4RZ8

Crystal structure of HIV-1 gp120 core in complex with NBD-11021, a small molecule CD4-antagonist

Summary for 4RZ8

Entry DOI	10.2210/pdb4rz8/pdb
Descriptor	Envelope glycoprotein gp120, 2-acetamido-2-deoxy-beta-D-glucopyranose, 5-(4-chlorophenyl)-N-{(S)-[5-(hydroxymethyl)-4-methyl-1,3-thiazol-2-yl][(2R)-piperidin-2-yl]methyl}-1H-pyrrole-2-carboxamide, ... (5 entities in total)
Functional Keywords	hiv-1 gp120, nbd-11021, small molecule cd4-antagonist, phe 43 cavity, viral protein
Biological source	Human immunodeficiency virus 1 More
Total number of polymer chains	4
Total formula weight	168222.92
Authors	Kwon, Y.D.,Debnath, A.K.,Kwong, P.D. (deposition date: 2014-12-18, release date: 2015-09-09, Last modification date: 2023-09-20)
Primary citation	Curreli, F.,Kwon, Y.D.,Zhang, H.,Scacalossi, D.,Belov, D.S.,Tikhonov, A.A.,Andreev, I.A.,Altieri, A.,Kurkin, A.V.,Kwong, P.D.,Debnath, A.K. Structure-Based Design of a Small Molecule CD4-Antagonist with Broad Spectrum Anti-HIV-1 Activity. J.Med.Chem., 58:6909-6927, 2015 Cited by PubMed: 26301736 DOI: 10.1021/acs.jmedchem.5b00709 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.9 Å)

Structure validation