3N9Q
 
 | | ceKDM7A from C.elegans, complex with H3K4me3 peptide, H3K27me2 peptide and NOG | | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | | Deposit date: | 2010-05-31 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
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3N9N
 | | ceKDM7A from C.elegans, complex with H3K4me3K9me2 peptide and NOG | | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | | Deposit date: | 2010-05-31 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.299 Å) | | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
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3N9L
 | | ceKDM7A from C.elegans, complex with H3K4me3 peptide and NOG | | Descriptor: | FE (II) ION, Histone H3 peptide, N-OXALYLGLYCINE, ... | | Authors: | Yang, Y, Hu, L, Wang, P, Hou, H, Chen, C.D, Xu, Y. | | Deposit date: | 2010-05-31 | | Release date: | 2010-06-30 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.796 Å) | | Cite: | Structural insights into a dual-specificity histone demethylase ceKDM7A from Caenorhabditis elegans
Cell Res., 20, 2010
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2IE3
 | | Structure of the Protein Phosphatase 2A Core Enzyme Bound to Tumor-inducing Toxins | | Descriptor: | MANGANESE (II) ION, Protein Phosphatase 2, regulatory subunit A (PR 65), ... | | Authors: | Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y. | | Deposit date: | 2006-09-17 | | Release date: | 2006-11-07 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
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2IE4
 | | Structure of the Protein Phosphatase 2A Core Enzyme Bound to okadaic acid | | Descriptor: | MANGANESE (II) ION, OKADAIC ACID, Protein Phosphatase 2, ... | | Authors: | Xing, Y, Xu, Y, Chen, Y, Jeffrey, P.D, Chao, Y, Shi, Y. | | Deposit date: | 2006-09-17 | | Release date: | 2006-11-07 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structure of Protein Phosphatase 2A Core Enzyme Bound to Tumor-Inducing Toxins
Cell(Cambridge,Mass.), 127, 2006
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5EOB
 | | Crystal structure of CMET in complex with novel inhibitor | | Descriptor: | 6-[bis(fluoranyl)-[6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl]methyl]quinoline, Hepatocyte growth factor receptor | | Authors: | Liu, Q, Chen, T, Xu, Y. | | Deposit date: | 2015-11-10 | | Release date: | 2016-10-19 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Discovery of 6-(difluoro(6-(4-fluorophenyl)-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl)quinoline as a highly potent and selective c-Met inhibitor
Eur.J.Med.Chem., 116, 2016
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3CTM
 | | Crystal Structure of a Carbonyl Reductase from Candida Parapsilosis with anti-Prelog Stereo-specificity | | Descriptor: | Carbonyl Reductase | | Authors: | Zhang, R, Zhu, G, Li, X, Xu, Y, Zhang, X.C, Rao, Z. | | Deposit date: | 2008-04-14 | | Release date: | 2008-05-27 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Crystal structure of a carbonyl reductase from Candida parapsilosis with anti-Prelog stereospecificity.
Protein Sci., 17, 2008
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3J8G
 | | Electron cryo-microscopy structure of EngA bound with the 50S ribosomal subunit | | Descriptor: | 23S rRNA, 50S ribosomal protein L1, 50S ribosomal protein L11, ... | | Authors: | Zhang, X, Yan, K, Zhang, Y, Li, N, Ma, C, Li, Z, Zhang, Y, Feng, B, Liu, J, Sun, Y, Xu, Y, Lei, J, Gao, N. | | Deposit date: | 2014-10-24 | | Release date: | 2014-11-26 | | Last modified: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (5 Å) | | Cite: | Structural insights into the function of a unique tandem GTPase EngA in bacterial ribosome assembly
Nucleic Acids Res., 2014
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5CPE
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, 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: | 2024-03-20 | | 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
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5COI
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1-({[(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)sulfonyl]amino}methyl)cyclopentanecarboxylic acid, Bromodomain-containing protein 4 | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-20 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | 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
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5CP5
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, 1-ethyl-N-(4-fluorophenyl)-2-oxo-1,2-dihydrobenzo[cd]indole-6-sulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-21 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | 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
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5CS8
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-23 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | 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
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5D0C
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-08-03 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-29 | | 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
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5CTL
 | | 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: | 2024-03-20 | | 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
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5CRM
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-23 | | Release date: | 2016-01-13 | | Last modified: | 2024-03-20 | | 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
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5CY9
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 4, GLYCEROL, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-30 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | 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
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5CQT
 | | 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: | 2023-11-08 | | 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
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5CRZ
 | | Crystal Structure of the first bromodomain of human BRD4 in complex with benzo[cd]indol-2(1H)-one ligand | | Descriptor: | 1,2-ETHANEDIOL, 2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide, Bromodomain-containing protein 4, ... | | Authors: | Zhang, Y, Song, M, Liu, Z, Xue, X, Xu, Y. | | Deposit date: | 2015-07-23 | | Release date: | 2016-01-13 | | Last modified: | 2023-11-08 | | 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
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5ILI
 | | Tobacco 5-epi-aristolochene synthase with CAPSO buffer molecule and Mg2+ ions | | Descriptor: | (2R)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, (2S)-3-(cyclohexylamino)-2-hydroxypropane-1-sulfonic acid, 5-epi-aristolochene synthase, ... | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
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8W8E
 | | human co-transcriptional RNA capping enzyme RNGTT | | Descriptor: | DNA (36-MER), DNA (45-MER), DNA-directed RNA polymerase II subunit E, ... | | Authors: | Li, Y, Wang, Q, Xu, Y, Li, Z. | | Deposit date: | 2023-09-02 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Strcutures of co-transcriptional RNA capping enzymes on paused transcription complex
To Be Published
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5ILD
 | | Tobacco 5-epi-aristolochene synthase with MES buffer molecule and Mg2+ ions | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5-epi-aristolochene synthase, MAGNESIUM ION | | Authors: | Koo, H.J, Louie, G.V, Xu, Y, Bowman, M, Noel, J.P. | | Deposit date: | 2016-03-04 | | Release date: | 2017-03-08 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Small-molecule buffer components can directly affect terpene-synthase activity by interacting with the substrate-binding site of the enzyme
To Be Published
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5IM1
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8W8F
 | | human co-transcriptional RNA capping enzyme RNGTT-CMTR1 | | Descriptor: | Cap-specific mRNA (nucleoside-2'-O-)-methyltransferase 1, DNA (36-MER), DNA (45-MER), ... | | Authors: | Li, Y, Wang, Q, Xu, Y, Li, Z. | | Deposit date: | 2023-09-02 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Strcutures of co-transcriptional RNA capping enzymes on paused transcription complex
To Be Published
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8DD4
 | | PI 3-kinase alpha with nanobody 3-142 | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-06-17 | | Release date: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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8DD8
 | | PI 3-kinase alpha with nanobody 3-142, crosslinked with DSG | | Descriptor: | Phosphatidylinositol 3-kinase regulatory subunit alpha, Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | | Authors: | Hart, J.R, Liu, X, Pan, C, Liang, A, Ueno, L, Xu, Y, Quezada, A, Zou, X, Yang, S, Zhou, Q, Schoonooghe, S, Hassanzadeh-Ghassabeh, G, Xia, T, Shui, W, Yang, D, Vogt, P.K, Wang, M.-W. | | Deposit date: | 2022-06-17 | | Release date: | 2022-09-21 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Nanobodies and chemical cross-links advance the structural and functional analysis of PI3K alpha.
Proc.Natl.Acad.Sci.USA, 119, 2022
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