Evaluating the correlation of binding affinities between isothermal titration calorimetry and fragment molecular orbital method of estrogen receptor beta with diarylpropionitrile (DPN) or DPN derivatives.
PDB-7xvy: Human Estrogen Receptor beta Ligand-binding Domain in Complex with S-DPN 手法: X-RAY DIFFRACTION / 解像度: 1.544 Å
PDB-7xvz: Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile 手法: X-RAY DIFFRACTION / 解像度: 2.08 Å
PDB-7xwp: Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-3-(2-chloro-4-hydroxyphenyl)-2-(4-hydroxyphenyl)propanenitrile 手法: X-RAY DIFFRACTION / 解像度: 1.919 Å
PDB-7xwq: Human Estrogen Receptor beta Ligand-binding Domain in Complex with (R)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile 手法: X-RAY DIFFRACTION / 解像度: 1.89 Å
PDB-7xwr: Human Estrogen Receptor beta Ligand-binding Domain in Complex with (S)-2-(2-chloro-4-hydroxyphenyl)-3-(4-hydroxyphenyl)propanenitrile 手法: X-RAY DIFFRACTION / 解像度: 2.164 Å