7K5M

CRYSTAL STRUCTURE OF HBV CAPSID Y132A MUTANT IN COMPLEX WITH N-(3-chloro-4-fluorophenyl)-3-phenyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide AT 2.65A RESOLUTION

7K5M の概要

• エントリーDOI: 10.2210/pdb7k5m/pdb
• 分子名称: Capsid protein, N-(3-chloro-4-fluorophenyl)-3-phenyl-2,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide, ISOPROPYL ALCOHOL, ... (4 entities in total)
• 機能のキーワード: hvb capsid, viral protein
• 由来する生物種: Hepatitis B virus genotype D subtype adw (isolate United Kingdom/adyw/1979) (HBV-D)
• タンパク質・核酸の鎖数: 6
• 化学式量合計: 109423.32

構造登録者

Kuduk, S.D.,Stoops, B.,Alexander, R.,Lam, A.M.,Espiritu, C.,Vogel, R.,Lau, V.,Klumpp, K.,Flores, O.A.,Hartman, G.D.,Lukacs, C.M.,Abendroth, J. (登録日: 2020-09-17, 公開日: 2021-07-28, 最終更新日: 2024-10-16)

主引用文献

Kuduk, S.D.,Stoops, B.,Alexander, R.,Lam, A.M.,Espiritu, C.,Vogel, R.,Lau, V.,Klumpp, K.,Flores, O.A.,Hartman, G.D.
Identification of a new class of HBV capsid assembly modulator.
Bioorg.Med.Chem.Lett., 39:127848-127848, 2021

PubMed Abstract: The HBV core protein is a druggable target of interest due to the multiple essential functions in the HBV life cycle to enable chronic HBV infection. The core protein oligomerizes to form the viral capsid, and modulation of the HBV capsid assembly has shown efficacy in clinical trials. Herein is described the identification and hit to lead SAR of a novel series of pyrazolo piperidine HBV capsid assembly modulators.

PubMed: 33610748
DOI: 10.1016/j.bmcl.2021.127848

実験手法

X-RAY DIFFRACTION (2.65 Å)