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TitleRational Design, Synthesis, and Structure-Activity Relationship of a Novel Isoquinolinone-Based Series of HBV Capsid Assembly Modulators Leading to the Identification of Clinical Candidate AB-836.
Journal, issue, pagesJ. Med. Chem., Vol. 67, Page 16773-16795, Year 2024
Publish dateJun 16, 2024 (structure data deposition date)
AuthorsCole, A.G. / Kultgen, S.G. / Mani, N. / Fan, K.Y. / Ardzinski, A. / Stever, K. / Dorsey, B.D. / Mesaros, E.F. / Thi, E.P. / Graves, I. ...Cole, A.G. / Kultgen, S.G. / Mani, N. / Fan, K.Y. / Ardzinski, A. / Stever, K. / Dorsey, B.D. / Mesaros, E.F. / Thi, E.P. / Graves, I. / Tang, S. / Harasym, T.O. / Lee, A.C.H. / Olland, A. / Suto, R.K. / Sofia, M.J.
External linksJ. Med. Chem. / PubMed:39231272
MethodsX-ray diffraction
Resolution2.63 Å
Structure data

PDB-9c9v:
HBV capsid with compound 3i
Method: X-RAY DIFFRACTION / Resolution: 2.63 Å

Chemicals

PDB-1avk:
CRYSTAL STRUCTURES OF THE COPPER-CONTAINING AMINE OXIDASE FROM ARTHROBACTER GLOBIFORMIS IN THE HOLO-AND APO-FORMS: IMPLICATIONS FOR THE BIOGENESIS OF TOPA QUINONE

Source
  • hepatitis b virus
KeywordsVIRAL PROTEIN / HBV capsid / assembly modulators

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