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	Structure-Guided Drug Design of 6-Substituted Adenosine Analogues as Potent Inhibitors of Mycobacterium tuberculosis Adenosine Kinase.
ジャーナル・号・ページ	J. Med. Chem., Vol. 62, Page 4483-4499, Year 2019
掲載日	2018年1月17日 (構造データの登録日)
著者	Crespo, R.A. / Dang, Q. / Zhou, N.E. / Guthrie, L.M. / Snavely, T.C. / Dong, W. / Loesch, K.A. / Suzuki, T. / You, L. / Wang, W. ...Crespo, R.A. / Dang, Q. / Zhou, N.E. / Guthrie, L.M. / Snavely, T.C. / Dong, W. / Loesch, K.A. / Suzuki, T. / You, L. / Wang, W. / O'Malley, T. / Parish, T. / Olsen, D.B. / Sacchettini, J.C.
リンク	J. Med. Chem. / PubMed:31002508
手法	X線回折
解像度	1.7 - 2.23 Å
構造データ	PDB-6c67: Mycobacterium tuberculosis adenosine kinase bound to iodotubercidin 手法: X-RAY DIFFRACTION / 解像度: 2.11 Å PDB-6c9n: Mycobacterium tuberculosis adenosine kinase bound to sangivamycin 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6c9p: Mycobacterium tuberculosis adenosine kinase bound to 6-methylmercaptopurine riboside 手法: X-RAY DIFFRACTION / 解像度: 2.0 Å PDB-6c9q: Mycobacterium tuberculosis adenosine kinase bound to 5'-aminoadenosine 手法: X-RAY DIFFRACTION / 解像度: 1.95 Å PDB-6c9r: Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(thiophen-3-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-6c9s: Mycobacterium tuberculosis adenosine kinase bound to (2R,3R,4S,5R)-2-(6-([1,1'-biphenyl]-4-ylethynyl)-9H-purin-9-yl)-5-(hydroxymethyl)tetrahydrofuran-3,4-diol 手法: X-RAY DIFFRACTION / 解像度: 2.23 Å PDB-6c9v: Mycobacterium tuberculosis adenosine kinase bound to (2R,3S,4R,5R)-2-(hydroxymethyl)-5-(6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl)tetrahydrofuran-3,4-diol 手法: X-RAY DIFFRACTION / 解像度: 1.7 Å
化合物	ChemComp-5ID: (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL / 5-ヨ-ドツベルシジン ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-GOL: GLYCEROL / グリセロ-ル / グリセリン ChemComp-SO4: SULFATE ION / 硫酸ジアニオン / 硫酸塩 ChemComp-HOH: WATER / 水 ChemComp-SGV: SANGIVAMYCIN / サンギバマイシン / 阻害剤YM / Sangivamycin ChemComp-MTP: 2-HYDROXYMETHYL-5-(6-METHYLSULFANYL-PURIN-9-YL)-TETRAHYDRO-FURAN-3,4-DIOL / 6-メチルメルカプトプリンリボシド ChemComp-5N5: 5'-amino-5'-deoxyadenosine / 5′-アミノ-5′-デオキシアデノシン ChemComp-ERJ: 9-beta-D-ribofuranosyl-6-(thiophen-3-yl)-9H-purine ChemComp-ERP: 6-[([1,1'-biphenyl]-4-yl)ethynyl]-9-beta-D-ribofuranosyl-9H-purine ChemComp-ERS*: (2R,3S,4R,5R)-2-(hydroxymethyl)-5-[6-(4-phenylpiperazin-1-yl)-9H-purin-9-yl]tetrahydrofuran-3,4-diol
由来	mycobacterium tuberculosis (strain atcc 25618 / h37rv) (結核菌) mycobacterium tuberculosis (結核菌)
キーワード	TRANSFERASE/TRANSFERASE INHIBITOR / Nucleoside analog / Complex / Inhibitor / Structural Genomics (構造ゲノミクス) / PSI-2 / Protein Structure Initiative / TB Structural Genomics Consortium / TBSGC / TRANSFERASE-TRANSFERASE INHIBITOR complex