3LOX

HCV NS3-4a protease domain with a ketoamide inhibitor derivative of Boceprevir bound

3LOX の概要

• エントリーDOI: 10.2210/pdb3lox/pdb
• 関連するBIRD辞書のPRD_ID: PRD_000843
• 分子名称: HCV NS3 Protease, HCV NS4a(21-39) peptide, ZINC ION, ... (6 entities in total)
• 機能のキーワード: ns3 protease domain, serine protease, ketoamide inhibitor, atp-binding, hydrolase, membrane, nucleotide-binding, rna replication, transmembrane, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
• 由来する生物種: Hepatitis C virus subtype 1a
• タンパク質・核酸の鎖数: 4
• 化学式量合計: 48025.24

構造登録者

Prongay, A.J. (登録日: 2010-02-04, 公開日: 2011-02-23, 最終更新日: 2024-04-03)

• 主引用文献: Bennett, F.,Huang, Y.,Hendrata, S.,Lovey, R.,Bogen, S.L.,Pan, W.,Guo, Z.,Prongay, A.,Chen, K.X.,Arasappan, A.,Venkatraman, S.,Velazquez, F.,Nair, L.,Sannigrahi, M.,Tong, X.,Pichardo, J.,Cheng, K.C.,Girijavallabhan, V.M.,Saksena, A.K.,Njoroge, F.G.; The introduction of P4 substituted 1-methylcyclohexyl groups into Boceprevir: a change in direction in the search for a second generation HCV NS3 protease inhibitor.; Bioorg.Med.Chem.Lett., 20:2617-2621, 2010; PubMed: 20303756; DOI: 10.1016/j.bmcl.2010.02.063

実験手法

X-RAY DIFFRACTION (2.65 Å)