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: 33062180 DOI: 10.1021/acsmedchemlett.9b00670 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.18 Å)

Structure validation