6VCE
HIV-1 wild type protease with GRL-026-18A, a crown-like tetrahydropyranotetrahydrofuran with a bridged methylene group as a P2 ligand
Summary for 6VCE
Entry DOI | 10.2210/pdb6vce/pdb |
Related | 2IEN 5TYS 6BZ2 |
Descriptor | Protease, SODIUM ION, CHLORIDE ION, ... (6 entities in total) |
Functional Keywords | aspartic acid protease, hiv-1 protease, cyclic ethers, urethane, carboxamide, inhibitors, multidrug-resistant, synthesis, x-ray crystal structure, backbone binding, viral protein, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Human immunodeficiency virus 1 |
Total number of polymer chains | 2 |
Total formula weight | 22606.10 |
Authors | Wang, Y.-F.,Kneller, D.W.,Weber, I.T. (deposition date: 2019-12-20, release date: 2020-07-01, Last modification date: 2023-10-11) |
Primary citation | Ghosh, A.K.,Grillo, A.,Raghavaiah, J.,Kovela, S.,Johnson, M.E.,Kneller, D.W.,Wang, Y.F.,Hattori, S.I.,Higashi-Kuwata, N.,Weber, I.T.,Mitsuya, H. Design, Synthesis, and X-ray Studies of Potent HIV-1 Protease Inhibitors with P2-Carboxamide Functionalities. Acs Med.Chem.Lett., 11:1965-1972, 2020 Cited by PubMed: 33062180DOI: 10.1021/acsmedchemlett.9b00670 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.18 Å) |
Structure validation
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