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TitleOptimization of Small Molecules That Sensitize HIV-1 Infected Cells to Antibody-Dependent Cellular Cytotoxicity.
Journal, issue, pagesAcs Med. Chem. Lett., Vol. 11, Page 371-378, Year 2020
Publish dateApr 23, 2019 (structure data deposition date)
AuthorsGrenier, M.C. / Ding, S. / Vezina, D. / Chapleau, J.P. / Tolbert, W.D. / Sherburn, R. / Schon, A. / Somisetti, S. / Abrams, C.F. / Pazgier, M. ...Grenier, M.C. / Ding, S. / Vezina, D. / Chapleau, J.P. / Tolbert, W.D. / Sherburn, R. / Schon, A. / Somisetti, S. / Abrams, C.F. / Pazgier, M. / Finzi, A. / Smith 3rd, A.B.
External linksAcs Med. Chem. Lett. / PubMed:32184972
MethodsX-ray diffraction
Resolution2.4 Å
Structure data

PDB-6ooo:
Crystal structure of HIV-1 LM/HT Clade A/E CRF01 gp120 core in complex with (S)-MCG-IV-226.
Method: X-RAY DIFFRACTION / Resolution: 2.4 Å

Chemicals

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

ChemComp-MXJ:
(3S,5R)-5-amino-N~3~-(4-chloro-3-fluorophenyl)-N~1~-propylpiperidine-1,3-dicarboxamide

ChemComp-EPE:
4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID / pH buffer*YM

ChemComp-HOH:
WATER

Source
  • human immunodeficiency virus 1
Keywordsviral protein/inhibitor / HIV-1 gp120 / CLADE A/E CF01 / viral protein / viral protein-inhibitor complex

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