4U01

HCV NS3/4A serine protease in complex with 6570

Summary for 4U01

• Entry DOI: 10.2210/pdb4u01/pdb
• Descriptor: Non-structural 3 protease, NS4A protein, (2S,3aS,10Z,11aS,12aR)-2-({8-fluoro-7-methoxy-2-[4-(propan-2-yl)-1,3-thiazol-2-yl]quinolin-4-yl}oxy)-5-methyl-N-[(1-methylcyclopropyl)sulfonyl]-4,14-dioxo-1,2,3,3a,4,5,6,7,8,9,11a,12,13,14-tetradecahydro-12aH-cyclopropa[m]pyrrolo[1,2-c][1,3,6]triazacyclotetradecine-12a-carboxamide, ... (5 entities in total)
• Functional Keywords: hvc, ns3/4a protease, drug design, proteros biostructures gmbh, hydrolase
• Biological source: Hepatitis C virus (isolate Con1); More
• Total number of polymer chains: 18
• Total formula weight: 215982.08

Authors

Parsy, C.C.,Alexandre, F.-R.,Brandt, G.,Caillet, C.,Chaves, D.,Derock, M.,Gloux, D.,Griffon, Y.,Lallos, L.B.,Leroy, F.,Liuzzi, M.,Loi, A.-G.,Mayes, B.,Moulat, L.,Moussa, A.,Chiara, M.,Roques, V.,Rosinovsky, E.,Seifer, M.,Stewart, A.,Wang, J.,Standring, D.,Surleraux, D. (deposition date: 2014-07-11, release date: 2015-07-29, Last modification date: 2015-11-11)

• Primary citation: Parsy, C.C.,Alexandre, F.R.,Bidau, V.,Bonnaterre, F.,Brandt, G.,Caillet, C.,Cappelle, S.,Chaves, D.,Convard, T.,Derock, M.,Gloux, D.,Griffon, Y.,Lallos, L.B.,Leroy, F.,Liuzzi, M.,Loi, A.G.,Moulat, L.,Chiara, M.,Rahali, H.,Roques, V.,Rosinovsky, E.,Savin, S.,Seifer, M.,Standring, D.,Surleraux, D.; Discovery and structural diversity of the hepatitis C virus NS3/4A serine protease inhibitor series leading to clinical candidate IDX320.; Bioorg.Med.Chem.Lett., 25:5427-5436, 2015; PubMed: 26410074; DOI: 10.1016/j.bmcl.2015.09.009

Experimental method

X-RAY DIFFRACTION (2.8 Å)