Secondary binding site of CYP17A1 in enhanced sampling simulations - structures data
收藏DataCite Commons2024-09-27 更新2025-04-16 收录
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https://repod.icm.edu.pl/citation?persistentId=doi:10.18150/WHDRYW
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资源简介：
Protein Data Bank (PDB) files of orteronel enantiomers in the CYP17A1 secondary binding site.Files contain Central frame of the main cluster corresponding to the free energy minimum on the free energy landscape of (R)-orteronel and (S)-orteronel binding.The aim of the study was to explore the putative secondary binding site of CYP17A1 protein and identify the most favorable binding mode of the ligand. The results point to the utility of the probed site for the drug design.
提供机构：
RepOD
创建时间：
2024-09-20
