5LPK
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5LPL
| Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c | Descriptor: | CREB-binding protein, ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | Authors: | Wohlwend, D, Huegle, M. | Deposit date: | 2016-08-13 | Release date: | 2017-08-16 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.65 Å) | Cite: | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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5LLB
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5LPM
| Crystal structure of the bromodomain of human Ep300 bound to the inhibitor XDM3d | Descriptor: | ACETATE ION, Histone acetyltransferase p300, ~{N}-[(1~{S},2~{S})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide | Authors: | Huegle, M, Wohlwend, D, Gerhardt, S. | Deposit date: | 2016-08-13 | Release date: | 2017-08-16 | Last modified: | 2017-10-11 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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5LL0
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5NRW
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5D3J
| First bromodomain of BRD4 bound to inhibitor XD33 | Descriptor: | 4-acetyl-N-[3-(diethylsulfamoyl)phenyl]-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: | 2017-09-06 | 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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5D3R
| First bromodomain of BRD4 bound to inhibitor XD42 | Descriptor: | 4-acetyl-N-[3-(azepan-1-ylsulfonyl)phenyl]-5-methyl-3-propyl-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: | 2017-09-06 | Method: | X-RAY DIFFRACTION (2.2 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
| 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: | 2017-09-06 | 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
| 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: | 2017-09-06 | 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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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: | 2017-09-06 | 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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5D25
| First bromodomain of BRD4 bound to inhibitor XD27 | Descriptor: | (R,R)-2,3-BUTANEDIOL, 4-acetyl-N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4, ... | Authors: | Wohlwend, D, Huegle, M, Gerhardt, S. | Deposit date: | 2015-08-05 | Release date: | 2016-01-20 | Last modified: | 2017-09-06 | 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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5D3N
| First bromodomain of BRD4 bound to inhibitor XD40 | Descriptor: | 4-acetyl-3-ethyl-5-methyl-N-[2-methyl-5-(methylsulfamoyl)phenyl]-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: | 2017-09-06 | Method: | X-RAY DIFFRACTION (2.15 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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5D3T
| First bromodomain of BRD4 bound to inhibitor XD47 | Descriptor: | 1,2-ETHANEDIOL, 4-acetyl-N-(3-carbamoylbenzyl)-3-ethyl-N,5-dimethyl-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: | 2017-09-06 | Method: | X-RAY DIFFRACTION (1.93 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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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: | 2017-09-06 | 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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5D24
| First bromodomain of BRD4 bound to inhibitor XD26 | Descriptor: | 1,2-ETHANEDIOL, 4-acetyl-N-[3-(2-amino-2-oxoethoxy)phenyl]-3-ethyl-5-methyl-1H-pyrrole-2-carboxamide, Bromodomain-containing protein 4 | Authors: | Wohlwend, D, Huegle, M, Gerhardt, S. | Deposit date: | 2015-08-05 | Release date: | 2016-01-20 | Last modified: | 2017-09-06 | Method: | X-RAY DIFFRACTION (1.65 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
| 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: | 2017-09-06 | 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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5NU3
| Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM-CBP | Descriptor: | (R,R)-2,3-BUTANEDIOL, CREB-binding protein, SULFATE ION, ... | Authors: | Huegle, M, Wohlwend, D. | Deposit date: | 2017-04-28 | Release date: | 2017-08-16 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Beyond the BET Family: Targeting CBP/p300 with 4-Acyl Pyrroles. Angew. Chem. Int. Ed. Engl., 56, 2017
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5NU5
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6G9P
| Structural basis for the inhibition of E. coli PBP2 | Descriptor: | Peptidoglycan D,D-transpeptidase MrdA | Authors: | Ruff, M, Levy, N. | Deposit date: | 2018-04-11 | Release date: | 2019-05-22 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (2.101 Å) | Cite: | Structural Basis for E. coli Penicillin Binding Protein (PBP) 2 Inhibition, a Platform for Drug Design. J.Med.Chem., 62, 2019
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3U99
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