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5Y8Y
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4
Descriptor:Bromodomain-containing protein 4, NITRATE ION, 1,2-ETHANEDIOL, ...
Authors:Xu, Y., Zhang, Y., Song, M., Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Method:X-RAY DIFFRACTION (1.87 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5COI
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-07-20
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CP5
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, 1,2-ETHANEDIOL, ...
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-07-21
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CPE
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, N-cycloheptyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-07-21
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CQT
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, N-cyclohexyl-1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-07-22
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CRM
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, NITRATE ION, N,1-diethyl-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, ...
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-07-23
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CRZ
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, 1,2-ETHANEDIOL, NITRATE ION, ...
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-07-23
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.12 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CS8
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, methyl 2-[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfamoyl]benzoate, NITRATE ION, ...
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-07-23
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CTL
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)benzenesulfonamide
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-07-24
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5CY9
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, GLYCEROL, N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)butane-1-sulfonamide, ...
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-07-30
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5D0C
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, NITRATE ION, 1,2-ETHANEDIOL, ...
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-08-03
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5DX4
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CRYSTAL STRUCTURE OF THE FIRST BROMODOMAIN OF HUMAN BRD4 IN COMPLEX WITH BENZO[CD]INDOL-2(1H)-ONE LIGAND
Descriptor:Bromodomain-containing protein 4, 5-bromo-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-2-methoxybenzenesulfonamide, 1,2-ETHANEDIOL, ...
Authors:Zhang, Y., Song, M., Liu, Z., Xue, X., Xu, Y.
Deposit date:2015-09-23
Release date:2016-01-13
Last modified:2016-03-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Discovery of Benzo[cd]indol-2(1H)-ones as Potent and Specific BET Bromodomain Inhibitors: Structure-Based Virtual Screening, Optimization, and Biological Evaluation
J.Med.Chem., 59, 2016
5KW2
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THE EXTRA-HELICAL BINDING SITE OF GPR40 AND THE STRUCTURAL BASIS FOR ALLOSTERIC AGONISM AND INCRETIN STIMULATION
Descriptor:Free fatty acid receptor 1,Lysozyme,Free fatty acid receptor 1, (3~{S})-3-cyclopropyl-3-[2-[1-[2-[2,2-dimethylpropyl-(6-methylpyridin-2-yl)carbamoyl]-5-methoxy-phenyl]piperidin-4-yl]-1-benzofuran-6-yl]propanoic acid
Authors:Ho, J.D., Chau, B., Rodgers, L., Lu, F., Wilbur, K.L., Otto, K.A., Chen, Y., Song, M., Riley, J.P., Yang, H.-C., Reynolds, N.A., Kahl, S.D., Lewis, A.P., Groshong, C., Madsen, R.E., Conners, K., Linswala, J.P., Gheyi, T., Saflor, M.D., Lee, M.R., Benach, J., Baker, K.A., Montrose-Rafizadeh, C., Genin, M.J., Miller, A.R., Hamdouchi, C.
Deposit date:2016-07-15
Release date:2018-05-02
Last modified:2018-05-09
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structural basis for GPR40 allosteric agonism and incretin stimulation.
Nat Commun, 9, 2018
5XXH
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CRYSTAL STRUCTURE ANALYSIS OF THE CBP
Descriptor:CREB-binding protein, (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid, 1,2-ETHANEDIOL, ...
Authors:Xiang, Q., Zhang, Y., Wang, C., Song, M.
Deposit date:2017-07-04
Release date:2018-06-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and optimization of 1-(1H-indol-1-yl)ethanone derivatives as CBP/EP300 bromodomain inhibitors for the treatment of castration-resistant prostate cancer.
Eur J Med Chem, 147, 2018
5Y8C
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4
Descriptor:Bromodomain-containing protein 4, NITRATE ION, 5-chloranyl-2-methoxy-N-(6-methoxy-3-methyl-1,2-benzoxazol-5-yl)benzenesulfonamide, ...
Authors:Xu, Y., Zhang, Y., Song, M., Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8W
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4
Descriptor:Bromodomain-containing protein 4, 5-bromanyl-2-methoxy-N-(3-methyl-6-oxidanyl-1,2-benzoxazol-5-yl)benzenesulfonamide, 1,2-ETHANEDIOL, ...
Authors:Xu, Y., Zhang, Y., Song, M., Wang, C.
Deposit date:2017-08-21
Release date:2018-06-13
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y8Z
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4
Descriptor:Bromodomain-containing protein 4, 5-bromanyl-N-(3,6-dimethyl-1,2-benzoxazol-5-yl)-2-methoxy-benzenesulfonamide, 1,2-ETHANEDIOL, ...
Authors:Xu, Y., Zhang, Y., Song, M., Wang, C.
Deposit date:2017-08-22
Release date:2018-06-13
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y93
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4
Descriptor:Bromodomain-containing protein 4, 2-[[5-[(5-bromanyl-2-methoxy-phenyl)sulfonylamino]-3-methyl-1,2-benzoxazol-6-yl]oxy]-N-(2-morpholin-4-ylethyl)ethanamide, NITRATE ION, ...
Authors:Xu, Y., Zhang, Y., Song, M., Wang, C.
Deposit date:2017-08-22
Release date:2018-06-13
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5Y94
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4
Descriptor:Bromodomain-containing protein 4, 5-bromanyl-2-methoxy-N-[3-methyl-6-(methylamino)-1,2-benzoxazol-5-yl]benzenesulfonamide, NITRATE ION, ...
Authors:Xu, Y., Zhang, Y., Song, M., Wang, C.
Deposit date:2017-08-22
Release date:2018-06-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure-Based Discovery and Optimization of Benzo[ d]isoxazole Derivatives as Potent and Selective BET Inhibitors for Potential Treatment of Castration-Resistant Prostate Cancer (CRPC)
J. Med. Chem., 61, 2018
5YQX
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4
Descriptor:Bromodomain-containing protein 4, (2R)-2-(cyclopropylmethyl)-7-(3,5-dimethyl-1,2-oxazol-4-yl)-4H-1,4-benzoxazin-3-one, 1,2-ETHANEDIOL, ...
Authors:Xue, X., Zhang, Y., Wang, C., Song, M.
Deposit date:2017-11-08
Release date:2018-11-28
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Crystal Structure Analysis of the BRD4
To Be Published
5Z1R
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4
Descriptor:Bromodomain-containing protein 4, 5-bromo-N-(2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, 1,2-ETHANEDIOL, ...
Authors:Xu, Y., Zhang, Y., Xiang, Q., Song, M., Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Crystal Structure Analysis of the BRD4
To Be Published
5Z1S
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4(1)
Descriptor:Bromodomain-containing protein 4, 5-bromo-2-methoxy-N-(6-methoxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)benzene-1-sulfonamide, NITRATE ION, ...
Authors:Xu, Y., Zhang, Y., Xiang, Q., Song, M., Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure Analysis of the BRD4(1)
To Be Published
5Z1T
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CRYSTAL STRUCTURE ANALYSIS OF THE BRD4(1)
Descriptor:Bromodomain-containing protein 4, 5-bromo-N-(6-hydroxy-2,2-dimethyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazin-7-yl)-2-methoxybenzene-1-sulfonamide, NITRATE ION, ...
Authors:Xu, Y., Zhang, Y., Xiang, Q., Song, M., Wang, C.
Deposit date:2017-12-28
Release date:2019-01-02
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure Analysis of the BRD4(1)
To Be Published
4R8W
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CRYSTAL STRUCTURE OF H7 HEMAGGLUTININ FROM A/ANHUI/1/2013 IN COMPLEX WITH A NEUTRALIZING ANTIBODY CT149
Descriptor:Hemagglutinin, Heavy chain of neutralizing antibody CT149, Light chain of neutralizing antibody CT149, ...
Authors:Wu, Y., Shi, Y., Qi, J., Gao, G.F.
Deposit date:2014-09-03
Release date:2015-08-26
Method:X-RAY DIFFRACTION (2.795 Å)
Cite:A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus
Nat Commun, 6, 2015
4UBD
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CRYSTAL STRUCTURE OF A NEUTRALIZING HUMAN MONOCLONAL ANTIBODY WITH 1968 H3 HA
Descriptor:Hemagglutinin HA1 chain, Hemagglutinin HA2 chain, monoclonal antibody H chain, ...
Authors:Shore, D.A., Yang, H., Cho, M., Donis, R.O., Stevens, J.
Deposit date:2014-08-12
Release date:2015-06-24
Last modified:2017-09-27
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:A potent broad-spectrum protective human monoclonal antibody crosslinking two haemagglutinin monomers of influenza A virus.
Nat Commun, 6, 2015
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