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Structure paper

TitleIdentification of gp120 Residue His105 as a Novel Target for HIV-1 Neutralization by Small-Molecule CD4-Mimics.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 12, Page 1824-1831, Year 2021
Publish dateAug 12, 2021 (structure data deposition date)
AuthorsFritschi, C.J. / Liang, S. / Mohammadi, M. / Anang, S. / Moraca, F. / Chen, J. / Madani, N. / Sodroski, J.G. / Abrams, C.F. / Hendrickson, W.A. / Smith 3rd, A.B.
External linksAcs Med. Chem. Lett. / PubMed:34795873
MethodsX-ray diffraction
Resolution2.7 - 2.79 Å
Structure data

PDB-7rsx:
HIV-1 gp120 complex with CJF-III-049-S
Method: X-RAY DIFFRACTION / Resolution: 2.75 Å

PDB-7rsy:
HIV-1 gp120 complex with CJF-III-049-R
Method: X-RAY DIFFRACTION / Resolution: 2.7 Å

PDB-7rsz:
HIV-1 gp120 complex with CJF-II-204
Method: X-RAY DIFFRACTION / Resolution: 2.79 Å

Chemicals

ChemComp-NAG:
2-acetamido-2-deoxy-beta-D-glucopyranose

ChemComp-7IT:
N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3S)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide

ChemComp-HOH:
WATER

ChemComp-7IW:
N~1~-{(1R,2R,3S)-2-(carbamimidamidomethyl)-3-[(3R)-3,4-dihydroxybutyl]-5-[(methylamino)methyl]-2,3-dihydro-1H-inden-1-yl}-N~2~-(4-chloro-3-fluorophenyl)ethanediamide

Source
  • human immunodeficiency virus 1
KeywordsVIRAL PROTEIN / HIV-1 gp120 / inhibitor

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