7WNX

Cryo-EM structure of Mycobacterium smegmatis MmpL3 complexed with ST004 in lipid nanodiscs

Summary for 7WNX

• Entry DOI: 10.2210/pdb7wnx/pdb
• EMDB information: 32634
• Descriptor: Trehalose monomycolate exporter MmpL3, N-[2-(2-adamantylamino)ethyl]-1-[2,4-bis(fluoranyl)phenyl]-5-(4-chlorophenyl)-4-methyl-pyrazole-3-carboxamide (2 entities in total)
• Functional Keywords: drug target, novel compound, mycobacterium tuberculosis, membrane protein
• Biological source: Mycolicibacterium smegmatis MC2 155
• Total number of polymer chains: 1
• Total formula weight: 110581.81

Authors

Zhang, B.,Hu, T.,Yang, X.,Liu, F.,Rao, Z. (deposition date: 2022-01-20, release date: 2022-08-03, Last modification date: 2024-04-10)

• Primary citation: Hu, T.,Yang, X.,Liu, F.,Sun, S.,Xiong, Z.,Liang, J.,Yang, X.,Wang, H.,Yang, X.,Guddat, L.W.,Yang, H.,Rao, Z.,Zhang, B.; Structure-based design of anti-mycobacterial drug leads that target the mycolic acid transporter MmpL3.; Structure, 30:1395-1402.e4, 2022; PubMed: 35981536; DOI: 10.1016/j.str.2022.07.009

Experimental method

ELECTRON MICROSCOPY (3.36 Å)