Low molecular weight ligands bind to CYP3A4 via a branched induced fit mechanism: Implications for O binding.
作者信息
Redhair Michelle, Nath Abhinav, Hackett John C, Atkins William M
机构信息
Department of Medicinal Chemistry, Box 357610, University of Washington, Seattle, WA, 98195-7610, USA.
Department of Chemistry & Biochemistry, Florida International University, 11200 SW 8th St., Miami, FL, 33199, USA.
出版信息
Arch Biochem Biophys. 2023 May 1;739:109582. doi: 10.1016/j.abb.2023.109582. Epub 2023 Mar 21.
Abstract
摘要
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2
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4
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