1YVF

Hepatitis C virus NS5B RNA-dependent RNA polymerase complex with inhibitor PHA-00729145

1YVF の概要

• エントリーDOI: 10.2210/pdb1yvf/pdb
• 分子名称: HCV NS5B POLYMERASE, PHOSPHATE ION, CHLORIDE ION, ... (6 entities in total)
• 機能のキーワード: ns5b, polymerase, hcv, fingers, palm, thumb, transferase
• 由来する生物種: Hepatitis C virus
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 65319.13

構造登録者

Pfefferkorn, J.A.,Greene, M.L.,Nugent, R.A.,Gross, R.J.,Mitchell, M.A.,Finzel, B.C.,Harris, M.S.,Wells, P.A.,Shelly, J.A.,Anstadt, R.A.,Kilkuskie, R.E.,Kopta, L.A.,Schwende, F.J. (登録日: 2005-02-15, 公開日: 2005-04-19, 最終更新日: 2024-02-14)

主引用文献

Pfefferkorn, J.A.,Greene, M.L.,Nugent, R.A.,Gross, R.J.,Mitchell, M.A.,Finzel, B.C.,Harris, M.S.,Wells, P.A.,Shelly, J.A.,Anstadt, R.A.,Kilkuskie, R.E.,Kopta, L.A.,Schwende, F.J.
Inhibitors of HCV NS5B polymerase. Part 1: Evaluation of the southern region of (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid.
Bioorg.Med.Chem.Lett., 15:2481-2486, 2005

PubMed Abstract: A novel series of nonnucleoside HCV NS5B polymerase inhibitors were prepared from (2Z)-2-(benzoylamino)-3-(5-phenyl-2-furyl)acrylic acid, a high throughput screening lead. SAR studies combined with structure based drug design focusing on the southern heterobiaryl region of the template led to the synthesis of several potent and orally bioavailable lead compounds. X-ray crystallography studies were also performed to understand the interaction of these inhibitors with HCV NS5B polymerase.

PubMed: 15863301
DOI: 10.1016/j.bmcl.2005.03.066

実験手法

X-RAY DIFFRACTION (2.5 Å)