| タイトル | Systematic exploration of the hydrophobic capacity of the EthR binding site for lead compound optimization |
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| ジャーナル・号・ページ | To Be Published |
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| 掲載日 | 2021年2月9日 (構造データの登録日) |
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著者 | Tatum, N.J. / Tomlinson, C.W.E. / Frita, R. / Bennett, R. / Baulard, A.R. / Pohl, E. / Kitching, M.O. |
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リンク | PubMedで検索 |
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| 手法 | X線回折 |
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| 解像度 | 1.17 - 2.5 Å |
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| 構造データ | PDB-7ngd: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.47 Å PDB-7ngg: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.17 Å PDB-7ngi: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å PDB-7ngj: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-7ngk: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å PDB-7ngm: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.76 Å PDB-7ngn: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.55 Å PDB-7ngo: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 2.37 Å PDB-7ngr: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.92 Å PDB-7ngs: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-7ngt: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 2.49 Å PDB-7ngu: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-7ngw: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.26 Å PDB-7ngx: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.24 Å PDB-7ngy: Mycobacterium tuberculosis transcriptional regulator EthR with bound inhibitory compound 手法: X-RAY DIFFRACTION / 解像度: 1.27 Å |
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| 化合物 | ChemComp-UAB: 4-methyl-~{N}-(4-phenylbutyl)piperidine-1-carboxamide
ChemComp-U9W: ~{N}-(4-chlorophenyl)-4-methyl-piperidine-1-carboxamide
ChemComp-U9T: ~{N}-[2-(2-fluorophenyl)ethyl]-4-methyl-piperidine-1-carboxamide
ChemComp-UAT: 4-methyl-~{N}-(phenylmethyl)piperidine-1-carboxamide
ChemComp-UAE: ~{N}-cyclohexyl-4-methyl-piperidine-1-carboxamide
ChemComp-UAK: 4-methyl-~{N}-[(1~{R})-1-phenylethyl]piperidine-1-carboxamide
ChemComp-UA8: ~{N}-cycloheptyl-4-methyl-piperidine-1-carboxamide
ChemComp-UAQ: ~{N}-(furan-2-ylmethyl)-4-methyl-piperidine-1-carboxamide
ChemComp-U9Z: 4-methyl-~{N}-[4-(trifluoromethyl)phenyl]piperidine-1-carboxamide
ChemComp-UB5: 4-methyl-~{N}-pentyl-piperidine-1-carboxamide
ChemComp-8YH: ~{N}-butyl-4-methyl-piperidine-1-carboxamide
ChemComp-UAZ: ~{N}-(4-methoxyphenyl)-4-methyl-piperidine-1-carboxamide
ChemComp-UAW: ~{N}-(4-hydroxyphenyl)-4-methyl-piperidine-1-carboxamide
ChemComp-UBQ: 4-methyl-~{N}-undecyl-pyridine-1-carboxamide
ChemComp-UBN: 4-methyl-~{N}-[(~{E})-oct-5-enyl]piperidine-1-carboxamide
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| 由来 |  mycobacterium tuberculosis (結核菌)
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キーワード | TRANSCRIPTION / ETHR / Tuberculosis / Inhibition |
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