4I54

Crystal structure of clade A/E 93TH057 HIV-1 gp120 H375S core in complex with DMJ-II-121

Summary for 4I54

• Entry DOI: 10.2210/pdb4i54/pdb
• Descriptor: HIV-1 glycoprotein, amino({[(1R,2R)-1-({[(4-chloro-3-fluorophenyl)amino](oxo)acetyl}amino)-2,3-dihydro-1H-inden-2-yl]methyl}amino)methanimi nium, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (5 entities in total)
• Functional Keywords: hiv, gp120, entry inhibitor, structure-based drug design, thermodynamics, viral inhibition, dmj-ii-121, cd4-mimetic, viral protein-inhibitor complex, clade a/e, cd4, extracellular, viral protein/inhibitor
• Biological source: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1
• Total number of polymer chains: 2
• Total formula weight: 83146.36

Authors

Le-Khac, M.,Hendrickson, W.A. (deposition date: 2012-11-28, release date: 2013-05-29, Last modification date: 2021-05-26)

• Primary citation: 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.; Structure-Based Design and Synthesis of an HIV-1 Entry Inhibitor Exploiting X-Ray and Thermodynamic Characterization.; ACS Med Chem Lett, 4:338-343, 2013; PubMed: 23667716; DOI: 10.1021/ml300407y

Experimental method

X-RAY DIFFRACTION (2.5 Å)