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6HO9
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TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44825
分子名称: 4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide, 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 (1.8 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
6HS0
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EthR2 in complex with compound 5 (BDM71847)
分子名称: 1-[(3-chlorophenyl)methyl]piperazine, 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 (1.45 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
6HO8
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TRANSCRIPTIONAL REPRESSOR ETHR FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH BDM44815
分子名称: HTH-type transcriptional regulator EthR, ~{N}-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide
著者Wintjens, R, Wohlkonig, A.
登録日2018-09-17
公開日2018-12-26
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (1.98 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
3TP3
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Structure of HTH-type transcriptional regulator EthR, G106W mutant
分子名称: HTH-type transcriptional regulator EthR
著者Carette, X.
登録日2011-09-07
公開日2011-12-21
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural activation of the transcriptional repressor EthR from Mycobacterium tuberculosis by single amino acid change mimicking natural and synthetic ligands.
Nucleic Acids Res., 40, 2011
5EYR
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 5 at 1.57A resolution
分子名称: 3-[1-[4-(methylaminomethyl)phenyl]piperidin-4-yl]-1-pyrrolidin-1-yl-propan-1-one, EthR
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-25
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5EZG
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 22 at 1.84A resolution
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyrimidin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-26
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F08
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 14 at 1.92A resolution
分子名称: HTH-type transcriptional regulator EthR, ~{tert}-butyl ~{N}-methyl-~{N}-[[4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]phenyl]methyl]carbamate
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.92 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F0H
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 28 at 1.99A resolution
分子名称: 3-[1-(4-cyanophenyl)piperidin-4-yl]-~{N}-[(4-piperidin-1-ylphenyl)methyl]propanamide, HTH-type transcriptional regulator EthR
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F1J
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 1 at 1.63A resolution
分子名称: 3-cyclopentyl-1-pyrrolidin-1-yl-propan-1-one, HTH-type transcriptional regulator EthR
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-30
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.631 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F0C
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium tuberculosis in complex with compound 4 at 1.87A resolution
分子名称: 3-cyclopentyl-~{N}-(3-piperidin-1-ylphenyl)propanamide, HTH-type transcriptional regulator EthR, SULFATE ION
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5EZH
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 21 at 1.7A resolution
分子名称: HTH-type transcriptional regulator EthR, SULFATE ION, ~{N}-[(1-pyridin-2-ylpiperidin-4-yl)methyl]pyrrolidine-1-carboxamide
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-26
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F0F
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 15 at 1.76A resolution
分子名称: 4-[4-(3-oxidanylidene-3-pyrrolidin-1-yl-propyl)piperidin-1-yl]benzenecarbonitrile, HTH-type transcriptional regulator EthR, SULFATE ION
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F27
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 2 at 1.68A resolution
分子名称: HTH-type transcriptional regulator EthR, ~{N}-methyl-1-(4-piperidin-1-ylphenyl)methanamine
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-12-01
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.684 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
5F04
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Structure of Transcriptional Regulatory Repressor Protein - EthR from Mycobacterium Tuberculosis in complex with compound 3 at 1.84A resolution
分子名称: 1,2-ETHANEDIOL, 3-cyclopentyl-1-[3-[4-(methylaminomethyl)phenyl]-1,3-diazinan-1-yl]propan-1-one, GLYCEROL, ...
著者Surade, S, Blaszczyk, M, Nikiforov, P.O, Abell, C, Blundell, T.L.
登録日2015-11-27
公開日2016-02-03
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
Org.Biomol.Chem., 14, 2016
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