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Structure paper

TitleDiscovery of Linvencorvir (RG7907), a Hepatitis B Virus Core Protein Allosteric Modulator, for the Treatment of Chronic HBV Infection.
Journal, issue, pagesJ. Med. Chem., Vol. 66, Page 4253-4270, Year 2023
Publish dateJan 30, 2023 (structure data deposition date)
AuthorsZhang, W. / Guo, L. / Liu, H. / Wu, G. / Shi, H. / Zhou, M. / Zhang, Z. / Kou, B. / Hu, T. / Zhou, Z. ...Zhang, W. / Guo, L. / Liu, H. / Wu, G. / Shi, H. / Zhou, M. / Zhang, Z. / Kou, B. / Hu, T. / Zhou, Z. / Xu, Z. / Zhou, X. / Zhou, Y. / Tian, X. / Yang, G. / Young, J.A.T. / Qiu, H. / Ottaviani, G. / Xie, J. / Mayweg, A.V. / Shen, H.C. / Zhu, W.
External linksJ. Med. Chem. / PubMed:36896968
MethodsX-ray diffraction
Resolution1.6 Å
Structure data

PDB-8i71:
Hepatitis B virus core protein Y132A mutant in complex with Linvencorvir (RG7907), a Hepatitis B Virus (HBV) Core Protein Allosteric Modulator (CpAM)
Method: X-RAY DIFFRACTION / Resolution: 1.6 Å

Chemicals

ChemComp-CL:
Unknown entry

ChemComp-IPA:
ISOPROPYL ALCOHOL / alkaloid*YM

ChemComp-GOL:
GLYCEROL

ChemComp-OTI:
3-[(8~{a}~{S})-7-[[5-ethoxycarbonyl-4-(3-fluoranyl-2-methyl-phenyl)-2-(1,3-thiazol-2-yl)-1,4-dihydropyrimidin-6-yl]methyl]-3-oxidanylidene-5,6,8,8~{a}-tetrahydro-1~{H}-imidazo[1,5-a]pyrazin-2-yl]-2,2-dimethyl-propanoic acid

ChemComp-DMS:
DIMETHYL SULFOXIDE / DMSO, precipitant*YM

ChemComp-HOH:
WATER

Source
  • hepatitis b virus subtype adyw
KeywordsVIRAL PROTEIN / capsid assembly inhibitor / ANTIVIRAL PROTEIN

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