Author results

2HOB
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CRYSTAL STRUCTURE OF SARS-COV MAIN PROTEASE WITH AUTHENTIC N AND C-TERMINI IN COMPLEX WITH A MICHAEL ACCEPTOR N3
Descriptor:Replicase polyprotein 1ab, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Xue, X., Yang, H., Shen, W., Zhao, Q., Li, J., Rao, Z.
Deposit date:2006-07-14
Release date:2007-04-03
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
5O32
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THE STRUCTURE OF COMPLEMENT COMPLEX
Descriptor:Complement C3, Complement factor H,Complement factor H, Complement factor I, ...
Authors:Xue, X., Wu, J., Forneris, F., Gros, P.
Deposit date:2017-05-23
Release date:2017-06-28
Last modified:2017-08-16
Method:X-RAY DIFFRACTION (4.206209 Å)
Cite:Regulator-dependent mechanisms of C3b processing by factor I allow differentiation of immune responses.
Nat. Struct. Mol. Biol., 24, 2017
5O35
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STRUCTURE OF COMPLEMENT PROTEINS COMPLEX
Descriptor:Complement C3, Complement factor H,Complement factor H, N-ACETYL-D-GLUCOSAMINE
Authors:Xue, X., Wu, J., Forneris, F., Gros, P.
Deposit date:2017-05-23
Release date:2017-06-28
Last modified:2018-01-31
Method:X-RAY DIFFRACTION (4.2 Å)
Cite:Regulator-dependent mechanisms of C3b processing by factor I allow differentiation of immune responses.
Nat. Struct. Mol. Biol., 24, 2017
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
Last modified:2019-06-12
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Benzoxazinone-containing 3,5-dimethylisoxazole derivatives as BET bromodomain inhibitors for treatment of castration-resistant prostate cancer.
Eur.J.Med.Chem., 152, 2018
2H2Z
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CRYSTAL STRUCTURE OF SARS-COV MAIN PROTEASE WITH AUTHENTIC N AND C-TERMINI
Descriptor:Replicase polyprotein 1ab
Authors:Yang, H., Xue, X., Shen, W., Zhao, Q., Rao, Z.
Deposit date:2006-05-20
Release date:2007-04-03
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Production of authentic SARS-CoV M(pro) with enhanced activity: application as a novel tag-cleavage endopeptidase for protein overproduction
J.Mol.Biol., 366, 2007
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
5Z0R
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STRUCTURAL INSIGHT INTO THE ZIKA VIRUS CAPSID ENCAPSULATING THE VIRAL GENOME
Descriptor:Extracellular solute-binding protein family 1,viral genome protein, MALTOSE
Authors:Li, T., Zhao, Q., Yang, X., Chen, C., Yang, K., Wu, C., Zhang, T., Duan, Y., Xue, X., Mi, K., Ji, X., Wang, Z., Yang, H.
Deposit date:2017-12-20
Release date:2018-04-11
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
5Z0V
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STRUCTURAL INSIGHT INTO THE ZIKA VIRUS CAPSID ENCAPSULATING THE VIRAL GENOME
Descriptor:Extracellular solute-binding protein family 1,viral genome protein, MALTOSE
Authors:Li, T., Zhao, Q., Yang, X., Chen, C., Yang, K., Wu, C., Zhang, T., Duan, Y., Xue, X., Mi, K., Ji, X., Wang, Z., Yang, H.
Deposit date:2017-12-21
Release date:2018-04-11
Last modified:2018-05-02
Method:X-RAY DIFFRACTION (2.913 Å)
Cite:Structural insight into the Zika virus capsid encapsulating the viral genome.
Cell Res., 28, 2018
4LG5
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ABA-MIMICKING LIGAND QUINABACTIN IN COMPLEX WITH ABA RECEPTOR PYL2 AND PP2C HAB1
Descriptor:Abscisic acid receptor PYL2, Protein phosphatase 2C 16, Quinabactin, ...
Authors:Zhou, X.E., Gao, M., Liu, X., Zhang, Y., Xue, X., Melcher, K., Gao, P., Wang, F., Zeng, L., Zhao, Y., Zhao, Y., Deng, P., Zhong, D., Zhu, J.-K., Xu, Y., Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.88 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
4LGA
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ABA-MIMICKING LIGAND N-(2-OXO-1-PROPYL-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-PHENYLMETHANESULFONAMIDE IN COMPLEX WITH ABA RECEPTOR PYL2 AND PP2C HAB1
Descriptor:Abscisic acid receptor PYL2, Protein phosphatase 2C 16, N-(2-oxo-1-propyl-1,2,3,4-tetrahydroquinolin-6-yl)-1-phenylmethanesulfonamide, ...
Authors:Zhou, X.E., Gao, M., Liu, X., Zhang, Y., Xue, X., Melcher, K., Gao, P., Wang, F., Zeng, L., Zhao, Y., Zhao, Y., Deng, P., Zhong, D., Zhu, J.-K., Xu, Y., Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
4LGB
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ABA-MIMICKING LIGAND N-(1-METHYL-2-OXO-1,2,3,4-TETRAHYDROQUINOLIN-6-YL)-1-(4-METHYLPHENYL)METHANESULFONAMIDE IN COMPLEX WITH ABA RECEPTOR PYL2 AND PP2C HAB1
Descriptor:Abscisic acid receptor PYL2, Protein phosphatase 2C 16, N-(1-methyl-2-oxo-1,2,3,4-tetrahydroquinolin-6-yl)-1-(4-methylphenyl)methanesulfonamide, ...
Authors:Zhou, X.E., Gao, M., Liu, X., Zhang, Y., Xue, X., Melcher, K., Gao, P., Wang, F., Zeng, L., Zhao, Y., Zhao, Y., Deng, P., Zhong, D., Zhu, J.-K., Xu, Y., Xu, H.E.
Deposit date:2013-06-27
Release date:2013-08-14
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (3.15 Å)
Cite:An ABA-mimicking ligand that reduces water loss and promotes drought resistance in plants.
Cell Res., 23, 2013
1WOF
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CRYSTAL STRUCTURE OF SARS-COV MPRO IN COMPLEX WITH AN INHIBITOR N1
Descriptor:3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H., Bartlam, M., Xue, X., Yang, K., Liang, W., Rao, Z.
Deposit date:2004-08-18
Release date:2005-08-30
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMD
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CRYSTAL STRUCTURE OF SARS_COV MPRO IN COMPLEX WITH AN INHIBITOR N9
Descriptor:3C-like proteinase, N-(3-FUROYL)-D-VALYL-L-VALYL-N~1~-((1R,2Z)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-D-LEUCINAMIDE
Authors:Yang, H., Xue, X., Yang, K., Zhao, Q., Bartlam, M., Rao, Z.
Deposit date:2005-08-09
Release date:2005-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMP
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CRYSTAL STRUCTURE OF PORCINE TRANSMISSIBLE GASTROENTERITIS VIRUS MPRO IN COMPLEX WITH AN INHIBITOR N1
Descriptor:3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]-L-ALANYL-L-VALYL-N~1~-((1S)-4-ETHOXY-4-OXO-1-{[(3S)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H., Xue, X., Yang, K., Zhao, Q., Bartlam, M., Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
2AMQ
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CRYSTAL STRUCTURE OF SARS_COV MPRO IN COMPLEX WITH AN INHIBITOR N3
Descriptor:3C-like proteinase, N-[(5-METHYLISOXAZOL-3-YL)CARBONYL]ALANYL-L-VALYL-N~1~-((1R,2Z)-4-(BENZYLOXY)-4-OXO-1-{[(3R)-2-OXOPYRROLIDIN-3-YL]METHYL}BUT-2-ENYL)-L-LEUCINAMIDE
Authors:Yang, H., Xue, X., Yang, K., Zhao, Q., Bartlam, M., Rao, Z.
Deposit date:2005-08-10
Release date:2005-09-13
Last modified:2015-12-09
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Design of Wide-Spectrum Inhibitors Targeting Coronavirus Main Proteases.
Plos Biol., 3, 2005
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