1RTL

CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN: NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND PYRROLIDINE-5,5-TRANSLACTAM INHIBITOR

Summary for 1RTL

Entry DOI	10.2210/pdb1rtl/pdb
Related	1N1L
Descriptor	NS3 protease/helicase, NS4A COFACTOR, ZINC ION, ... (5 entities in total)
Functional Keywords	viral protein, serine protease, nonstructural protein, cofactor peptide, helicase, inhibitor, translactam, viral protein complex
Biological source	Hepatitis C virus More
Total number of polymer chains	4
Total formula weight	47891.98
Authors	Skarzynski, T.,Somers, D.O.N. (deposition date: 2003-12-10, release date: 2004-12-14, Last modification date: 2024-11-20)
Primary citation	Slater, M.J.,Amphlett, E.M.,Andrews, D.M.,Bamborough, P.,Carey, S.J.,Johnson, M.R.,Jones, P.S.,Mills, G.,Parry, N.R.,Somers, D.O.,Stewart, A.J.,Skarzynski, T. Pyrrolidine-5,5-trans-lactams. 4. Incorporation of a P3/P4 urea leads to potent intracellular inhibitors of hepatitis C virus NS3/4A protease Org.Lett., 5:4627-4630, 2003 Cited by PubMed Abstract: [reaction: see text] In this, the first of two Letters, we describe how a P3/P4 urea linking unit was used to greatly enhance the biochemical and replicon potency of inhibitors based upon the pyrrolidine-5,5-trans-lactam template. Compound 7b demonstrated a 100 nM IC(50) in the replicon cell-based surrogate HCV assay. PubMed: 14627400 DOI: 10.1021/ol035826v PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.75 Å)

Structure validation