7QYH

Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor

This is a non-PDB format compatible entry.

Summary for 7QYH

• Entry DOI: 10.2210/pdb7qyh/pdb
• Descriptor: Plasmepsin II, 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one (2 entities in total)
• Functional Keywords: eukaryotic aspartic protease, malaria, plasmepsin, hydrolase
• Biological source: Plasmodium falciparum 3D7
• Total number of polymer chains: 4
• Total formula weight: 148029.97

Authors

Bobrovs, R.,Jaudzems, K. (deposition date: 2022-01-28, release date: 2022-06-29, Last modification date: 2024-01-31)

• Primary citation: Bobrovs, R.,Basens, E.E.,Drunka, L.,Kanepe, I.,Matisone, S.,Velins, K.K.,Andrianov, V.,Leitis, G.,Zelencova-Gopejenko, D.,Rasina, D.,Jirgensons, A.,Jaudzems, K.; Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials.; J.Chem.Inf.Model., 62:3263-3273, 2022; PubMed: 35712895; DOI: 10.1021/acs.jcim.2c00422

Experimental method

X-RAY DIFFRACTION (3.33 Å)