7OR4

Crystal structure of DPP8 in complex with a 4-oxo-b-lactam based inhibitor, B142

Summary for 7OR4

• Entry DOI: 10.2210/pdb7or4/pdb
• Descriptor: Dipeptidyl peptidase 8, trimethylamine oxide, methyl 3-[4-[(4-bromophenyl)methyl]piperazin-1-yl]carbonyl-5-[(2-ethyl-2-methanoyl-butanoyl)amino]benzoate, ... (4 entities in total)
• Functional Keywords: dpp8, dpp9, 4-oxo-b-lactam, hydrolase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 208233.85

Authors

Ross, B.,Huber, R. (deposition date: 2021-06-04, release date: 2021-07-07, Last modification date: 2024-01-31)

• Primary citation: Carvalho, L.A.R.,Ross, B.,Fehr, L.,Bolgi, O.,Wohrle, S.,Lum, K.M.,Podlesainski, D.,Vieira, A.C.,Kiefersauer, R.,Felix, R.,Rodrigues, T.,Lucas, S.D.,Gross, O.,Geiss-Friedlander, R.,Cravatt, B.F.,Huber, R.,Kaiser, M.,Moreira, R.; Chemoproteomics-Enabled Identification of 4-Oxo-beta-Lactams as Inhibitors of Dipeptidyl Peptidases 8 and 9.; Angew.Chem.Int.Ed.Engl., 61:e202210498-e202210498, 2022; PubMed: 36089535; DOI: 10.1002/anie.202210498

Experimental method

X-RAY DIFFRACTION (2.44 Å)