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	Flexible diaminodihydrotriazine inhibitors of Plasmodium falciparum dihydrofolate reductase: Binding strengths, modes of binding and their antimalarial activities.
ジャーナル・号・ページ	Eur. J. Med. Chem., Vol. 195, Page 112263-112263, Year 2020
掲載日	2019年11月27日 (構造データの登録日)
著者	Kamchonwongpaisan, S. / Charoensetakul, N. / Srisuwannaket, C. / Taweechai, S. / Rattanajak, R. / Vanichtanankul, J. / Vitsupakorn, D. / Arwon, U. / Thongpanchang, C. / Tarnchompoo, B. ...Kamchonwongpaisan, S. / Charoensetakul, N. / Srisuwannaket, C. / Taweechai, S. / Rattanajak, R. / Vanichtanankul, J. / Vitsupakorn, D. / Arwon, U. / Thongpanchang, C. / Tarnchompoo, B. / Vilaivan, T. / Yuthavong, Y.
リンク	Eur. J. Med. Chem. / PubMed:32294614
手法	X線回折
解像度	2.4 - 2.644 Å
構造データ	PDB-6leu: Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 42 and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.59 Å PDB-6lev: Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.644 Å PDB-6lez: Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.644 Å PDB-6lh9: Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with compound 46 and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.644 Å PDB-6lhi: Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C466 (compound 42) and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.59 Å PDB-6lhj: Quadruple mutant (N51I+C59R+S108N+I164L) plasmodium falciparum dihydrofolate reductase-thymidylate synthase (PfDHFR-TS) complexed with C452 (compound 16) and NADPH 手法: X-RAY DIFFRACTION / 解像度: 2.4 Å
化合物	ChemComp-UMP: 2'-DEOXYURIDINE 5'-MONOPHOSPHATE / dUMP ChemComp-NDP: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / NADPH ChemComp-E9X: 1-[3-[(4-chlorophenyl)-(phenylmethyl)amino]propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine ChemComp-HOH: WATER ChemComp-EA0: 2-[[4,6-bis(azanyl)-2,2-dimethyl-1,3,5-triazin-1-yl]oxy]-N-(4-chlorophenyl)ethanamide ChemComp-PO4: PHOSPHATE ION / ホスファ-ト ChemComp-MET: METHIONINE / メチオニン ChemComp-EA6: 1-[3-(2-chloranyl-4-fluoranyl-phenoxy)propoxy]-6,6-dimethyl-1,3,5-triazine-2,4-diamine ChemComp-GOL: GLYCEROL / グリセロ-ル
由来	plasmodium falciparum (マラリア病原虫)
キーワード	OXIDOREDUCTASE / Inhinitor / antifolate / dyhydrofolate reductase / plasmodium falciparum / ANTIBIOTIC