4NY4

Crystal structure of CYP3A4 in complex with an inhibitor

4NY4 の概要

• エントリーDOI: 10.2210/pdb4ny4/pdb
• 関連するPDBエントリー: 4NZ2
• 分子名称: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, (8R)-3,3-difluoro-8-[4-fluoro-3-(pyridin-3-yl)phenyl]-8-(4-methoxy-3-methylphenyl)-2,3,4,8-tetrahydroimidazo[1,5-a]pyrimidin-6-amine (3 entities in total)
• 機能のキーワード: cytochrome p-450, cyp3a4, inhibitor, structure-based drug design, drug metabolism, monooxygenase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Endoplasmic reticulum membrane; Single-pass membrane protein: P08684
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 56432.25

構造登録者

Branden, G.,Sjogren, T.,Xue, Y. (登録日: 2013-12-10, 公開日: 2014-08-13, 最終更新日: 2024-02-28)

• 主引用文献: Branden, G.,Sjogren, T.,Schnecke, V.,Xue, Y.; Structure-based ligand design to overcome CYP inhibition in drug discovery projects.; Drug Discov Today, 19:905-911, 2014; PubMed: 24642031; DOI: 10.1016/j.drudis.2014.03.012

実験手法

X-RAY DIFFRACTION (2.95 Å)