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Title | Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization. |
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Journal, issue, pages | ACS Med Chem Lett, Vol. 4, Page 338-343, Year 2013 |
Publish date | Nov 28, 2012 (structure data deposition date) |
Authors | Lalonde, J.M. / Le-Khac, M. / Jones, D.M. / Courter, J.R. / Park, J. / Schon, A. / Princiotto, A.M. / Wu, X. / Mascola, J.R. / Freire, E. ...Lalonde, J.M. / Le-Khac, M. / Jones, D.M. / Courter, J.R. / Park, J. / Schon, A. / Princiotto, A.M. / Wu, X. / Mascola, J.R. / Freire, E. / Sodroski, J. / Madani, N. / Hendrickson, W.A. / Smith, A.B. |
External links | ACS Med Chem Lett / PubMed:23667716 |
Methods | X-ray diffraction |
Resolution | 2.5 - 2.5002 Å |
Structure data | PDB-4i53: PDB-4i54: |
Chemicals | ChemComp-1C1: ChemComp-NAG: ChemComp-FMT: ChemComp-HOH: ChemComp-EPE: |
Source |
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Keywords | VIRAL PROTEIN/INHIBITOR / HIV / gp120 / entry inhibitor / DMJ-II-121 / CD4-mimetic / VIRAL PROTEIN-INHIBITOR COMPLEX / C1086 / Extracellular / structure-based drug design / thermodynamics / viral inhibition / Clade A/E / CD4 |