タイトル | 2-Carboxyquinoxalines Kill Mycobacterium Tuberculosis Through Noncovalent Inhibition of Dpre1. |
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ジャーナル・号・ページ | Acs Chem. Biol., Vol. 10, Page 705-, Year 2015 |
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掲載日 | 2014年3月31日 (構造データの登録日) |
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著者 | Neres, J. / Hartkoorn, R.C. / Chiarelli, L.R. / Gadupudi, R. / Pasca, M.R. / Mori, G. / Venturelli, A. / Savina, S. / Makarov, V. / Kolly, G.S. ...Neres, J. / Hartkoorn, R.C. / Chiarelli, L.R. / Gadupudi, R. / Pasca, M.R. / Mori, G. / Venturelli, A. / Savina, S. / Makarov, V. / Kolly, G.S. / Molteni, E. / Binda, C. / Dhar, N. / Ferrari, S. / Brodin, P. / Delorme, V. / Landry, V. / De Jesus Lopes Ribeiro, A.L. / Farina, D. / Saxena, P. / Pojer, F. / Carta, A. / Luciani, R. / Porta, A. / Zanoni, G. / De Rossi, E. / Costi, M.P. / Riccardi, G. / Cole, S.T. |
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リンク | Acs Chem. Biol. / PubMed:25427196 |
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手法 | X線回折 |
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解像度 | 1.79 - 2.55 Å |
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構造データ | PDB-4cvy: Crystal structure of the M. tuberculosis sulfate ester dioxygenase Rv3406 in complex with iron. 手法: X-RAY DIFFRACTION / 解像度: 2 Å PDB-4p8c: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-4p8k: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty38c 手法: X-RAY DIFFRACTION / 解像度: 2.49 Å PDB-4p8l: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty36c 手法: X-RAY DIFFRACTION / 解像度: 2.02 Å PDB-4p8m: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN114 手法: X-RAY DIFFRACTION / 解像度: 2.09 Å PDB-4p8n: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN118 手法: X-RAY DIFFRACTION / 解像度: 1.79 Å PDB-4p8p: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN127 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-4p8t: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor QN129 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-4p8y: Crystal structure of M. tuberculosis DprE1 in complex with the non-covalent inhibitor Ty21c 手法: X-RAY DIFFRACTION / 解像度: 2.01 Å |
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化合物 | ChemComp-Y22: 6-(trifluoromethyl)-3-{[4-(trifluoromethyl)benzyl]amino}quinoxaline-2-carboxylic acid
ChemComp-2J3: (2R)-2-{[(2R)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propan-1-ol
ChemComp-38C: 3-[(4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
ChemComp-36C: 3-[(4-fluorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
ChemComp-R58: 3-[(4-ethoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
ChemComp-R57: 3-[(3-fluoro-4-methoxybenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
ChemComp-RG2: 3-[(4-chlorobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
ChemComp-R26: 3-[(4-cyanobenzyl)amino]-6-(trifluoromethyl)quinoxaline-2-carboxylic acid
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由来 | - mycobacterium tuberculosis (結核菌)
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キーワード | OXIDOREDUCTASE / DRUG DESIGN / DIOXYGENASE / DPRE1 / MYCOBACTERIAL ENZYMES / OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / inhibitor / complex / non-covalent / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex |
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