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 RESOLUTIONCRYSTAL 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

Structural highlights

Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 2.65Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Publication Abstract from PubMed

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.

Identification of a new class of HBV capsid assembly modulator.,Kuduk SD, Stoops B, Alexander R, Lam AM, Espiritu C, Vogel R, Lau V, Klumpp K, Flores OA, Hartman GD Bioorg Med Chem Lett. 2021 May 1;39:127848. doi: 10.1016/j.bmcl.2021.127848. Epub, 2021 Feb 18. PMID:33610748[1]

From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

References

  1. Kuduk SD, Stoops B, Alexander R, Lam AM, Espiritu C, Vogel R, Lau V, Klumpp K, Flores OA, Hartman GD. Identification of a new class of HBV capsid assembly modulator. Bioorg Med Chem Lett. 2021 May 1;39:127848. PMID:33610748 doi:10.1016/j.bmcl.2021.127848

7k5m, resolution 2.65Å

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