7A3I

Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, LMC375

Summary for 7A3I

• Entry DOI: 10.2210/pdb7a3i/pdb
• Related: 6EOP
• Descriptor: Dipeptidyl peptidase 8, trimethylamine oxide, ~{N}-[3,5-bis[[4-[(4-bromophenyl)methyl]piperazin-1-yl]methyl]phenyl]-2-ethyl-2-methanoyl-butanamide, ... (6 entities in total)
• Functional Keywords: dpp8, protease, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 3
• Total formula weight: 313111.54

Authors

Ross, B.H.,Huber, R. (deposition date: 2020-08-18, release date: 2021-06-30, Last modification date: 2024-10-16)

• Primary citation: Fehr, L.,Carvalho, L.A.R.,Ross, B.H.,Lum, K.,Vieira, A.C.,Kiefersauer, R.,Geiss-Friedlander, R.,Kaiser, M.,Rodrigues, T.,Lucas, S.D.,Cravatt, B.F.,Huber, R.,Moreira, R.; Discovery and Development of 4-Oxo-beta-Lactams as Novel Inhibitors of Dipeptidyl Peptidases 8 and 9; To Be Published,

Experimental method

X-RAY DIFFRACTION (2.8 Å)