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	Drugging the Folate Pathway in Mycobacterium tuberculosis: The Role of Multi-targeting Agents.
ジャーナル・号・ページ	Cell Chem Biol, Vol. 26, Page 781-791.e6, Year 2019
掲載日	2018年5月10日 (構造データの登録日)
著者	Hajian, B. / Scocchera, E. / Shoen, C. / Krucinska, J. / Viswanathan, K. / G-Dayanandan, N. / Erlandsen, H. / Estrada, A. / Mikusova, K. / Kordulakova, J. ...Hajian, B. / Scocchera, E. / Shoen, C. / Krucinska, J. / Viswanathan, K. / G-Dayanandan, N. / Erlandsen, H. / Estrada, A. / Mikusova, K. / Kordulakova, J. / Cynamon, M. / Wright, D.
リンク	Cell Chem Biol / PubMed:30930162
手法	X線回折
解像度	1.4 - 2.411 Å
構造データ	PDB-6ddp: Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid 手法: X-RAY DIFFRACTION / 解像度: 1.49 Å PDB-6dds: Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid 手法: X-RAY DIFFRACTION / 解像度: 1.72 Å PDB-6ddw: Mycobacterium tuberculosis Dihydrofolate Reductase complexed with beta-NADPH and N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid 手法: X-RAY DIFFRACTION / 解像度: 1.4 Å PDB-6de4: Homo sapiens dihydrofolate reductase complexed with beta-NADPH and 3'-[(2R)-4-(2,4-diamino-6-ethylphenyl)but-3-yn-2-yl]-5'-methoxy-[1,1'-biphenyl]-4-carboxylic acid 手法: X-RAY DIFFRACTION / 解像度: 2.411 Å PDB-6de5: Mycobacterium tuberculosis Rv2671 complexed with beta-NADPH and 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine 手法: X-RAY DIFFRACTION / 解像度: 2.3 Å
化合物	ChemComp-NDP: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / NADPH ChemComp-G6Y: 3'-[(2R)-4-(2,4-diamino-6-ethylpyrimidin-5-yl)but-3-yn-2-yl]-5'-methoxy[1,1'-biphenyl]-4-carboxylic acid ChemComp-HOH: WATER ChemComp-U75: 4-[3-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]prop-2-ynyl]-5-methoxy-phenyl]benzoic acid ChemComp-ACT: ACETATE ION / 酢酸イオン ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-G7D: N-(4-{[(2-amino-4-oxo-3,4-dihydropteridin-6-yl)methyl]amino}-2-hydroxybenzene-1-carbonyl)-L-glutamic acid ChemComp-SO4: SULFATE ION / 硫酸ジアニオン ChemComp-CL: Unknown entry / クロリド ChemComp-EOH: ETHANOL / エタノ-ル ChemComp-CA: Unknown entry / カルシウムジカチオン ChemComp-G8J: 6-ethyl-5-{(3S)-3-[2-methoxy-5-(pyridin-4-yl)phenyl]but-1-yn-1-yl}pyrimidine-2,4-diamine
由来	mycobacterium tuberculosis (strain atcc 25618 / h37rv) (結核菌) homo sapiens (ヒト)
キーワード	oxidoreductase/oxidoreductase inhibitor / DHFR / antifolate / oxidoreductase-oxidoreductase inhibitor complex / Antifolates