タイトル | Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors. |
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ジャーナル・号・ページ | J. Med. Chem., Vol. 66, Page 6652-6681, Year 2023 |
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掲載日 | 2022年5月7日 (構造データの登録日) |
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著者 | Skacel, J. / Djukic, S. / Baszczynski, O. / Kalcic, F. / Bilek, T. / Chalupsky, K. / Kozak, J. / Dvorakova, A. / Tloust'ova, E. / Kral'ova, Z. ...Skacel, J. / Djukic, S. / Baszczynski, O. / Kalcic, F. / Bilek, T. / Chalupsky, K. / Kozak, J. / Dvorakova, A. / Tloust'ova, E. / Kral'ova, Z. / Smidkova, M. / Voldrich, J. / Rumlova, M. / Pachl, P. / Brynda, J. / Vuckova, T. / Fabry, M. / Snasel, J. / Pichova, I. / Rezacova, P. / Mertlikova-Kaiserova, H. / Janeba, Z. |
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リンク | J. Med. Chem. / PubMed:37134237 |
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手法 | X線回折 |
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解像度 | 1.56 - 2.65 Å |
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構造データ | PDB-7zsl: human purine nucleoside phosphorylase in complex with JS-196 手法: X-RAY DIFFRACTION / 解像度: 1.8 Å PDB-7zsm: human purine nucleoside phosphorylase in complex with JS-375 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-7zsn: human purine nucleoside phosphorylase in complex with JS-379 手法: X-RAY DIFFRACTION / 解像度: 2.36 Å PDB-7zso: human purine nucleoside phosphorylase in complex with JS-554 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-7zsp: human purine nucleoside phosphorylase in complex with JS-555 手法: X-RAY DIFFRACTION / 解像度: 2.29 Å PDB-7zsq: human purine nucleoside phosphorylase in complex with JS-555 手法: X-RAY DIFFRACTION / 解像度: 1.77 Å PDB-7zsr: purine nucleoside phosphorylase in complex with JS-379 手法: X-RAY DIFFRACTION / 解像度: 1.97 Å PDB-8c25: purine nucleoside phosphorylase in complex with JS-375 手法: X-RAY DIFFRACTION / 解像度: 1.56 Å |
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化合物 | ChemComp-JTO: [2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid
ChemComp-JU9: [(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
ChemComp-JSI: [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid
ChemComp-JTC: [(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-5-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
ChemComp-JT3: [(~{E})-2-[2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]-6-[2,3,4,5,6-pentakis(fluoranyl)phenoxy]phenyl]ethenyl]phosphonic acid
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由来 | - homo sapiens (ヒト)
- mycobacterium tuberculosis (結核菌)
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キーワード | TRANSFERASE / PNP-inhibitor complex |
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