6DV0
HIV-1 wild type protease with GRL-02815A, a thiochroman heterocycle with (S)-Boc-amine functionality as the P2 ligand
Summary for 6DV0
Entry DOI | 10.2210/pdb6dv0/pdb |
Related | 2IEN 6DV4 |
Descriptor | Protease, SODIUM ION, CHLORIDE ION, ... (6 entities in total) |
Functional Keywords | aspartic acid protease, hiv-1 protease inhibitor of grl-02815a, thiochroman, p2 ligand, drug resistance, design and synthesis, hydrolase, antiviral protein |
Biological source | Human immunodeficiency virus 1 |
Total number of polymer chains | 2 |
Total formula weight | 22365.25 |
Authors | Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2018-06-22, release date: 2018-10-31, Last modification date: 2023-10-11) |
Primary citation | Ghosh, A.K.,Jadhav, R.D.,Simpson, H.,Kovela, S.,Osswald, H.,Agniswamy, J.,Wang, Y.F.,Hattori, S.I.,Weber, I.T.,Mitsuya, H. Design, synthesis, and X-ray studies of potent HIV-1 protease inhibitors incorporating aminothiochromane and aminotetrahydronaphthalene carboxamide derivatives as the P2 ligands. Eur J Med Chem, 160:171-182, 2018 Cited by PubMed: 30340140DOI: 10.1016/j.ejmech.2018.09.046 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.2 Å) |
Structure validation
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