3SFI
Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.
3SFI の概要
エントリーDOI | 10.2210/pdb3sfi/pdb |
関連するPDBエントリー | 1U9N 3G1L 3G1M 3O8G 3O8H |
分子名称 | Transcriptional regulatory repressor protein (TETR-family), 5,5,5-trifluoro-1-{4-[3-(1,3-thiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl}pentan-1-one (3 entities in total) |
機能のキーワード | tetr-family, transcritptional regulatory repressor, inhibitor, dna, dna binding protein, transcription repressor-inhibitor complex, transcription repressor/inhibitor |
由来する生物種 | Mycobacterium tuberculosis |
タンパク質・核酸の鎖数 | 1 |
化学式量合計 | 26327.46 |
構造登録者 | Flipo, M.,Desroses, M.,Lecat-Guillet, N.,Villemagne, B.,Blondiaux, N.,Leroux, F.,Piveteau, C.,Mathys, V.,Flament, M.P.,Siepmann, J.,Villeret, V.,Wohlkonig, A.,Wintjens, R.,Soror, S.H.,Christophe, T.,Jeon, H.K.,Locht, C.,Brodin, P.,D prez, B.,Baulard, A.R.,Willand, N. (登録日: 2011-06-13, 公開日: 2011-12-07, 最終更新日: 2023-09-13) |
主引用文献 | Flipo, M.,Desroses, M.,Lecat-Guillet, N.,Villemagne, B.,Blondiaux, N.,Leroux, F.,Piveteau, C.,Mathys, V.,Flament, M.P.,Siepmann, J.,Villeret, V.,Wohlkonig, A.,Wintjens, R.,Soror, S.H.,Christophe, T.,Jeon, H.K.,Locht, C.,Brodin, P.,Deprez, B.,Baulard, A.R.,Willand, N. Ethionamide Boosters. 2. Combining Bioisosteric Replacement and Structure-Based Drug Design To Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors. J.Med.Chem., 55:68-83, 2012 Cited by PubMed: 22098589DOI: 10.1021/jm200825u 主引用文献が同じPDBエントリー |
実験手法 | X-RAY DIFFRACTION (2.31 Å) |
構造検証レポート
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