PDB: 2199 resultsInfo pagesStatus searchChemie searchBIRD

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5RKE	PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z906021418 Descriptor: 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, PH-interacting protein Authors: Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. Deposit date: 2020-06-02 Release date: 2020-06-17 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.291 Å) Cite: PanDDA analysis group deposition of ground-state model To Be Published
4PCE	Crystal Structure of the first bromodomain of human BRD4 in complex with compound B13 Descriptor: 1,2-ETHANEDIOL, 1-benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one, Bromodomain-containing protein 4 Authors: Dong, J, Caflisch, A. Deposit date: 2014-04-15 Release date: 2014-05-07 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.293 Å) Cite: Discovery of BRD4 bromodomain inhibitors by fragment-based high-throughput docking. Bioorg.Med.Chem.Lett., 24, 2014
6TPZ	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one Descriptor: 1,2-ETHANEDIOL, 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one, Bromodomain-containing protein 4 Authors: Chung, C. Deposit date: 2019-12-15 Release date: 2020-01-15 Last modified: 2024-05-01 Method: X-RAY DIFFRACTION (1.299 Å) Cite: Discovery of a Bromodomain and Extraterminal Inhibitor with a Low Predicted Human Dose through Synergistic Use of Encoded Library Technology and Fragment Screening. J.Med.Chem., 63, 2020
7NQ0	C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH oxabicyclo(hexan-6-yl)-N2-methyl-6-((S)-1-phenylethyl)pyridine-2,4-dicarboxamide Descriptor: 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Bromodomain-containing protein 2, ... Authors: Chung, C. Deposit date: 2021-02-28 Release date: 2021-07-21 Last modified: 2021-08-25 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Identification of a Series of N -Methylpyridine-2-carboxamides as Potent and Selective Inhibitors of the Second Bromodomain (BD2) of the Bromo and Extra Terminal Domain (BET) Proteins. J.Med.Chem., 64, 2021
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
6AXQ	CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate) Descriptor: CREB-binding protein, DIMETHYL SULFOXIDE, methyl 1H-indole-3-carboxylate Authors: Murray, J.M, Jayaram, H. Deposit date: 2017-09-07 Release date: 2018-02-21 Last modified: 2023-10-04 Method: X-RAY DIFFRACTION (1.3 Å) Cite: A Unique Approach to Design Potent and Selective Cyclic Adenosine Monophosphate Response Element Binding Protein, Binding Protein (CBP) Inhibitors. J. Med. Chem., 60, 2017
4LYI	Crystal Structure of apo-BRD4(1) Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, IODIDE ION, ... Authors: Wohlwend, D. Deposit date: 2013-07-31 Release date: 2014-01-15 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.3 Å) Cite: 4-Acyl pyrroles: mimicking acetylated lysines in histone code reading. Angew.Chem.Int.Ed.Engl., 52, 2013
8P9F	Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(2-aminophenyl)-4-[2-(2-azanyl-5-methyl-4-oxidanyl-phenyl)hydrazinyl]benzamide Authors: Balourdas, D.I, Bauer, N, Knapp, S, Joerger, A.C, Structural Genomics Consortium (SGC) Deposit date: 2023-06-06 Release date: 2023-07-05 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal structure of the first bromodomain of human BRD4 in complex with the dual BET/HDAC inhibitor NB161 to be published
7C2Z	Bromodomain-containing 4 BD1 in complex with 3',4',7,8-Tetrahydroxyflavone Descriptor: 2-[3,4-bis(oxidanyl)phenyl]-7,8-bis(oxidanyl)chromen-4-one, Bromodomain-containing protein 4, FORMIC ACID Authors: Li, J, Zhu, J. Deposit date: 2020-05-10 Release date: 2021-05-12 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Discovery of the natural product 3',4',7,8-tetrahydroxyflavone as a novel and potent selective BRD4 bromodomain 2 inhibitor. J Enzyme Inhib Med Chem, 36, 2021
6G0P	Crystal Structure of the first bromodomain of human BRD4 in complex with an acetylated E2F1 peptide (K117ac/K120ac) Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Transcription factor E2F1 Authors: Filippakopoulos, P, Picaud, S, Krojer, T, Sorrell, F, Pike, A.C.W, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C. Deposit date: 2018-03-19 Release date: 2018-11-28 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Interactome Rewiring Following Pharmacological Targeting of BET Bromodomains. Mol. Cell, 73, 2019
5ENG	Crystal structure of the bromodomain of human CREBBP in complex with UP39 Descriptor: CREB-binding protein, methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate Authors: Dong, J, Caflisch, A. Deposit date: 2015-11-09 Release date: 2016-11-23 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules. ACS Med Chem Lett, 9, 2018
6PRT	Crystal structure of BRD4 bromodomain 1 with N-methylpyrrolidin-2-one (NMP) derivative 10 (methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate) Descriptor: Bromodomain-containing protein 4, methyl [(3R)-1-methyl-5-oxopyrrolidin-3-yl]acetate Authors: Ilyichova, O.V, Scanlon, M.J. Deposit date: 2019-07-11 Release date: 2019-11-27 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Synthesis and elaboration of N-methylpyrrolidone as an acetamide fragment substitute in bromodomain inhibition. Bioorg.Med.Chem., 27, 2019
4UIY	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH N-(1,1-dioxo-1-thian-4-yl)- 5-methyl-4-oxo-7-3-(trifluoromethyl)phenyl-4H,5H-thieno-3,2-c- pyridine-2-carboximidamide Descriptor: 1,2-ETHANEDIOL, BROMODOMAIN-CONTAINING PROTEIN 4, N-[1,1-bis(oxidanylidene)thian-4-yl]-5-methyl-4-oxidanylidene-7-[3-(trifluoromethyl)phenyl]thieno[3,2-c]pyridine-2-carboximidamide Authors: Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. Deposit date: 2015-04-03 Release date: 2015-04-22 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
4UIT	BROMODOMAIN OF HUMAN BRD9 WITH 7-(3,4-dimethoxyphenyl)-2-(4- methanesulfonylpiperazine-1-carbonyl)-5-methyl-4H,5H-thieno-3,2-c- pyridin-4-one Descriptor: 7-(3,4-dimethoxyphenyl)-5-methyl-2-(4-methylsulfonylpiperazin-1-yl)carbonyl-thieno[3,2-c]pyridin-4-one, BROMODOMAIN-CONTAINING PROTEIN 9 Authors: Chung, C, Theodoulou, N.T, Bamborough, P, Humphreys, P.G. Deposit date: 2015-04-03 Release date: 2015-04-22 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.3 Å) Cite: The Discovery of I-Brd9, a Selective Cell Active Chemical Probe for Bromodomain Containing Protein 9 Inhibition. J.Med.Chem., 59, 2016
7UU0	Crystal structure of the BRD2-BD2 in complex with a ligand Descriptor: 1,2-ETHANEDIOL, Isoform 3 of Bromodomain-containing protein 2, methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate Authors: Kalra, P, Shi, K, Aihara, H, Pomerantz, W.C.K. Deposit date: 2022-04-28 Release date: 2023-05-03 Last modified: 2024-05-22 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal structure of the BRD2-BD2 in complex with a ligand To Be Published
5RKQ	PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1545196101 Descriptor: 2-fluoro-N-[(3-methyl-1H-pyrazol-4-yl)methyl]aniline, PH-interacting protein Authors: Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C. Deposit date: 2020-06-02 Release date: 2020-06-17 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.3 Å) Cite: PanDDA analysis group deposition of ground-state model To Be Published
4NUE	Crystal structure of the first bromodomain of human BRD4 in complex with MS267 inhibitor Descriptor: 1,2-ETHANEDIOL, 4-[(E)-(2-amino-4-hydroxy-3,5-dimethylphenyl)diazenyl]-N-(pyridin-2-yl)benzenesulfonamide, Bromodomain-containing protein 4 Authors: Plotnikov, A.N, Joshua, J, Zhou, M.-M. Deposit date: 2013-12-03 Release date: 2014-04-02 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Structure-Guided Design of Potent Diazobenzene Inhibitors for the BET Bromodomains J.Med.Chem., 56, 2013
5FFV	Crystal structure of the bromodomain of human BRPF1 in complex with H3K14ac histone peptide Descriptor: 1,2-ETHANEDIOL, Histone H3, Peregrin Authors: Tallant, C, Nunez-Alonso, G, Savitsky, P, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S. Deposit date: 2015-12-19 Release date: 2015-12-30 Last modified: 2024-01-10 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal structure of the bromodomain of human BRPF1 in complex with H3K14ac histone peptide To Be Published
5O97	Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106 Descriptor: (5~{Z})-4-azanyl-5-[(3-methoxy-4-oxidanyl-phenyl)methylidene]-1,3-thiazol-2-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 Authors: Zhu, J, Marchand, J.R, Caflisch, A. Deposit date: 2017-06-15 Release date: 2018-06-27 Last modified: 2024-01-17 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Crystal structure of human BRD4(1) bromodomain in complex with JRMBR4106 To Be Published
8PXA	N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH (S)-5-(1-((1-(1-isopropylpiperidine-4-carbonyl)piperidin-3-yl)methyl)-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one Descriptor: 1,3-dimethyl-5-[1-[[(3~{S})-1-(1-propan-2-ylpiperidin-4-yl)carbonylpiperidin-3-yl]methyl]benzimidazol-2-yl]pyridin-2-one, Bromodomain-containing protein 4 Authors: Chung, C. Deposit date: 2023-07-22 Release date: 2023-10-18 Last modified: 2023-12-27 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Structure-Guided Design of a Domain-Selective Bromodomain and Extra Terminal N-Terminal Bromodomain Chemical Probe. J.Med.Chem., 66, 2023
5S8I	XChem group deposition -- Crystal Structure of the second bromodomain of pleckstrin homology domain interacting protein (PHIP) in complex with N01186d (space group C2) Descriptor: N-methyl-2,3-dihydrothieno[3,4-b][1,4]dioxine-5-carboxamide, PH-interacting protein Authors: Krojer, T, Talon, R, Fairhead, M, Szykowska, A, Burgess-Brown, N.A, Brennan, P.E, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F. Deposit date: 2020-12-17 Release date: 2021-01-13 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (1.3 Å) Cite: XChem group deposition To Be Published
7LHY	Caenorhabditis elegans SWSN-4 (SMARCA4-BRG1) ATPase Bromodomain in complex with a modified histone H3, N6-epsilon-acetyl-L-lysine 14 (H3K14ac) polypeptide Descriptor: H3(7-20)K14ac, SWI/SNF nucleosome remodeling complex component Authors: Enriquez, P, Rose, R.B. Deposit date: 2021-01-26 Release date: 2021-09-08 Last modified: 2023-11-15 Method: X-RAY DIFFRACTION (1.3 Å) Cite: Binding specificity and function of the SWI/SNF subunit SMARCA4 bromodomain interaction with acetylated histone H3K14. J.Biol.Chem., 297, 2021
8BW3	PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative Descriptor: (2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein Authors: Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F. Deposit date: 2022-12-06 Release date: 2022-12-21 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.3 Å) Cite: PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative To Be Published
7EIG	BRD4-BD1 in complex with LT-730-903 Descriptor: 1-[5-(5-azanyl-1H-benzimidazol-2-yl)-2-methyl-4-phenyl-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 Authors: Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. Deposit date: 2021-03-31 Release date: 2022-04-06 Last modified: 2023-11-29 Method: X-RAY DIFFRACTION (1.3 Å) Cite: BRD4-BD1 in complex with LT-730-903 To Be Published
6DF4	TAF1-BD2 in complex with Cpd8 (6-(but-3-en-1-yl)-4-(3-(morpholine-4-carbonyl)phenyl)-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one) Descriptor: 6-(but-3-en-1-yl)-4-[3-(morpholine-4-carbonyl)phenyl]-1,6-dihydro-7H-pyrrolo[2,3-c]pyridin-7-one, Transcription initiation factor TFIID subunit Authors: Murray, J.M, Tang, Y. Deposit date: 2018-05-14 Release date: 2018-10-31 Last modified: 2023-10-11 Method: X-RAY DIFFRACTION (1.3 Å) Cite: GNE-371, a Potent and Selective Chemical Probe for the Second Bromodomains of Human Transcription-Initiation-Factor TFIID Subunit 1 and Transcription-Initiation-Factor TFIID Subunit 1-like. J. Med. Chem., 61, 2018

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