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-Based Evaluation of Non-nucleoside Inhibitors with Improved Potency and Solubility That Target HIV Reverse Transcriptase Variants.
ジャーナル・号・ページ	J. Med. Chem., Vol. 58, Page 2737-2745, Year 2015
掲載日	2014年12月1日 (構造データの登録日)
著者	Frey, K.M. / Puleo, D.E. / Spasov, K.A. / Bollini, M. / Jorgensen, W.L. / Anderson, K.S.
リンク	J. Med. Chem. / PubMed:25700160
手法	X線回折
解像度	2.631 - 3.014 Å
構造データ	PDB-4rw4: Crystal Structure of HIV-1 Reverse Transcriptase (K103N,Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.674 Å PDB-4rw6: Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(4-chloro-2-(2-(2,4-dioxo-3,4- dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ494), a Non-nucleoside Inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.631 Å PDB-4rw7: Crystal Structure of HIV-1 Reverse Transcriptase (K103N, Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor 手法: X-RAY DIFFRACTION / 解像度: 3.014 Å PDB-4rw8: Crystal Structure of HIV-1 Reverse Transcriptase in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor' 手法: X-RAY DIFFRACTION / 解像度: 2.878 Å PDB-4rw9: Crystal Structure of HIV-1 Reverse Transcriptase (Y181C) variant in complex with (E)-3-(3-chloro-5-(2-(2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy)phenoxy)phenyl)acrylonitrile (JLJ532), a non-nucleoside inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.986 Å
化合物	ChemComp-494: (2E)-3-(3-chloro-5-{4-chloro-2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile ChemComp-HOH: WATER ChemComp-3X6: (2E)-3-(3-chloro-5-{2-[2-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)ethoxy]phenoxy}phenyl)prop-2-enenitrile / 3-[3-クロロ-5-[2-[2-(2,4-ジオキソ-1,2,3,4-テトラヒドロピリミジン-1-イル)エトキシ]フェ(以下略)
由来	human immunodeficiency virus type 1 bh10 (ヒト免疫不全ウイルス)
キーワード	Hydrolase/hydrolase Inhibitor / polymerase / transferase / hydrolase / RnaseH / Hydrolase-hydrolase Inhibitor complex