6VOE
HIV-1 wild type protease with GRL-019-17A, a tricyclic cyclohexane fused tetrahydrofuranofuran (CHf-THF) derivative as the P2 ligand and a aminobenzothiazole(Abt)-based P2'-ligand
Summary for 6VOE
Entry DOI | 10.2210/pdb6voe/pdb |
Related | 2IEN 5ULT 6BZ2 6CDJ 6CDL 6VOD |
Descriptor | Protease, SODIUM ION, CHLORIDE ION, ... (6 entities in total) |
Functional Keywords | inhibitors, antiviral, multidrug-resistant, chf-thf, backbone binding, antiviral protein |
Biological source | Human immunodeficiency virus 1 |
Total number of polymer chains | 2 |
Total formula weight | 22350.13 |
Authors | Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2020-01-30, release date: 2020-05-13, Last modification date: 2023-10-11) |
Primary citation | Ghosh, A.K.,Kovela, S.,Osswald, H.L.,Amano, M.,Aoki, M.,Agniswamy, J.,Wang, Y.F.,Weber, I.T.,Mitsuya, H. Structure-Based Design of Highly Potent HIV-1 Protease Inhibitors Containing New Tricyclic Ring P2-Ligands: Design, Synthesis, Biological, and X-ray Structural Studies. J.Med.Chem., 63:4867-4879, 2020 Cited by PubMed: 32348139DOI: 10.1021/acs.jmedchem.0c00202 PDB entries with the same primary citation |
Experimental method |
Structure validation
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