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TitleCrystal structures of trimeric HIV envelope with entry inhibitors BMS-378806 and BMS-626529.
Journal, issue, pagesNat. Chem. Biol., Vol. 13, Page 1115-1122, Year 2017
Publish dateDec 12, 2016 (structure data deposition date)
AuthorsPancera, M. / Lai, Y.T. / Bylund, T. / Druz, A. / Narpala, S. / O'Dell, S. / Schon, A. / Bailer, R.T. / Chuang, G.Y. / Geng, H. ...Pancera, M. / Lai, Y.T. / Bylund, T. / Druz, A. / Narpala, S. / O'Dell, S. / Schon, A. / Bailer, R.T. / Chuang, G.Y. / Geng, H. / Louder, M.K. / Rawi, R. / Soumana, D.I. / Finzi, A. / Herschhorn, A. / Madani, N. / Sodroski, J. / Freire, E. / Langley, D.R. / Mascola, J.R. / McDermott, A.B. / Kwong, P.D.
External linksNat. Chem. Biol. / PubMed:28825711
MethodsX-ray diffraction
Resolution3.025 - 3.031 Å
Structure data

PDB-5u7m:
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-378806 in Complex with Human Antibodies PGT122 and 35O22 at 3.8 Angstrom
Method: X-RAY DIFFRACTION / Resolution: 3.025 Å

PDB-5u7o:
Crystal Structure of HIV-1 BG505 SOSIP.664 Prefusion Env Trimer Bound to Small Molecule HIV-1 Entry Inhibitor BMS-626529 in Complex with Human Antibodies PGT122 and 35O22 at 3.8 Angstrom
Method: X-RAY DIFFRACTION / Resolution: 3.031 Å

Chemicals

ChemComp-SO4:
SULFATE ION

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

ChemComp-83G:
1-[(2R)-4-(benzenecarbonyl)-2-methylpiperazin-1-yl]-2-(4-methoxy-1H-pyrrolo[2,3-b]pyridin-3-yl)ethane-1,2-dione

ChemComp-83J:
1-[4-(benzenecarbonyl)piperazin-1-yl]-2-[4-methoxy-7-(3-methyl-1H-1,2,4-triazol-1-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

Source
  • human immunodeficiency virus 1
  • homo sapiens (human)
KeywordsVIRAL PROTEIN/Immune system / HIV-1 entry / small molecule / inhibitor / VIRAL PROTEIN-Immune system complex

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