6HNZ
 
 | | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM41231 | | 分子名称: | 4,4,4-tris(fluoranyl)-1-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]butan-1-one, HTH-type transcriptional regulator EthR | | 著者 | Wintjens, R, Wohlkonig, A. | | 登録日 | 2018-09-17 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
|
|
6HO2
 | |
6HO7
 | |
6HRW
 | | EthR2 in complex with compound 1 (BDM14272) | | 分子名称: | (1~{S},5~{R})-8-[2-(4-chlorophenyl)ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein | | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | | 登録日 | 2018-09-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
|
|
6HS2
 | | EthR2 in complex with compound 31 (BDM76150) | | 分子名称: | (1~{S},5~{R})-8-[2-[4-(trifluoromethyl)phenyl]ethyl]-8-azabicyclo[3.2.1]octan-3-one, Probable transcriptional regulatory protein | | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | | 登録日 | 2018-09-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
|
|
6HOE
 | |
6HRX
 | | EthR2 in complex with compound 2 (BDM72201) | | 分子名称: | 8-propan-2-ylsulfanyl-7~{H}-purin-6-amine, Probable transcriptional regulatory protein | | 著者 | Wintjens, R, Wohlkonig, A, Tanina, A. | | 登録日 | 2018-09-28 | | 公開日 | 2019-02-27 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | A fragment-based approach towards the discovery of N-substituted tropinones as inhibitors of Mycobacterium tuberculosis transcriptional regulator EthR2.
Eur J Med Chem, 167, 2019
|
|
6HNX
 | |
6HO1
 | |
6HO5
 | |
6HO3
 | |
6HOC
 | |
6HOF
 | |
6HOA
 | | TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44830 | | 分子名称: | 4-[2-(2-propylpyridin-4-yl)-1,3-thiazol-4-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, GLYCEROL, HTH-type transcriptional regulator EthR | | 著者 | Wintjens, R, Wohlkonig, A. | | 登録日 | 2018-09-17 | | 公開日 | 2018-12-26 | | 最終更新日 | 2024-01-24 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | A comprehensive analysis of the protein-ligand interactions in crystal structures of Mycobacterium tuberculosis EthR.
Biochim Biophys Acta Proteins Proteom, 1867, 2018
|
|
7ROR
 | | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with tyrosine-AMP | | 分子名称: | 5'-O-[(S)-{[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]oxy}(hydroxy)phosphoryl]adenosine, CHLORIDE ION, MAGNESIUM ION, ... | | 著者 | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | 登録日 | 2021-08-02 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
|
|
7ROS
 | | Plasmodium falciparum tyrosyl-tRNA synthetase in complex with ML901-Tyr | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | 著者 | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | 登録日 | 2021-08-02 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.15 Å) | | 主引用文献 | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
|
|
7ROU
 | | Structure of human tyrosyl tRNA synthetase in complex with ML901-Tyr | | 分子名称: | SULFATE ION, Tyrosine--tRNA ligase, cytoplasmic, ... | | 著者 | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | 登録日 | 2021-08-02 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | | 主引用文献 | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
|
|
7ROT
 | | Plasmodium falciparum tyrosyl-tRNA synthetase, S234C mutant, in complex with ML901-Tyr | | 分子名称: | CHLORIDE ION, MAGNESIUM ION, Tyrosine--tRNA ligase, ... | | 著者 | Metcalfe, R.D, Xie, S.C, Morton, C.J, Tilley, L, Griffin, M.D.W. | | 登録日 | 2021-08-02 | | 公開日 | 2022-06-08 | | 最終更新日 | 2023-10-18 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Reaction hijacking of tyrosine tRNA synthetase as a new whole-of-life-cycle antimalarial strategy.
Science, 376, 2022
|
|
5NIO
 | | EthR complex | | 分子名称: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-butyl-4-methyl-piperidine-1-carboxamide | | 著者 | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | | 登録日 | 2017-03-24 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.4 Å) | | 主引用文献 | New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
|
|
5NIZ
 | | EthR complex | | 分子名称: | 1-[3-[5-[(1~{R},2~{R})-2-methylcyclopropyl]furan-2-yl]propanoyl]piperidine-4-carboxamide, HTH-type transcriptional regulator EthR, SULFATE ION | | 著者 | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | | 登録日 | 2017-03-27 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (1.95 Å) | | 主引用文献 | New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
|
|
2XYA
 | | Non-covalent inhibtors of rhinovirus 3C protease. | | 分子名称: | 2-PHENYLQUINOLIN-4-OL, PICORNAIN 3C | | 著者 | Petersen, J, Edman, K, Edfeldt, F, Johansson, C. | | 登録日 | 2010-11-16 | | 公開日 | 2011-04-27 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | | 主引用文献 | Non-Covalent Inhibitors of Rhinovirus 3C Protease.
Bioorg.Med.Chem.Lett., 21, 2011
|
|
6WI6
 | | Crystal structure of plantacyclin B21AG | | 分子名称: | MALONATE ION, Plantacyclin B21AG | | 著者 | Smith, A.T, Gor, M.C, Vezina, B, McMahon, R, King, G, Panjikar, S, Rehm, B, Martin, J. | | 登録日 | 2020-04-08 | | 公開日 | 2021-01-06 | | 最終更新日 | 2024-10-09 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Crystal structure and site-directed mutagenesis of circular bacteriocin plantacyclin B21AG reveals cationic and aromatic residues important for antimicrobial activity.
Sci Rep, 10, 2020
|
|
5N7O
 | | EthR2 in complex with SMARt-420 compound | | 分子名称: | 4,4,4-trifluoro-1-(3-phenyl-1-oxa-2,8-diazaspiro[4.5]dec-2-en-8-yl)butan-1-one, Probable transcriptional regulatory protein | | 著者 | Wohlkonig, A, Wintjens, R. | | 登録日 | 2017-02-21 | | 公開日 | 2017-04-26 | | 最終更新日 | 2024-01-17 | | 実験手法 | X-RAY DIFFRACTION (2.3 Å) | | 主引用文献 | Structural analysis of the interaction between spiroisoxazoline SMARt-420 and the Mycobacterium tuberculosis repressor EthR2.
Biochem. Biophys. Res. Commun., 487, 2017
|
|
5NIM
 | | EthR complex | | 分子名称: | HTH-type transcriptional regulator EthR, SULFATE ION, [1-(2-hydroxyethyl)pyrrolo[3,4-c]pyrazol-5-yl]-(5-propyl-1,2-oxazol-3-yl)methanone | | 著者 | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | | 登録日 | 2017-03-24 | | 公開日 | 2017-11-15 | | 最終更新日 | 2017-12-27 | | 実験手法 | X-RAY DIFFRACTION (1.5 Å) | | 主引用文献 | New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
|
|
5NJ0
 | | EthR complex | | 分子名称: | HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(2~{R})-2-(4-nitrophenyl)-2-oxidanyl-ethyl]-1,3-benzodioxole-5-carboxamide | | 著者 | Pohl, E, Tatum, N.J, Cole, J.C, Baulard, A.R. | | 登録日 | 2017-03-27 | | 公開日 | 2017-11-15 | | 最終更新日 | 2024-05-08 | | 実験手法 | X-RAY DIFFRACTION (2.1 Å) | | 主引用文献 | New active leads for tuberculosis booster drugs by structure-based drug discovery.
Org. Biomol. Chem., 15, 2017
|
|
