7WPN
 
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor and ATP | | Descriptor: | (phenylmethyl) N-[(2R)-2-[2-(4-bromanyl-3-oxidanyl-phenyl)-5-(methylcarbamoyl)benzimidazol-1-yl]-2-(3,4-dimethoxyphenyl)ethyl]carbamate, 1,2-ETHANEDIOL, ACETIC ACID, ... | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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7WPL
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with ATP | | Descriptor: | 1,2-ETHANEDIOL, ADENOSINE-5'-TRIPHOSPHATE, Methionine--tRNA ligase | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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7WPJ
 | | Methionyl-tRNA synthetase from Staphylococcus aureus | | Descriptor: | 1,2-ETHANEDIOL, Methionine--tRNA ligase | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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7WPI
 | | Methionyl-tRNA synthetase from Staphylococcus aureus complexed with a phenylbenzimidazole inhibitor | | Descriptor: | 1,2-ETHANEDIOL, 2-(4-bromanyl-3-oxidanyl-phenyl)-1-[(1R)-2-[2-(2-tert-butylphenoxy)ethanoylamino]-1-(3,4-dimethoxyphenyl)ethyl]-N-methyl-benzimidazole-5-carboxamide, ACETATE ION, ... | | Authors: | Yi, J, Cai, Z, Qiu, H, Lu, F, Chen, B, Luo, Z, Gu, Q, Xu, J, Zhou, H. | | Deposit date: | 2022-01-24 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Fragment screening and structural analyses highlight the ATP-assisted ligand binding for inhibitor discovery against type 1 methionyl-tRNA synthetase.
Nucleic Acids Res., 50, 2022
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8H3G
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL | | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | | Deposit date: | 2022-10-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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8H3L
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir | | Descriptor: | 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione | | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | | Deposit date: | 2022-10-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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8H3K
 | | Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir | | Descriptor: | 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ... | | Authors: | Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H. | | Deposit date: | 2022-10-08 | | Release date: | 2023-10-11 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
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7DMC
 | | Dipyridamole binds to the N-terminal domain of human Hsp90A | | Descriptor: | 2-[[2-[bis(2-hydroxyethyl)amino]-4,8-di(piperidin-1-yl)pyrimido[5,4-d]pyrimidin-6-yl]-(2-hydroxyethyl)amino]ethanol, CHLORIDE ION, Heat shock protein HSP 90-alpha, ... | | Authors: | Shi, L, Zhou, C, Zhong, Y, Gao, J, Zhou, H, Zhang, N. | | Deposit date: | 2020-12-03 | | Release date: | 2021-12-08 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.34 Å) | | Cite: | Dipyridamole interacts with the N-terminal domain of HSP90 and antagonizes the function of the chaperone in multiple cancer cell lines.
Biochem Pharmacol, 207, 2022
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7C4U
 | | MicroED structure of orthorhombic Vancomycin at 1.2 A resolution | | Descriptor: | CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose | | Authors: | Fan, Q, Zhou, H, Li, X, Wang, J. | | Deposit date: | 2020-05-18 | | Release date: | 2020-08-12 | | Last modified: | 2021-03-17 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.2 Å) | | Cite: | Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7C4V
 | | MicroED structure of anorthic Vancomycin at 1.05 A resolution | | Descriptor: | CHLORIDE ION, Vancomycin, vancosamine-(1-2)-beta-D-glucopyranose | | Authors: | Fan, Q, Zhou, H, Li, X, Wang, J. | | Deposit date: | 2020-05-18 | | Release date: | 2020-08-12 | | Last modified: | 2023-11-29 | | Method: | ELECTRON CRYSTALLOGRAPHY (1.05 Å) | | Cite: | Precise Control Over Kinetics of Molecular Assembly: Production of Particles with Tunable Sizes and Crystalline Forms.
Angew.Chem.Int.Ed.Engl., 59, 2020
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5X4J
 | | The crystal structure of Pyrococcus furiosus RecJ (Zn-soaking) | | Descriptor: | CHLORIDE ION, Uncharacterized protein, ZINC ION | | Authors: | Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P. | | Deposit date: | 2017-02-13 | | Release date: | 2018-02-14 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.04 Å) | | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
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5X4K
 | | The complex crystal structure of Pyrococcus furiosus RecJ and CMP | | Descriptor: | CYTIDINE-5'-MONOPHOSPHATE, Uncharacterized protein, ZINC ION | | Authors: | Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P. | | Deposit date: | 2017-02-13 | | Release date: | 2018-02-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.749 Å) | | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
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5X4H
 | | The crystal structure of Pyrococcus furiosus RecJ (wild-type) | | Descriptor: | MAGNESIUM ION, Uncharacterized protein | | Authors: | Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P. | | Deposit date: | 2017-02-13 | | Release date: | 2018-02-14 | | Last modified: | 2019-12-18 | | Method: | X-RAY DIFFRACTION (2.801 Å) | | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
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5X4I
 | | Pyrococcus furiosus RecJ (D83A, Mn-soaking) | | Descriptor: | CHLORIDE ION, MANGANESE (II) ION, Uncharacterized protein | | Authors: | Li, M.J, Yi, G.S, Yu, F, Zhou, H, Chen, J.N, Xu, C.Y, Wang, F.P, Xiao, X, He, J.H, Liu, X.P. | | Deposit date: | 2017-02-13 | | Release date: | 2018-02-14 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.092 Å) | | Cite: | The crystal structure of Pyrococcus furiosus RecJ implicates it as an ancestor of eukaryotic Cdc45.
Nucleic Acids Res., 45, 2017
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5XSG
 | | Ultrahigh resolution structure of FUS (37-42) SYSGYS determined by MicroED | | Descriptor: | RNA-binding protein FUS | | Authors: | Luo, F, Gui, X, Zhou, H, Li, D, Li, X, Liu, C. | | Deposit date: | 2017-06-14 | | Release date: | 2018-04-04 | | Last modified: | 2024-03-27 | | Method: | ELECTRON CRYSTALLOGRAPHY (0.73 Å) | | Cite: | Atomic structures of FUS LC domain segments reveal bases for reversible amyloid fibril formation.
Nat. Struct. Mol. Biol., 25, 2018
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7VRB
 | | Structure of the Human BRG1/SS18 complex | | Descriptor: | SMARCA4 protein,Protein SSXT | | Authors: | Cheng, Y, Chen, F, Zhou, H, Long, J. | | Deposit date: | 2021-10-22 | | Release date: | 2022-05-25 | | Last modified: | 2022-12-07 | | Method: | X-RAY DIFFRACTION (2.389 Å) | | Cite: | Phase transition and remodeling complex assembly are important for SS18-SSX oncogenic activity in synovial sarcomas.
Nat Commun, 13, 2022
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7C2Q
 | | The crystal structure of COVID-19 main protease in the apo state | | Descriptor: | 3C-like proteinase | | Authors: | Zhou, X.L, Zhong, F.L, Lin, C, Hu, X.H, Zhou, H, Wang, Q.S, Li, j, Zhang, J. | | Deposit date: | 2020-05-08 | | Release date: | 2020-09-02 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Structure of SARS-CoV-2 main protease in the apo state.
Sci China Life Sci, 64, 2021
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8I2J
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8I27
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8I4I
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8I2M
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8I1Y
 | | The structure of E. coli TrpRS bound with a chemical fragment | | Descriptor: | 5-ethanoylthiophene-2-carbonitrile, SULFATE ION, TRYPTOPHANYL-5'AMP, ... | | Authors: | Xiang, M, Zhou, H. | | Deposit date: | 2023-01-13 | | Release date: | 2023-04-12 | | Last modified: | 2023-06-07 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening.
Nucleic Acids Res., 51, 2023
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8I2A
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8I1W
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8I2C
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