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	Dihydroquinazolines as a Novel Class of Trypanosoma Brucei Trypanothione Reductase Inhibitors: Discovery, Synthesis, and Characterization of Their Binding Mode by Protein Crystallography.
ジャーナル・号・ページ	J. Med. Chem., Vol. 54, Page 6514-, Year 2011
掲載日	2009年7月24日 (構造データの登録日)
著者	Patterson, S. / Alphey, M.S. / Jones, D.C. / Shanks, E.J. / Street, I.P. / Frearson, J.A. / Wyatt, P.G. / Gilbert, I.H. / Fairlamb, A.H.
リンク	J. Med. Chem. / PubMed:21851087
手法	X線回折
解像度	1.9 - 2.8 Å
構造データ	PDB-2woi: Trypanothione reductase from Trypanosoma brucei 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2wov: Trypanosoma brucei trypanothione reductase with bound NADP. 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-2wow: Trypanosoma brucei trypanothione reductase with NADP and trypanothione bound 手法: X-RAY DIFFRACTION / 解像度: 2.2 Å PDB-2wp5: Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00065414) 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-2wp6: Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00071494) 手法: X-RAY DIFFRACTION / 解像度: 2.5 Å PDB-2wpc: Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073357) 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2wpe: Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00073359) 手法: X-RAY DIFFRACTION / 解像度: 2.1 Å PDB-2wpf: Trypanosoma brucei trypanothione reductase in complex with 3,4- dihydroquinazoline inhibitor (DDD00085762) 手法: X-RAY DIFFRACTION / 解像度: 1.9 Å
化合物	ChemComp-FAD: FLAVIN-ADENINE DINUCLEOTIDE / FAD / FADYM ChemComp-CL: Unknown entry / クロリド ChemComp-NA: Unknown entry / ナトリウムカチオン ChemComp-HOH: WATER ChemComp-NDP: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE / NADPH ChemComp-GCG: BIS(GAMMA-GLUTAMYL-CYSTEINYL-GLYCINYL)SPERMIDINE / N¹,N⁸-ビス(グルタチオニル)スペルミジン ChemComp-WP5: METHYL [(4S)-6-BROMO-2-METHYL-4-PHENYLQUINAZOLIN-3(4H)-YL]ACETATE ChemComp-MRD: (4R)-2-METHYLPENTANE-2,4-DIOL / (4R)-2-メチル-2,4-ペンタンジオ-ル / 沈殿剤YM ChemComp-MPD: (4S)-2-METHYL-2,4-PENTANEDIOL / (S)-2-メチル-2,4-ペンタンジオ-ル / 沈殿剤YM ChemComp-WP6: (4S)-3-BENZYL-6-CHLORO-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE ChemComp-WP7: (4S)-6-CHLORO-3-{2-[4-(FURAN-2-YLCARBONYL)PIPERAZIN-1-YL]ETHYL}-2-METHYL-4-PHENYL-3,4-DIHYDROQUINAZOLINE ChemComp-WPE: N-{2-[(4S)-6-CHLORO-2-METHYL-4-PHENYLQUINAZOLIN-3(4H)-YL]ETHYL}FURAN-2-CARBOXAMIDE ChemComp-WPF: 3-[(4S)-6-CHLORO-2-METHYL-4-(4-METHYLPHENYL)QUINAZOLIN-3(4H)-YL]-N,N-DIMETHYLPROPAN-1-AMINE ChemComp-BR*: BROMIDE ION / ブロミド
由来	trypanosoma brucei (トリパノソーマ)
キーワード	OXIDOREDUCTASE / TRYPANOSOMIASIS / SLEEPING SICKNESS / FLAVOPROTEIN / TRYPANOTHIONE / FAD / NADP / REDUCTASE / REDOX-ACTIVE CENTER / DISULFIDE BOND / TRYPANOSOMA