7QRC

X-ray structure of Trypanosoma cruzi PEX14 in complex with a PEX5-PEX14 PPI inhibitor

Summary for 7QRC

• Entry DOI: 10.2210/pdb7qrc/pdb
• Descriptor: Peroxin-14, GLYCEROL, ~{N}-(5-ethyl-6-oxidanylidene-benzo[b][1,4]benzothiazepin-2-yl)-2-(4-fluorophenyl)ethanamide, ... (4 entities in total)
• Functional Keywords: structure-based drug design, inhibitor, trypanosomiasis, complex, pex5-pex14 ppi, signaling protein
• Biological source: Trypanosoma cruzi
• Total number of polymer chains: 2
• Total formula weight: 15946.35

Authors

Napolitano, V.,Popowicz, G.M.,Dawidowski, M.,Dubin, G. (deposition date: 2022-01-10, release date: 2022-11-23, Last modification date: 2024-01-31)

• Primary citation: Napolitano, V.,Mroz, P.,Marciniak, M.,Kalel, V.C.,Softley, C.A.,Janna Olmos, J.D.,Tippler, B.G.,Schorpp, K.,Rioton, S.,Frohlich, T.,Plettenburg, O.,Hadian, K.,Erdmann, R.,Sattler, M.,Popowicz, G.M.,Dawidowski, M.,Dubin, G.; Structure-based design, synthesis and evaluation of a novel family of PEX5-PEX14 interaction inhibitors against Trypanosoma.; Eur.J.Med.Chem., 243:114778-114778, 2022; PubMed: 36194937; DOI: 10.1016/j.ejmech.2022.114778

Experimental method

X-RAY DIFFRACTION (2.18 Å)