4TYD

Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease

Summary for 4TYD

• Entry DOI: 10.2210/pdb4tyd/pdb
• Descriptor: NS3 protease, ZINC ION, (4R,6S,7Z,15S,17S)-17-[({7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)methyl]-13-methyl-N-[(1-methylcyclopropyl)sulfonyl]-2,14-dioxo-1,3,13-triazatricyclo[13.2.0.0~4,6~]heptadec-7-ene-4-carboxamide, ... (5 entities in total)
• Functional Keywords: structure-based design, hcv ns3/4a serine protease, azetidine inhibitors, proteros biostructures gmbh, hydrolase
• Biological source: Hepatitis C virus (isolate 1)
• Total number of polymer chains: 12
• Total formula weight: 267727.95

Authors

Parsy, C. (deposition date: 2014-07-08, release date: 2014-09-10, Last modification date: 2018-04-25)

• Primary citation: Parsy, C.,Alexandre, F.R.,Brandt, G.,Caillet, C.,Cappelle, S.,Chaves, D.,Convard, T.,Derock, M.,Gloux, D.,Griffon, Y.,Lallos, L.,Leroy, F.,Liuzzi, M.,Loi, A.G.,Moulat, L.,Musiu, C.,Rahali, H.,Roques, V.,Seifer, M.,Standring, D.,Surleraux, D.; Structure-based design of a novel series of azetidine inhibitors of the hepatitis C virus NS3/4A serine protease.; Bioorg.Med.Chem.Lett., 24:4444-4449, 2014; PubMed: 25155387; DOI: 10.1016/j.bmcl.2014.08.002

Experimental method

X-RAY DIFFRACTION (2.84 Å)