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PDB: 6 件

5NIO
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BU of 5nio by Molmil
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
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BU of 5niz by Molmil
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
5NIM
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BU of 5nim by Molmil
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
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BU of 5nj0 by Molmil
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
6R1P
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BU of 6r1p by Molmil
EthR ligand complex
分子名称: 2-[2-[4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,3-triazol-1-yl]ethyl]-6-methyl-1~{H}-pyrimidin-4-one, HTH-type transcriptional regulator EthR
著者Pohl, E, Tatum, N.
登録日2019-03-14
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019
6R1S
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BU of 6r1s by Molmil
EthR ligand complex
分子名称: 2-(3-methylphenyl)-~{N}-[[2-(oxan-4-yl)-7-oxidanyl-pyrazolo[1,5-a]pyrimidin-5-yl]methyl]ethanamide, HTH-type transcriptional regulator EthR
著者Pohl, E, Tatum, N.
登録日2019-03-14
公開日2020-02-19
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Relative Binding Energies Predict Crystallographic Binding Modes of Ethionamide Booster Lead Compounds.
J Phys Chem Lett, 10, 2019

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件を2024-09-11に公開中

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