5U6E

Crystal structure of clade A/E HIV-1 gp120 core in complex with NBD-14010

Summary for 5U6E

Entry DOI	10.2210/pdb5u6e/pdb
Descriptor	clade A/E 93TH057 HIV-1 gp120 core, 2-acetamido-2-deoxy-beta-D-glucopyranose, N-{(1S)-2-amino-1-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl]ethyl}-5-(4-chloro-3-fluorophenyl)-1H-pyrrole-2-carboxamide, ... (5 entities in total)
Functional Keywords	hiv-1, nbd-14010, virus entry antagonist, small molecule, viral protein
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	83596.84
Authors	Kwon, Y.D.,Debnath, A.K.,Kwong, P.D. (deposition date: 2016-12-07, release date: 2017-03-22, Last modification date: 2023-10-04)
Primary citation	Curreli, F.,Kwon, Y.D.,Belov, D.S.,Ramesh, R.R.,Kurkin, A.V.,Altieri, A.,Kwong, P.D.,Debnath, A.K. Synthesis, Antiviral Potency, in Vitro ADMET, and X-ray Structure of Potent CD4 Mimics as Entry Inhibitors That Target the Phe43 Cavity of HIV-1 gp120. J. Med. Chem., 60:3124-3153, 2017 Cited by PubMed: 28266845 DOI: 10.1021/acs.jmedchem.7b00179 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.095 Å)

Structure validation