title: Induced-fit binding of the macrocyclic noncovalent inhibitor TMC435 to its HCV NS3/NS4A protease target.
authors.affiliation: Tibotec BVBA, Gen De Wittelaan L 11B 3, 2800 Mechelen, Belgium. mcummin1@its.jnj.com
authors.forename: Maxwell D
authors.initials: MD
authors.lastname: Cummings
authors.forename: Jimmy
authors.initials: J
authors.lastname: Lindberg
authors.forename: Tse-I
authors.initials: TI
authors.lastname: Lin
authors.forename: Herman
authors.initials: H
authors.lastname: de Kock
authors.forename: Oliver
authors.initials: O
authors.lastname: Lenz
authors.forename: Elisabet
authors.initials: E
authors.lastname: Lilja
authors.forename: Sara
authors.initials: S
authors.lastname: Felländer
authors.forename: Vera
authors.initials: V
authors.lastname: Baraznenok
authors.forename: Susanne
authors.initials: S
authors.lastname: Nyström
authors.forename: Magnus
authors.initials: M
authors.lastname: Nilsson
authors.forename: Lotta
authors.initials: L
authors.lastname: Vrang
authors.forename: Michael
authors.initials: M
authors.lastname: Edlund
authors.forename: Asa
authors.initials: A
authors.lastname: Rosenquist
authors.forename: Bertil
authors.initials: B
authors.lastname: Samuelsson
authors.forename: Pierre
authors.initials: P
authors.lastname: Raboisson
authors.forename: Kenneth
authors.initials: K
authors.lastname: Simmen
mesh_terms: D001665:Binding Sites; D002352:Carrier Proteins / Q000037:antagonists & inhibitors* / Q000378:metabolism; D018360:Crystallography, X-Ray; D015195:Drug Design; D006575:Heterocyclic Compounds, 3-Ring / Q000737:chemistry* / Q000494:pharmacology; D006801:Humans; D047908:Intracellular Signaling Peptides and Proteins; D047028:Macrocyclic Compounds / Q000737:chemistry*; D011480:Protease Inhibitors / Q000737:chemistry* / Q000494:pharmacology; D011485:Protein Binding; D000069616:Simeprevir; D013449:Sulfonamides / Q000737:chemistry* / Q000494:pharmacology; D017361:Viral Nonstructural Proteins / Q000037:antagonists & inhibitors* / Q000378:metabolism; D014764:Viral Proteins / Q000037:antagonists & inhibitors* / Q000378:metabolism; D012697:Serine Endopeptidases; D043583:Nucleoside-Triphosphatase; D053487:DEAD-box RNA Helicases; D000085242:Viral Proteases
chemical_list: D002352:Carrier Proteins; D006575:Heterocyclic Compounds, 3-Ring; D047908:Intracellular Signaling Peptides and Proteins; D047028:Macrocyclic Compounds; D011480:Protease Inhibitors; D000069616:Simeprevir; D013449:Sulfonamides; D017361:Viral Nonstructural Proteins; D014764:Viral Proteins; C084422:NS3 protein, hepatitis C virus; D012697:Serine Endopeptidases; D043583:Nucleoside-Triphosphatase; D053487:DEAD-box RNA Helicases; D000085242:Viral Proteases; C455041:NS4A cofactor peptide, Hepatitis C virus