1RTL

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

1RTL の概要

• エントリーDOI: 10.2210/pdb1rtl/pdb
• 関連するPDBエントリー: 1N1L
• 分子名称: NS3 protease/helicase, NS4A COFACTOR, ZINC ION, ... (5 entities in total)
• 機能のキーワード: viral protein, serine protease, nonstructural protein, cofactor peptide, helicase, inhibitor, translactam, viral protein complex
• 由来する生物種: Hepatitis C virus; 詳細
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 47891.98

構造登録者

Skarzynski, T.,Somers, D.O.N. (登録日: 2003-12-10, 公開日: 2004-12-14, 最終更新日: 2024-11-20)

主引用文献

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

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

実験手法

X-RAY DIFFRACTION (2.75 Å)