8FUJ
HIV-1 wild type protease with GRL-03419A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group and 3,5-difluorophenylmethyl as the P1 group
Summary for 8FUJ
Entry DOI | 10.2210/pdb8fuj/pdb |
Related | 2IEN 4ZIP 5UOV 5UPZ 6DV0 6DV4 8FUI |
Descriptor | Protease, SODIUM ION, CHLORIDE ION, ... (7 entities in total) |
Functional Keywords | aspartic acid protease, hiv-1 protease, inhibitors, pyridylpyrimidine, hydrolase-inhibitor complex, hydrolase/inhibitor |
Biological source | Human immunodeficiency virus 1 |
Total number of polymer chains | 2 |
Total formula weight | 22561.12 |
Authors | Wang, Y.-F.,Agniswamy, J.,Ghosh, A.K.,Weber, I.T. (deposition date: 2023-01-17, release date: 2023-05-24, Last modification date: 2024-05-22) |
Primary citation | Ghosh, A.K.,Mishevich, J.L.,Kovela, S.,Shaktah, R.,Ghosh, A.K.,Johnson, M.,Wang, Y.F.,Wong-Sam, A.,Agniswamy, J.,Amano, M.,Takamatsu, Y.,Hattori, S.I.,Weber, I.T.,Mitsuya, H. Exploration of imatinib and nilotinib-derived templates as the P2-Ligand for HIV-1 protease inhibitors: Design, synthesis, protein X-ray structural studies, and biological evaluation. Eur.J.Med.Chem., 255:115385-115385, 2023 Cited by PubMed: 37150084DOI: 10.1016/j.ejmech.2023.115385 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.12 Å) |
Structure validation
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