7EO5
 
 | | Crystal structure of pyrano 1,3, oxazine derivative in complex with the second bromodomain of BRD2 | | Descriptor: | 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, TRIETHYLENE GLYCOL | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S. | | Deposit date: | 2021-04-21 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
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7ENZ
 | | Crystal structure of Phenanthredinone moiety in complex with the second bromodomain of BRD2 (BRD2-BD2). | | Descriptor: | Bromodomain-containing protein 2, TRIETHYLENE GLYCOL, phenanthridin-6(5H)-one | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S. | | Deposit date: | 2021-04-21 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
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7ENV
 | | crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1). | | Descriptor: | 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione, Bromodomain-containing protein 2, SULFATE ION | | Authors: | Padmanabhan, B, Arole, A, Deshmukh, P, Ashok, S. | | Deposit date: | 2021-04-19 | | Release date: | 2022-03-09 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural investigation of a pyrano-1,3-oxazine derivative and the phenanthridinone core moiety against BRD2 bromodomains.
Acta Crystallogr.,Sect.F, 78, 2022
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7ENA
 | | TFIID-based PIC-Mediator holo-complex in pre-assembled state (pre-hPIC-MED) | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y. | | Deposit date: | 2021-04-16 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (4.07 Å) | | Cite: | Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
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7ENC
 | | TFIID-based PIC-Mediator holo-complex in fully-assembled state (hPIC-MED) | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Chen, X, Qi, Y, Wang, X, Wu, Z, Yin, X, Li, J, Liu, W, Xu, Y. | | Deposit date: | 2021-04-16 | | Release date: | 2021-05-26 | | Last modified: | 2021-06-16 | | Method: | ELECTRON MICROSCOPY (4.13 Å) | | Cite: | Structures of the human Mediator and Mediator-bound preinitiation complex.
Science, 372, 2021
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7MCF
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | | Descriptor: | 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-6-fluoro-5-[(S)-(3-fluoropyridin-2-yl)(oxan-4-yl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4 | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-02 | | Release date: | 2021-05-26 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Development of BET inhibitors as potential treatments for cancer: A search for structural diversity.
Bioorg.Med.Chem.Lett., 44, 2021
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7MCE
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol | | Descriptor: | 2-{(7P)-7-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-8-fluoro-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-3-yl}propan-2-ol, Bromodomain-containing protein 4 | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-02 | | Release date: | 2021-09-29 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Development of BET inhibitors as potential treatments for cancer: A new carboline chemotype.
Bioorg.Med.Chem.Lett., 51, 2021
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5S9R
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BMS-986158, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol | | Descriptor: | 1,2-ETHANEDIOL, 2-{3-(1,4-dimethyl-1H-1,2,3-triazol-5-yl)-5-[(S)-(oxan-4-yl)(phenyl)methyl]-5H-pyrido[3,2-b]indol-7-yl}propan-2-ol, Bromodomain-containing protein 4, ... | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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5S9P
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 9-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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5S9O
 | | CRYSTAL STRUCTURE OF THE HUMAN BRD2 BD1 BROMODOMAIN IN COMPLEX WITH 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 9-(cyclopropylmethyl)-7-[(2R,6S)-2,6-dimethylmorpholine-4-carbonyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)-9H-carbazole-1-carboxamide, Bromodomain-containing protein 2 | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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5S9Q
 | | CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide | | Descriptor: | 1,2-ETHANEDIOL, 2-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(2-hydroxypropan-2-yl)-9-[(S)-(oxan-4-yl)(phenyl)methyl]-9H-carbazole-4-carboxamide, Bromodomain-containing protein 4 | | Authors: | Sheriff, S. | | Deposit date: | 2021-04-01 | | Release date: | 2021-09-29 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Discovery and Preclinical Pharmacology of an Oral Bromodomain and Extra-Terminal (BET) Inhibitor Using Scaffold-Hopping and Structure-Guided Drug Design.
J.Med.Chem., 64, 2021
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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
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7EIK
 | | RD4-BD1 in complex with LT-872-297 | | Descriptor: | 1-[2-methyl-5-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-4-(1-methylpyrazol-4-yl)-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 (1.7 Å) | | Cite: | RD4-BD1 in complex with LT-872-297
To Be Published
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7EIL
 | | BRD4-BD1 in complex with LT-909-110 | | Descriptor: | Bromodomain-containing protein 4, N-[4-[4-ethanoyl-5-methyl-2-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]phenyl]ethanamide | | 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 (1.7 Å) | | Cite: | Discovery of 1-(5-(1H-benzo[d]imidazole-2-yl)-2,4-dimethyl-1H-pyrrol-3-yl)ethan-1-one derivatives as novel and potent bromodomain and extra-terminal (BET) inhibitors with anticancer efficacy
Eur.J.Med.Chem., 227, 2022
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7EHW
 | | BRD4-BD1 in complex with LT-642-602 | | Descriptor: | 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 | | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | | Deposit date: | 2021-03-30 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | BRD4-BD1 in complex with LT-642-602
To Be Published
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7EHY
 | | BRD4-BD1 in complex with LT-448-138 | | Descriptor: | 1-[2,4-dimethyl-5-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-pyrrol-3-yl]ethanone, Bromodomain-containing protein 4 | | Authors: | Zheng, W, Kong, B, Tang, W, Zhu, J, Chen, Y. | | Deposit date: | 2021-03-30 | | Release date: | 2022-03-30 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.51 Å) | | Cite: | BRD4-BD1 in complex with LT-642-602
To Be Published
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7M97
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7M98
 | | ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand | | Descriptor: | ATPase family AAA domain-containing protein 2, Histone H4 | | Authors: | Malone, K.L, Phillips, M, Nix, J.C, Glass, K.C. | | Deposit date: | 2021-03-30 | | Release date: | 2021-09-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Coordination of Di-Acetylated Histone Ligands by the ATAD2 Bromodomain.
Int J Mol Sci, 22, 2021
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7O18
 | | N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH I-BET282 | | Descriptor: | (R)-4-(8-methoxy-1-(1-methoxypropan-2-yl)-2-(tetrahydro-2H-pyran-4-yl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | | Authors: | Chung, C. | | Deposit date: | 2021-03-28 | | Release date: | 2021-10-13 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Discovery of a Novel Bromodomain and Extra Terminal Domain (BET) Protein Inhibitor, I-BET282E, Suitable for Clinical Progression.
J.Med.Chem., 64, 2021
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7EG7
 | | TFIID-based core PIC on SCP promoter | | Descriptor: | DNA (79-MER), DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Qi, Y, Hou, H, Wang, X, Wu, Z, Li, J, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-05 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (6.2 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
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7EGB
 | | TFIID-based holo PIC on SCP promoter | | Descriptor: | CDK-activating kinase assembly factor MAT1, Cyclin-H, Cyclin-dependent kinase 7, ... | | Authors: | Chen, X, Wu, Z, Hou, H, Qi, Y, Wang, X, Li, J, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-05 | | Last modified: | 2023-07-26 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
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7EGA
 | | TFIID-based intermediate PIC on PUMA promoter | | Descriptor: | DNA (85-MER), DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Wu, Z, Hou, H, Qi, Y, Wang, X, Li, J, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-05 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (4.1 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
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7EG9
 | | TFIID-based intermediate PIC on SCP promoter | | Descriptor: | DNA (79-MER), DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Qi, Y, Wang, X, Wu, Z, Li, J, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-05 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
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7EG8
 | | TFIID-based core PIC on PUMA promoter | | Descriptor: | DNA (85-MER), DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, ... | | Authors: | Chen, X, Qi, Y, Hou, H, Wang, X, Wu, Z, Li, J, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-05 | | Last modified: | 2021-05-19 | | Method: | ELECTRON MICROSCOPY (7.4 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
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7EGH
 | | TFIID lobe C subcomplex | | Descriptor: | DNA (45-MER), Transcription initiation factor TFIID subunit 1, Transcription initiation factor TFIID subunit 2, ... | | Authors: | Chen, X, Wu, Z, Li, J, Zhao, D, Xu, Y. | | Deposit date: | 2021-03-24 | | Release date: | 2021-05-12 | | Method: | ELECTRON MICROSCOPY (3.04 Å) | | Cite: | Structural insights into preinitiation complex assembly on core promoters.
Science, 372, 2021
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