EMDB/PDB/SASBDBから引用されている文献のデータベース

キーワード
構造解析手法	All X線回折 NMR 電子顕微鏡小角散乱中性子線回折線維回折粉末回折赤外分光 EPR FRET 理論モデルハイブリッド
著者・登録者
ジャーナル
IF	>30 >20 >10 >5 all

タイトル	Design, Synthesis, Biological Evaluation, and Crystallographic Study of Novel Purine Nucleoside Phosphorylase Inhibitors.
ジャーナル・号・ページ	J. Med. Chem., Vol. 66, Page 6652-6681, Year 2023
掲載日	2022年5月7日 (構造データの登録日)
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.
リンク	J. Med. Chem. / PubMed:37134237
手法	X線回折
解像度	1.56 - 2.65 Å
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
化合物	ChemComp-JTO: [2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenoxy]methylphosphonic acid ChemComp-EDO: 1,2-ETHANEDIOL / エチレングリコ-ル ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-PEG: DI(HYDROXYETHYL)ETHER / ジエチレングリコ-ル ChemComp-HOH: WATER ChemComp-JU9: [(~{E})-2-[4-methoxy-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid ChemComp-CL: Unknown entry / クロリド ChemComp-JSI: [(~{E})-2-[5-bromanyl-2-[(4-oxidanylidene-3,5-dihydropyrrolo[3,2-d]pyrimidin-7-yl)sulfanyl]phenyl]ethenyl]phosphonic acid ChemComp-TEW: 6-tungstotellurate(VI) 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-GOL: GLYCEROL / グリセロ-ル ChemComp-NA: Unknown entry / ナトリウムカチオン 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 ChemComp-P4K: polyethylene glycol ChemComp-ACT: ACETATE ION / 酢酸イオン
由来	homo sapiens (ヒト) mycobacterium tuberculosis (結核菌)
キーワード	TRANSFERASE / PNP-inhibitor complex