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

Summary for 7K5M

• Entry DOI: 10.2210/pdb7k5m/pdb
• Descriptor: 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)
• Functional Keywords: hvb capsid, viral protein
• Biological source: Hepatitis B virus genotype D subtype adw (isolate United Kingdom/adyw/1979) (HBV-D)
• Total number of polymer chains: 6
• Total formula weight: 109423.32

Authors

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. (deposition date: 2020-09-17, release date: 2021-07-28, Last modification date: 2024-10-16)

Primary citation

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

Experimental method

X-RAY DIFFRACTION (2.65 Å)