9BVA

Crystal structure of human CYP3A4 in complex with SJYHJ-106

This is a non-PDB format compatible entry.

Summary for 9BVA

• Entry DOI: 10.2210/pdb9bva/pdb
• Descriptor: Cytochrome P450 3A4, PROTOPORPHYRIN IX CONTAINING FE, N-[2-(2-chloroethyl)phenyl]-N'-[(2P)-2-(1H-imidazol-1-yl)-5-(trifluoromethyl)phenyl]urea (3 entities in total)
• Functional Keywords: cytochrome p450 3a4, cyp3a4, cyp3a4-selective inhibitor, drug metabolizing enzyme, oxidoreductase, oxidoreductase-oxidoreductase inhibitor complex, oxidoreductase/oxidoreductase inhibitor
• Biological source: Homo sapiens (human)
• Total number of polymer chains: 1
• Total formula weight: 56619.93

Authors

Jingheng, W.,Nithianantham, S.,Miller, D.J.,Chen, T. (deposition date: 2024-05-20, release date: 2025-04-16)

• Primary citation: Wang, J.,Nithianantham, S.,Chai, S.C.,Jung, Y.,Yang, L.,Ong, H.W.,Li, Y.,Zhang, Y.,Miller, D.J.,Chen, T.; Crystal structure of human CYP3A4 in complex with SJ000362065; Nat Commun, 2025; DOI: 10.1038/s41467-025-58749-8

Experimental method

X-RAY DIFFRACTION (3.02 Å)