonitrile, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Cazzanelli, G, Lolli, G. | Deposit date: | 2023-01-12 | Release date: | 2024-04-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Switching off CK2-mediated activation of survivin offers new therapeutic opportunities in neuroblastoma to be published
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6HOV
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7YYF
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![BU of 7yyf by Molmil](/molmil-images/mine/7yyf) | |
7YYJ
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![BU of 7yyj by Molmil](/molmil-images/mine/7yyj) | |
7YZ8
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![BU of 7yz8 by Molmil](/molmil-images/mine/7yz8) | |
7YYE
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![BU of 7yye by Molmil](/molmil-images/mine/7yye) | |
7BC2
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![BU of 7bc2 by Molmil](/molmil-images/mine/7bc2) | BAZ2A bromodomain in complex with triazole compound MS04-TN04 | Descriptor: | 2-(1-methyl-1H-1,2,3-triazol-5-yl)-5-((2-(pyridin-4-yl)pyrrolidin-1-yl)methyl)-1H-benzo[d]imidazole, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Sedykh, M, Caflisch, A, Lolli, G. | Deposit date: | 2020-12-18 | Release date: | 2021-10-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing. Acs Med.Chem.Lett., 13, 2022
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6RFF
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![BU of 6rff by Molmil](/molmil-images/mine/6rff) | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 7 | Descriptor: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-nitro-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-14 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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6RFE
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![BU of 6rfe by Molmil](/molmil-images/mine/6rfe) | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 4 | Descriptor: | (~{E})-~{N}-(5-bromanyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-13 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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6RCB
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6RCM
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![BU of 6rcm by Molmil](/molmil-images/mine/6rcm) | Human protein kinase CK2 alpha in complex with 2-cyano-2-propenamide compound 3 | Descriptor: | (~{E})-~{N}-(5-~{tert}-butyl-1,3,4-thiadiazol-2-yl)-2-cyano-3-(3-methoxy-4-oxidanyl-phenyl)prop-2-enamide, 1,2-ETHANEDIOL, Casein kinase II subunit alpha, ... | Authors: | Dalle Vedove, A, Zanforlin, E, Ribaudo, G, Zagotto, G, Battistutta, R, Lolli, G. | Deposit date: | 2019-04-11 | Release date: | 2020-04-08 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | A novel class of selective CK2 inhibitors targeting its open hinge conformation. Eur.J.Med.Chem., 195, 2020
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7BLD
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![BU of 7bld by Molmil](/molmil-images/mine/7bld) | BAZ2A bromodomain in complex with compound UZH23 | Descriptor: | 1-[3-(6-Methyl-2,3-dihydropyrazolo[5,1-b][1,3]oxazol-7-yl)indol-1-yl]ethanone, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2021-01-18 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Chemical probes in the BAZ2A bromodomain to be published
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7BLB
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7BLC
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![BU of 7blc by Molmil](/molmil-images/mine/7blc) | |
7BLA
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7BL9
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![BU of 7bl9 by Molmil](/molmil-images/mine/7bl9) | BAZ2A bromodomain in complex with GSK2801 chemical probe | Descriptor: | 1,2-ETHANEDIOL, 1-{1-[2-(methylsulfonyl)phenyl]-7-propoxyindolizin-3-yl}ethanone, Bromodomain adjacent to zinc finger domain protein 2A | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | Deposit date: | 2021-01-18 | Release date: | 2022-03-02 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Chemical probes in the BAZ2A bromodomain to be published
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7BL8
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![BU of 7bl8 by Molmil](/molmil-images/mine/7bl8) | |