タイトル | 8-Thioalkyl-adenosine derivatives inhibit Listeria monocytogenes NAD kinase through a novel binding mode. |
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ジャーナル・号・ページ | Eur. J. Med. Chem., Vol. 124, Page 1041-1056, Year 2016 |
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掲載日 | 2015年8月31日 (構造データの登録日) |
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著者 | Paoletti, J. / Assairi, L. / Gelin, M. / Huteau, V. / Nahori, M.A. / Dussurget, O. / Labesse, G. / Pochet, S. |
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リンク | Eur. J. Med. Chem. / PubMed:27783975 |
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手法 | X線回折 |
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解像度 | 2.27 - 2.62 Å |
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構造データ | PDB-5dhp: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.27 Å PDB-5dhq: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.29 Å PDB-5dhr: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.31 Å PDB-5dhs: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.62 Å PDB-5dht: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.59 Å PDB-5dhu: Crystal structure of NAD kinase 1 from Listeria monocytogenes in complex with a novel inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.33 Å |
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化合物 | ChemComp-5AQ: 8-({2-oxo-2-[(2-phenylethyl)amino]ethyl}sulfanyl)adenosine
ChemComp-5AK: 8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
ChemComp-5AJ: 5'-azido-8-[(2-{[2-(1H-benzimidazol-2-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
ChemComp-5AG: 5'-azido-5'-deoxy-8-[(2-{[2-(3-ethynylphenyl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
ChemComp-5A9: 5'-azido-8-[(2-{[2-(3-bromophenyl)ethyl]amino}-2-oxoethyl)sulfanyl]-5'-deoxyadenosine
ChemComp-5A8: 5'-azido-5'-deoxy-8-[(2-{[2-(1H-indol-3-yl)ethyl]amino}-2-oxoethyl)sulfanyl]adenosine
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由来 | - listeria monocytogenes serovar 1/2a (strain atcc baa-679 / egd-e) (リステリア・モノサイトゲネス)
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キーワード | TRANSFERASE (転移酵素) / tetrameric NAD kinase |
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