8WIU
| Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[5-[1-(cyclopropylmethyl)-3,5-dimethyl-pyrazol-4-yl]pyridin-3-yl]-1~{H}-imidazo[4,5-b]pyridine, Isoform C of Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-09-25 | Release date: | 2024-01-03 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | Discovery of a brain-permeable bromodomain and extra terminal domain (BET) inhibitor with selectivity for BD1 for the treatment of multiple sclerosis. Eur.J.Med.Chem., 265, 2023
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1KO7
| X-ray structure of the HPr kinase/phosphatase from Staphylococcus xylosus at 1.95 A resolution | Descriptor: | Hpr kinase/phosphatase, PHOSPHATE ION | Authors: | Marquez, J.A, Hasenbein, S, Koch, B, Fieulaine, S, Nessler, S, Hengstenberg, W, Scheffzek, K. | Deposit date: | 2001-12-20 | Release date: | 2002-04-03 | Last modified: | 2023-08-16 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | Structure of the full-length HPr kinase/phosphatase from Staphylococcus xylosus at 1.95 A resolution: Mimicking the product/substrate of the phospho transfer reactions. Proc.Natl.Acad.Sci.USA, 99, 2002
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7NWI
| Mammalian pre-termination 80S ribosome with Empty-A site bound by Blasticidin S | Descriptor: | 18S ribosomal RNA, 28S ribosomal RNA+BlaS, 40S ribosomal protein S11, ... | Authors: | Powers, K.T, Yadav, S.K.N, Bufton, J.C, Schaffitzel, C. | Deposit date: | 2021-03-16 | Release date: | 2021-07-07 | Last modified: | 2023-01-11 | Method: | ELECTRON MICROSCOPY (3.13 Å) | Cite: | Blasticidin S inhibits mammalian translation and enhances production of protein encoded by nonsense mRNA. Nucleic Acids Res., 49, 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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8IBQ
| Bromodomain and Extra-terminal Domain (BET) BRD4 | Descriptor: | 7-[2-fluoranyl-3-(1,3,5-trimethylpyrazol-4-yl)phenyl]-1~{H}-imidazo[4,5-b]pyridine, Bromodomain-containing protein 4 | Authors: | Cao, D, Zhiyan, D, Xiong, B. | Deposit date: | 2023-02-10 | Release date: | 2023-10-04 | Method: | X-RAY DIFFRACTION (1.45 Å) | Cite: | Discovery of 1 H -Imidazo[4,5- b ]pyridine Derivatives as Potent and Selective BET Inhibitors for the Management of Neuropathic Pain. J.Med.Chem., 66, 2023
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7P6W
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3bg | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)benzamido)acetamido)acetate | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.31 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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7P6V
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 3ag | Descriptor: | Bromodomain-containing protein 4, ethyl 2-(2-(4-azido-N-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)methyl)-2,3,5,6-tetrafluorobenzamido)acetamido)acetate | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-06-19 | Method: | X-RAY DIFFRACTION (1.17 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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7P6Y
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH compound 5ef | Descriptor: | 4-benzoyl-N-(2-(2-(2-((2-(1,5-dimethyl-6-oxo-1,6-dihydropyridin-3-yl)-1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-6-yl)(methyl)amino)ethoxy)ethoxy)ethyl)-N-(2-oxo-2-((2-(2-(prop-2-yn-1-yloxy)ethoxy)ethyl)amino)ethyl)benzamide, Bromodomain-containing protein 4 | Authors: | Chung, C. | Deposit date: | 2021-07-18 | Release date: | 2021-10-06 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.881 Å) | Cite: | One-Step Synthesis of Photoaffinity Probes for Live-Cell MS-Based Proteomics. Chemistry, 27, 2021
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6P05
| Bromodomain-containing protein 4 (BRD4) bromodomain 1 (BD1) complexed with compound 27 | Descriptor: | Bromodomain-containing protein 4, GLYCEROL, N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide | Authors: | Ratia, K.M, Xiong, R, Li, Y, Zhao, J, Gutgesell, L.M, Shen, Z, Dye, K, Dubrovyskyii, O, Zhao, H, Huang, F, Tonetti, D.A, Thatcher, G.R. | Deposit date: | 2019-05-16 | Release date: | 2020-05-20 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.54 Å) | Cite: | Novel Pyrrolopyridone Bromodomain and Extra-Terminal Motif (BET) Inhibitors Effective in Endocrine-Resistant ER+ Breast Cancer with Acquired Resistance to Fulvestrant and Palbociclib. J.Med.Chem., 63, 2020
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7OYA
| Cryo-EM structure of the 1 hpf zebrafish embryo 80S ribosome | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | Authors: | Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A. | Deposit date: | 2021-06-24 | Release date: | 2022-07-13 | Last modified: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (3.2 Å) | Cite: | A molecular network of conserved factors keeps ribosomes dormant in the egg. Nature, 613, 2023
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7OYB
| Cryo-EM structure of the 6 hpf zebrafish embryo 80S ribosome | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | Authors: | Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A. | Deposit date: | 2021-06-24 | Release date: | 2022-07-13 | Last modified: | 2024-07-17 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | A molecular network of conserved factors keeps ribosomes dormant in the egg. Nature, 613, 2023
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7OYD
| Cryo-EM structure of a rabbit 80S ribosome with zebrafish Dap1b | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S11, ... | Authors: | Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A. | Deposit date: | 2021-06-24 | Release date: | 2022-07-20 | Last modified: | 2024-04-24 | Method: | ELECTRON MICROSCOPY (2.3 Å) | Cite: | A molecular network of conserved factors keeps ribosomes dormant in the egg. Nature, 613, 2023
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7OYC
| Cryo-EM structure of the Xenopus egg 80S ribosome | Descriptor: | 18S rRNA, 28S rRNA, 40S ribosomal protein S10, ... | Authors: | Leesch, F, Lorenzo-Orts, L, Grishkovskaya, I, Kandolf, S, Belacic, K, Meinhart, A, Haselbach, D, Pauli, A. | Deposit date: | 2021-06-24 | Release date: | 2022-07-20 | Last modified: | 2023-02-08 | Method: | ELECTRON MICROSCOPY (2.4 Å) | Cite: | A molecular network of conserved factors keeps ribosomes dormant in the egg. Nature, 613, 2023
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8K14
| X-ray crystal structure of 18a in BRD4(1) | Descriptor: | 4-[8-methoxy-2-methyl-1-(1-phenylethyl)imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole, Bromodomain-containing protein 4 | Authors: | Xu, H, Shen, H, Zhang, Y, Xu, Y, Li, R. | Deposit date: | 2023-07-10 | Release date: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.28 Å) | Cite: | Discovery of (R)-4-(8-methoxy-2-methyl-1-(1-phenylethy)-1H-imidazo[4,5-c]quinnolin-7-yl)-3,5-dimethylisoxazole as a potent and selective BET inhibitor for treatment of acute myeloid leukemia (AML) guided by FEP calculation. Eur.J.Med.Chem., 263, 2024
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3ZYU
| Crystal Structure of the first bromodomain of human BRD4 in complex with I-BET151(GSK1210151A) | Descriptor: | 1,2-ETHANEDIOL, 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE, BROMODOMAIN-CONTAINING PROTEIN 4 | Authors: | Chung, C.W, Mirguet, O. | Deposit date: | 2011-08-25 | Release date: | 2011-11-02 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Inhibition of Bet Recruitment to Chromatin as an Effective Treatment for Mll-Fusion Leukaemia. Nature, 478, 2011
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7Q3F
| Bromodomain-containing 4 BD1 in complex with the inhibitor CRCM5484 | Descriptor: | 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide, Bromodomain-containing protein 4 | Authors: | Carrasco, K, Betzi, S, Morelli, X. | Deposit date: | 2021-10-27 | Release date: | 2022-04-20 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.21 Å) | Cite: | CRCM5484: A BET-BDII Selective Compound with Differential Anti-leukemic Drug Modulation J.Med.Chem., 65, 2022
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6PRT
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3UVX
| Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K12acK16ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, FORMIC ACID, ... | Authors: | Filippakopoulos, P, Picaud, S, Keates, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-11-30 | Release date: | 2012-01-25 | Last modified: | 2024-10-09 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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3UVW
| Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K5acK8ac) | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, Histone H4 | Authors: | Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-11-30 | Release date: | 2012-01-18 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (1.37 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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3UW9
| Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K8acK12ac) | Descriptor: | Bromodomain-containing protein 4, histone 4 peptide (H4K8acK12ac) | Authors: | Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-12-01 | Release date: | 2012-03-14 | Last modified: | 2024-10-16 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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3UVY
| Crystal Structure of the first bromodomain of human BRD4 in complex with a diacetylated histone 4 peptide (H4K16acK20ac) | Descriptor: | Bromodomain-containing protein 4, Histone H4 | Authors: | Filippakopoulos, P, Felletar, I, Picaud, S, Keates, T, Muniz, J, Gileadi, O, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2011-11-30 | Release date: | 2012-01-18 | Last modified: | 2023-12-06 | Method: | X-RAY DIFFRACTION (2.02 Å) | Cite: | Histone recognition and large-scale structural analysis of the human bromodomain family. Cell(Cambridge,Mass.), 149, 2012
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6Q3Z
| Crystal structure of the first bromodomain of human BRD4 in complex with the inhibitor 16k | Descriptor: | (7~{R})-2-[[2-ethoxy-4-(1-methylpiperidin-4-yl)phenyl]amino]-7-ethyl-5-methyl-8-[(4-methylthiophen-2-yl)methyl]-7~{H}-pteridin-6-one, 1,2-ETHANEDIOL, Bromodomain-containing protein 4 | Authors: | Heidenreich, D, Watts, E, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Knapp, S, Hoelder, S, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-04 | Release date: | 2019-03-06 | Last modified: | 2024-01-24 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Designing Dual Inhibitors of Anaplastic Lymphoma Kinase (ALK) and Bromodomain-4 (BRD4) by Tuning Kinase Selectivity. J.Med.Chem., 62, 2019
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4APH
| Human angiotensin-converting enzyme in complex with angiotensin-II | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | Authors: | Masuyer, G, Schwager, S.L.U, Sturrock, E.D, Isaac, R.E, Acharya, K.R. | Deposit date: | 2012-04-03 | Release date: | 2012-10-17 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Molecular Recognition and Regulation of Human Angiotensin-I Converting Enzyme (Ace) Activity by Natural Inhibitory Peptides. Sci.Rep., 2, 2012
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8OV6
| Ternary structure of intramolecular bivalent glue degrader IBG1 bound to BRD4 and DCAF16:DDB1deltaBPB | Descriptor: | Bromodomain-containing protein 4, DDB1- and CUL4-associated factor 16, DDB1deltaBPB, ... | Authors: | Cowan, A.D, Sundaramoorthy, R, Nakasone, M.A, Ciulli, A. | Deposit date: | 2023-04-25 | Release date: | 2023-05-17 | Last modified: | 2024-03-13 | Method: | ELECTRON MICROSCOPY (3.77 Å) | Cite: | Targeted protein degradation via intramolecular bivalent glues. Nature, 627, 2024
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4A9L
| N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 1,3-DIMETHYL-6-(MORPHOLINE- 4-SULFONYL)-1,2,3,4-TETRAHYDROQUINAZOLIN-2-ONE | Descriptor: | 1,2-ETHANEDIOL, 1,3-dimethyl-6-(morpholin-4-ylsulfonyl)-3,4-dihydroquinazolin-2(1H)-one, BROMODOMAIN-CONTAINING PROTEIN 4, ... | Authors: | Chung, C.W, Bamborough, P. | Deposit date: | 2011-11-26 | Release date: | 2012-01-11 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Fragment-Based Discovery of Bromodomain Inhibitors Part 1: Inhibitor Binding Modes and Implications for Lead Discovery. J.Med.Chem., 55, 2012
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