タイトル | Structure-Guided Optimization of Inhibitors of Acetyltransferase Eis fromMycobacterium tuberculosis. |
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ジャーナル・号・ページ | Acs Chem. Biol., Vol. 15, Page 1581-1594, Year 2020 |
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掲載日 | 2020年2月16日 (構造データの登録日) |
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著者 | Punetha, A. / Ngo, H.X. / Holbrook, S.Y.L. / Green, K.D. / Willby, M.J. / Bonnett, S.A. / Krieger, K. / Dennis, E.K. / Posey, J.E. / Parish, T. ...Punetha, A. / Ngo, H.X. / Holbrook, S.Y.L. / Green, K.D. / Willby, M.J. / Bonnett, S.A. / Krieger, K. / Dennis, E.K. / Posey, J.E. / Parish, T. / Tsodikov, O.V. / Garneau-Tsodikova, S. |
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リンク | Acs Chem. Biol. / PubMed:32421305 |
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手法 | X線回折 |
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解像度 | 1.97 - 3 Å |
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構造データ | PDB-6vur: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT366 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-6vus: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT379 手法: X-RAY DIFFRACTION / 解像度: 2.28 Å PDB-6vut: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT392 手法: X-RAY DIFFRACTION / 解像度: 2.73 Å PDB-6vuu: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1347 手法: X-RAY DIFFRACTION / 解像度: 2.6 Å PDB-6vuw: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT368 手法: X-RAY DIFFRACTION / 解像度: 2.87 Å PDB-6vux: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT388 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-6vuy: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT358 手法: X-RAY DIFFRACTION / 解像度: 2.7 Å PDB-6vuz: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT353 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-6vv0: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1354 手法: X-RAY DIFFRACTION / 解像度: 3 Å PDB-6vv1: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT384 手法: X-RAY DIFFRACTION / 解像度: 2.45 Å PDB-6vv2: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1348 手法: X-RAY DIFFRACTION / 解像度: 2.95 Å PDB-6vv3: Crystal structure of Eis from Mycobacterium tuberculosis in complex with inhibitor SGT1358 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å |
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化合物 | ChemComp-ROG: 2-({[(3S)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
ChemComp-RNV: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
ChemComp-RN7: 2-[(4-amino-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(morpholin-4-yl)ethyl]acetamide
ChemComp-RNJ: (7S)-7-methyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-7,8-dihydro[1]benzothieno[2,3-d]pyrimidin-4-amine
ChemComp-RNM: (7R)-7-methyl-2-({[(3R)-1-methylpiperidin-3-yl]methyl}sulfanyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
ChemComp-H66: 2-{[(7S)-4-amino-7-ethyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}-N-[2-(piperidin-1-yl)ethyl]acetamide
ChemComp-RN4: (7S)-7-phenyl-2-{[3-(piperidin-1-yl)propyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
ChemComp-RMS: 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-amine
ChemComp-RMV: 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(diethylamino)ethyl]acetamide
ChemComp-RMJ: 2-[(4-amino-6,7-dihydro-5H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
ChemComp-RMG: 2-{[3-(piperidin-1-yl)propyl]sulfanyl}-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-4-amine
ChemComp-RM7: 2-[(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-[2-(piperidin-1-yl)ethyl]acetamide
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由来 | mycobacterium tuberculosis (strain atcc 25618 / h37rv) (結核菌)
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キーワード | TRANSFERASE/TRANSFERASE INHIBITOR / Acetyltransferase / Resistance / Aminoglycoside / Competitive / TRANSFERASE / TRANSFERASE-TRANSFERASE INHIBITOR complex / Kanamycin |
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