1UA2
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![BU of 1ua2 by Molmil](/molmil-images/mine/1ua2) | Crystal Structure of Human CDK7 | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, Cell division protein kinase 7 | Authors: | Lolli, G, Lowe, E.D, Brown, N.R, Johnson, L.N. | Deposit date: | 2004-08-11 | Release date: | 2004-12-07 | Last modified: | 2024-04-03 | Method: | X-RAY DIFFRACTION (3.02 Å) | Cite: | The Crystal Structure of Human CDK7 and Its Protein Recognition Properties Structure, 12, 2004
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4DGM
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![BU of 4dgm by Molmil](/molmil-images/mine/4dgm) | Crystal Structure of maize CK2 in complex with the inhibitor apigenin | Descriptor: | 1,2-ETHANEDIOL, 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-chromen-4-one, Casein kinase II subunit alpha, ... | Authors: | Lolli, G, Mazzorana, M, Battistutta, R. | Deposit date: | 2012-01-26 | Release date: | 2012-08-01 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight. Biochemistry, 51, 2012
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4DGN
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![BU of 4dgn by Molmil](/molmil-images/mine/4dgn) | Crystal Structure of maize CK2 in complex with the inhibitor luteolin | Descriptor: | 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one, Casein kinase II subunit alpha | Authors: | Lolli, G, Mazzorana, M, Battistutta, R. | Deposit date: | 2012-01-26 | Release date: | 2012-08-01 | Last modified: | 2013-01-02 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Inhibition of protein kinase CK2 by flavonoids and tyrphostins. A structural insight. Biochemistry, 51, 2012
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6QS5
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![BU of 6qs5 by Molmil](/molmil-images/mine/6qs5) | |
4MD8
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![BU of 4md8 by Molmil](/molmil-images/mine/4md8) | |
4MD7
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![BU of 4md7 by Molmil](/molmil-images/mine/4md7) | |
4MD9
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![BU of 4md9 by Molmil](/molmil-images/mine/4md9) | |
4DGL
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![BU of 4dgl by Molmil](/molmil-images/mine/4dgl) | Crystal Structure of the CK2 Tetrameric Holoenzyme | Descriptor: | Casein kinase II subunit alpha, Casein kinase II subunit beta, ZINC ION | Authors: | Lolli, G, Battistutta, R. | Deposit date: | 2012-01-26 | Release date: | 2012-05-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (3 Å) | Cite: | Structural determinants of protein kinase CK2 regulation by autoinhibitory polymerization. Acs Chem.Biol., 7, 2012
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4IOQ
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![BU of 4ioq by Molmil](/molmil-images/mine/4ioq) | |
4IOR
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![BU of 4ior by Molmil](/molmil-images/mine/4ior) | |
4IOO
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![BU of 4ioo by Molmil](/molmil-images/mine/4ioo) | Crystal Structure of the first bromodomain of BRD4 in complex with N-methyltrimethylacetamide | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | Authors: | Lolli, G, Battistutta, R. | Deposit date: | 2013-01-08 | Release date: | 2013-10-02 | Last modified: | 2024-02-28 | Method: | X-RAY DIFFRACTION (1.25 Å) | Cite: | Different orientations of low-molecular-weight fragments in the binding pocket of a BRD4 bromodomain. Acta Crystallogr.,Sect.D, 69, 2013
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5ORB
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![BU of 5orb by Molmil](/molmil-images/mine/5orb) | Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 30 | Descriptor: | 1,2-ETHANEDIOL, 2-(4-methoxyphenyl)sulfanyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)ethanamide, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A. | Deposit date: | 2017-08-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.103 Å) | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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5OR9
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![BU of 5or9 by Molmil](/molmil-images/mine/5or9) | Crystal Structure of BAZ2B bromodomain in complex with 1-methyl-cyclopentapyrazole compound 13 | Descriptor: | (2~{S})-1-(4-fluorophenyl)sulfonyl-~{N}-(2-methyl-5,6-dihydro-4~{H}-cyclopenta[c]pyrazol-3-yl)pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Vedove, A.D, Marchand, J.-R, Caflisch, A. | Deposit date: | 2017-08-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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5OR8
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![BU of 5or8 by Molmil](/molmil-images/mine/5or8) | Crystal Structure of BAZ2A bromodomain in complex with 1,3-dimethyl-benzimidazolone compound 1 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2A, ~{N}-[(4-fluorophenyl)methyl]-1,3,6-trimethyl-2-oxidanylidene-benzimidazole-5-sulfonamide | Authors: | Lolli, G, Dalle Vedove, A, Marchand, J.-R, Caflisch, A. | Deposit date: | 2017-08-15 | Release date: | 2017-09-13 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Inhibitors of Four Bromodomains by Fragment-Anchored Ligand Docking. J Chem Inf Model, 57, 2017
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5E9Y
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![BU of 5e9y by Molmil](/molmil-images/mine/5e9y) | Crystal Structure of BAZ2B bromodomain in complex with MPD | Descriptor: | (4S)-2-METHYL-2,4-PENTANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Caflisch, A. | Deposit date: | 2015-10-15 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016
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5DYU
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![BU of 5dyu by Molmil](/molmil-images/mine/5dyu) | Crystal Structure of BAZ2B bromodomain in complex with fragment F39 | Descriptor: | 1H-imidazol-5-ylmethanol, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Caflisch, A. | Deposit date: | 2015-09-25 | Release date: | 2016-03-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | High-Throughput Fragment Docking into the BAZ2B Bromodomain: Efficient in Silico Screening for X-Ray Crystallography. Acs Chem.Biol., 11, 2016
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5E73
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![BU of 5e73 by Molmil](/molmil-images/mine/5e73) | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide | Authors: | Lolli, G, Spiliotopoulos, D, Unzue, A, Nevado, C, Caflisch, A. | Deposit date: | 2015-10-11 | Release date: | 2015-10-28 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.71 Å) | Cite: | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains. J. Med. Chem., 59, 2016
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5E74
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![BU of 5e74 by Molmil](/molmil-images/mine/5e74) | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide | Authors: | Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A. | Deposit date: | 2015-10-11 | Release date: | 2015-10-21 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains. J. Med. Chem., 59, 2016
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5L97
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5L96
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![BU of 5l96 by Molmil](/molmil-images/mine/5l96) | Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 1 | Descriptor: | 1,2-ETHANEDIOL, 2-methyl-~{N}-[(2~{R})-1-methylsulfonylpropan-2-yl]pyridin-3-amine, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Lolli, G, Marchand, J.-R, Caflisch, A. | Deposit date: | 2016-06-09 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.15 Å) | Cite: | Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016
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5L8U
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![BU of 5l8u by Molmil](/molmil-images/mine/5l8u) | Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 5 | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, TRIETHYLENE GLYCOL, ~{N}-[(1~{S})-1-(3,4-dihydro-2~{H}-1,5-benzodioxepin-7-yl)ethyl]-2-methyl-pyridin-3-amine | Authors: | Lolli, G, Marchand, J.-R, Caflisch, A. | Deposit date: | 2016-06-08 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.85 Å) | Cite: | Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016
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5L99
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5L8T
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5L98
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![BU of 5l98 by Molmil](/molmil-images/mine/5l98) | Crystal Structure of BAZ2B bromodomain in complex with 3-amino-2-methylpyridine derivative 4 | Descriptor: | 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B, ~{N}-[(1~{S})-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-2-methyl-pyridin-3-amine | Authors: | Lolli, G, Marchand, J.-R, Caflisch, A. | Deposit date: | 2016-06-09 | Release date: | 2016-10-26 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.263 Å) | Cite: | Derivatives of 3-Amino-2-methylpyridine as BAZ2B Bromodomain Ligands: In Silico Discovery and in Crystallo Validation. J. Med. Chem., 59, 2016
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5EZB
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![BU of 5ezb by Molmil](/molmil-images/mine/5ezb) | Chicken prestin STAS domain | Descriptor: | Chicken prestin STAS domain,Chicken prestin STAS domain, GLYCEROL, OXALATE ION, ... | Authors: | Lolli, G, Pasqualetto, E, Costanzi, E, Bonetto, G, Battistutta, R. | Deposit date: | 2015-11-26 | Release date: | 2015-12-16 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | The STAS domain of mammalian SLC26A5 prestin harbours an anion-binding site. Biochem.J., 473, 2016
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