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-Activity Relationships of Rationally Designed Ritonavir Analogues: Impact of Side-Group Stereochemistry, Headgroup Spacing, and Backbone Composition on the Interaction with CYP3A4.
ジャーナル・号・ページ	Biochemistry, Vol. 58, Page 2077-2087, Year 2019
掲載日	2018年5月1日 (構造データの登録日)
著者	Samuels, E.R. / Sevrioukova, I.
リンク	Biochemistry / PubMed:30912932
手法	X線回折
解像度	2.15 - 2.802 Å
構造データ	PDB-6da2: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å PDB-6da3: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.37 Å PDB-6da5: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.25 Å PDB-6da8: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.802 Å PDB-6daa: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.15 Å PDB-6dab: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.35 Å PDB-6dac: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.55 Å PDB-6dag: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.8 Å PDB-6daj: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.45 Å PDB-6dal: Human CYP3A4 bound to an inhibitor 手法: X-RAY DIFFRACTION / 解像度: 2.65 Å
化合物	ChemComp-HEM: PROTOPORPHYRIN IX CONTAINING FE ChemComp-GOL: GLYCEROL / グリセロ-ル ChemComp-G0D: tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate ChemComp-HOH: WATER ChemComp-G1J: tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate ChemComp-G0J: Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[(pyridin-3-yl)methyl]-D-phenylalaninamide ChemComp-G0M: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[(pyridin-3-yl)methyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate ChemComp-G0V: tert-butyl [(2R)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate ChemComp-FZV: tert-butyl [(2S)-1-{[(2R)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate ChemComp-G0Y: tert-butyl [(2R)-1-{[(2S)-1-oxo-3-phenyl-1-{[2-(pyridin-3-yl)ethyl]amino}propan-2-yl]sulfanyl}-3-phenylpropan-2-yl]carbamate ChemComp-GLN: GLUTAMINE / グルタミン ChemComp-G1D: Nalpha-{(2S)-2-[(tert-butoxycarbonyl)amino]-3-phenylpropyl}-N-[2-(pyridin-3-yl)ethyl]-D-phenylalaninamide
由来	homo sapiens (ヒト)
キーワード	OXIDOREDUCTASE/OXIDOREDUCTASE INHIBITOR / OXIDOREDUCTASE / OXIDOREDUCTASE-OXIDOREDUCTASE INHIBITOR complex