5D3S
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![BU of 5d3s by Molmil](/molmil-images/mine/5d3s) | First bromodomain of BRD4 bound to inhibitor XD44 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-acetyl-3-ethyl-N-[4-fluoro-3-(morpholin-4-ylsulfonyl)phenyl]-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D26
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![BU of 5d26 by Molmil](/molmil-images/mine/5d26) | First bromodomain of BRD4 bound to inhibitor XD28 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ... | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-05 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3H
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![BU of 5d3h by Molmil](/molmil-images/mine/5d3h) | First bromodomain of BRD4 bound to inhibitor XD29 | Descriptor: | Bromodomain-containing protein 4, N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3-ethyl-4-(hydroxyacetyl)-5-methyl-1H-pyrrole-2-carboxamide | Authors: | Wohlwend, D, Huegle, M, Weitzel, G. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3L
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![BU of 5d3l by Molmil](/molmil-images/mine/5d3l) | First bromodomain of BRD4 bound to inhibitor XD35 | Descriptor: | 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxy-4-methylphenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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5D3P
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![BU of 5d3p by Molmil](/molmil-images/mine/5d3p) | First bromodomain of BRD4 bound to inhibitor XD41 | Descriptor: | 1-[(4-acetyl-3-ethyl-5-methyl-1H-pyrrol-2-yl)carbonyl]-N-methyl-1H-indole-6-sulfonamide, Bromodomain-containing protein 4, NICKEL (II) ION | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2015-08-06 | Release date: | 2016-01-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | 4-Acyl Pyrrole Derivatives Yield Novel Vectors for Designing Inhibitors of the Acetyl-Lysine Recognition Site of BRD4(1). J.Med.Chem., 59, 2016
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4IWV
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![BU of 4iwv by Molmil](/molmil-images/mine/4iwv) | Crystals structure of Human Glucokinase in complex with small molecule activator | Descriptor: | (2S)-2-{[1-(2-chlorophenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]oxy}-N-(5-chloropyridin-2-yl)-3-(2-hydroxyethoxy)propanamide, Glucokinase isoform 3, SODIUM ION, ... | Authors: | Ogg, D.J, Hargreaves, D, Gerhardt, S, Flavell, L, McAlister, M. | Deposit date: | 2013-01-24 | Release date: | 2013-04-24 | Last modified: | 2023-09-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Optimising pharmacokinetics of glucokinase activators with matched triplicate design sets the discovery of AZD3651 and AZD9485 To be Published
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4AAN
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![BU of 4aan by Molmil](/molmil-images/mine/4aan) | MacA wild-type fully reduced | Descriptor: | (R,R)-2,3-BUTANEDIOL, CALCIUM ION, CYTOCHROME C551 PEROXIDASE, ... | Authors: | Seidel, J. | Deposit date: | 2011-12-05 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.22 Å) | Cite: | Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens. Biochemistry, 51, 2012
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4AAL
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![BU of 4aal by Molmil](/molmil-images/mine/4aal) | MacA wild-type oxidized | Descriptor: | ACETATE ION, CALCIUM ION, CYTOCHROME C551 PEROXIDASE, ... | Authors: | Seidel, J. | Deposit date: | 2011-12-05 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.84 Å) | Cite: | Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens. Biochemistry, 51, 2012
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4AAO
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![BU of 4aao by Molmil](/molmil-images/mine/4aao) | MacA-H93G | Descriptor: | CALCIUM ION, CYTOCHROME C551 PEROXIDASE, HEME C, ... | Authors: | Seidel, J. | Deposit date: | 2011-12-05 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens. Biochemistry, 51, 2012
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4AAM
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![BU of 4aam by Molmil](/molmil-images/mine/4aam) | MacA wild-type mixed-valence | Descriptor: | CALCIUM ION, CYTOCHROME C551 PEROXIDASE, HEME C, ... | Authors: | Seidel, J. | Deposit date: | 2011-12-05 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.17 Å) | Cite: | Maca is a Second Cytochrome C Peroxidase of Geobacter Sulfurreducens. Biochemistry, 51, 2012
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2VV9
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![BU of 2vv9 by Molmil](/molmil-images/mine/2vv9) | CDK2 in complex with an imidazole piperazine | Descriptor: | 2-{4-[4-({4-[2-methyl-1-(1-methylethyl)-1H-imidazol-5-yl]pyrimidin-2-yl}amino)phenyl]piperazin-1-yl}-2-oxoethanol, CELL DIVISION PROTEIN KINASE 2 | Authors: | Acton, D.G, Anderson, M, Andrews, D.M, Barker, A.J, Brassington, C.A, Finlay, M.R, Fisher, E, Gerhardt, S, Graham, M.A, Green, C.P, Heaton, D.W, Loddick, S.A, Morgentin, R, Read, J, Roberts, A, Stanway, J, Tucker, J.A, Weir, H.M. | Deposit date: | 2008-06-04 | Release date: | 2008-08-05 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Imidazole Piperazines: Sar and Development of a Potent Class of Cyclin-Dependent Kinase Inhibitors with a Novel Binding Mode. Bioorg.Med.Chem.Lett., 18, 2008
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