5ZNK
 
 | | Crystal structure of a bacterial ProRS with ligands | | Descriptor: | 7-chloro-6-fluoro-3-{2-oxo-3-[(2S)-piperidin-2-yl]propyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cheng, B, Yu, Y, Zhou, H. | | Deposit date: | 2018-04-09 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.07 Å) | | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
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5ZNJ
 | | Crystal structure of a bacterial ProRS with ligands | | Descriptor: | 7-bromo-6-chloro-3-{3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl}quinazolin-4(3H)-one, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Cheng, B, Yu, Y, Zhou, H. | | Deposit date: | 2018-04-09 | | Release date: | 2019-05-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.84 Å) | | Cite: | Structure-Guided Design of Halofuginone Derivatives as ATP-Aided Inhibitors Against Bacterial Prolyl-tRNA Synthetase.
J.Med.Chem., 65, 2022
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5Z9F
 | | Bacterial GyrB ATPase domain in complex with a chemical fragment | | Descriptor: | 1H-benzimidazol-2-amine, 2-hydroxybenzonitrile, DNA gyrase subunit B, ... | | Authors: | Huang, X, Zhou, H. | | Deposit date: | 2018-02-03 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.76 Å) | | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
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5Z9L
 | | Bacterial GyrB ATPase domain in complex with a chemical fragment | | Descriptor: | 1H-benzimidazol-2-amine, 2-fluoro-4-hydroxybenzonitrile, DNA gyrase subunit B, ... | | Authors: | Huang, X, Zhou, H. | | Deposit date: | 2018-02-03 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
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5Z9Q
 | | Bacterial GyrB ATPase domain in complex with a chemical fragment | | Descriptor: | 1H-benzimidazol-2-amine, 5-phenyl-1H-pyrazol-3-amine, DNA gyrase subunit B, ... | | Authors: | Huang, X, Zhou, H. | | Deposit date: | 2018-02-04 | | Release date: | 2018-12-12 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Medchemcomm, 9, 2018
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5Z4O
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7VEH
 | | Type I-F Anti-CRISPR protein AcrIF13 | | Descriptor: | AcrIF13 | | Authors: | Gao, T, Feng, Y. | | Deposit date: | 2021-09-08 | | Release date: | 2022-07-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
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7WM7
 | | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | | Descriptor: | (2S,3R)-2-azanyl-N-[5-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)pentyl]-3-oxidanyl-N-[[3-(1-oxidanylidene-2,3-dihydroisoindol-5-yl)phenyl]methyl]butanamide, Threonine--tRNA ligase, ZINC ION | | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | | Deposit date: | 2022-01-14 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
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7WMI
 | | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | | Descriptor: | (2S,3R)-2-azanyl-N-[(1R)-2-[3-(7-bromanyl-6-chloranyl-4-oxidanylidene-quinazolin-3-yl)propanoylamino]-1-(3-phenylphenyl)ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | | Deposit date: | 2022-01-14 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
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7WMF
 | | Threonyl-tRNA synthetase from Salmonella enterica in complex with an inhibitor | | Descriptor: | (2S,3R)-2-azanyl-N-[(1R)-2-[3-[6,7-bis(chloranyl)-4-oxidanylidene-quinazolin-3-yl]propanoylamino]-1-[3-[4-(trifluoromethyl)phenyl]phenyl]ethyl]-3-oxidanyl-butanamide, 1,2-ETHANEDIOL, Threonine--tRNA ligase, ... | | Authors: | Cai, Z, Chen, B, Yu, Y, Zhou, H. | | Deposit date: | 2022-01-14 | | Release date: | 2022-04-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Design, Synthesis, and Proof-of-Concept of Triple-Site Inhibitors against Aminoacyl-tRNA Synthetases.
J.Med.Chem., 65, 2022
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7CBB
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7D60
 | | Cryo-EM Structure of human CALHM5 in the presence of rubidium red | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5 | | Authors: | Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-23 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (2.61 Å) | | Cite: | Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
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7D65
 | | Cryo-EM Structure of human CALHM5 in the presence of Ca2+ | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5 | | Authors: | Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S. | | Deposit date: | 2020-09-29 | | Release date: | 2020-12-23 | | Method: | ELECTRON MICROSCOPY (2.94 Å) | | Cite: | Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
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7D61
 | | Cryo-EM Structure of human CALHM5 in the presence of EDTA | | Descriptor: | 1,2-DIOCTANOYL-SN-GLYCERO-3-PHOSPHATE, Calcium homeostasis modulator protein 5 | | Authors: | Liu, J, Guan, F.H, Wu, J, Wan, F.T, Lei, M, Ye, S. | | Deposit date: | 2020-09-28 | | Release date: | 2020-12-23 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Cryo-EM structures of human calcium homeostasis modulator 5.
Cell Discov, 6, 2020
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7FI4
 | | Structure of AcrIF13 | | Descriptor: | AcrIF13 | | Authors: | Feng, Y, Gao, T. | | Deposit date: | 2021-07-30 | | Release date: | 2022-07-06 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (3.03 Å) | | Cite: | Mechanistic insights into the inhibition of the CRISPR-Cas surveillance complex by anti-CRISPR protein AcrIF13.
J.Biol.Chem., 298, 2022
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7DOR
 | | E. coli GyrB ATPase domain in complex with 4-nitropheno | | Descriptor: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, P-NITROPHENOL, ... | | Authors: | Yu, Y, Zhou, H. | | Deposit date: | 2020-12-16 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
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7DPR
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7DPS
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7DQH
 | | E. coli GyrB ATPase domain in complex with 2-hydroxybenzamide | | Descriptor: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... | | Authors: | Yu, Y, Zhou, H. | | Deposit date: | 2020-12-23 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
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7DQI
 | | E. coli GyrB ATPase domain in complex with Esculetin | | Descriptor: | 1H-benzimidazol-2-amine, 6,7-bis(oxidanyl)chromen-2-one, DNA gyrase subunit B, ... | | Authors: | Yu, Y, Zhou, H. | | Deposit date: | 2020-12-23 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
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7DQJ
 | | E. coli GyrB ATPase domain in complex with 3,4-Dihydroxyacetophenone | | Descriptor: | 1-[3,4-bis(oxidanyl)phenyl]ethanone, 1H-benzimidazol-2-amine, DNA gyrase subunit B, ... | | Authors: | Yu, Y, Zhou, H. | | Deposit date: | 2020-12-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
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7DQF
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7DQU
 | | E. coli GyrB ATPase domain in complex with methyl 4-hydroxybenzoate | | Descriptor: | 1H-benzimidazol-2-amine, 4-HYDROXY-BENZOIC ACID METHYL ESTER, DNA gyrase subunit B, ... | | Authors: | Yu, Y, Zhou, H. | | Deposit date: | 2020-12-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
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7DQL
 | | E. coli GyrB ATPase domain in complex with 4-chlorobenzene-1,2-diol | | Descriptor: | 1H-benzimidazol-2-amine, 4-CHLOROBENZENE-1,2-DIOL, DNA gyrase subunit B, ... | | Authors: | Yu, Y, Zhou, H. | | Deposit date: | 2020-12-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
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7DQM
 | | E. coli GyrB ATPase domain in complex with Naringenin | | Descriptor: | 1H-benzimidazol-2-amine, DNA gyrase subunit B, PHOSPHATE ION, ... | | Authors: | Yu, Y, Zhou, H. | | Deposit date: | 2020-12-24 | | Release date: | 2021-10-27 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Identification of new building blocks by fragment screening for discovering GyrB inhibitors.
Bioorg.Chem., 114, 2021
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