8FUI

HIV-1 wild type protease with GRL-02519A, with N-(2,5-dimethylphenyl)-4-(pyridin-3-yl)pyrimidin-2-amine as P2-P3 group

Summary for 8FUI

Entry DOI	10.2210/pdb8fui/pdb
Related	2IEN 4ZIP 5UOV 5UPZ 6DV0 6DV4 8FUJ
Descriptor	Protease, N-{(2S,3R)-4-[(4-aminobenzene-1-sulfonyl)(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}-4-methyl-3-{[(4P)-4-(pyridin-3-yl)pyrimidin-2-yl]amino}benzamide, SODIUM ION, ... (8 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	22592.17
Authors	Wang, Y.-F.,Wong-Sam, A.E.,Ghosh, A.K.,Weber, I.T. (deposition date: 2023-01-17, release date: 2023-05-24)
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: 37150084 DOI: 10.1016/j.ejmech.2023.115385 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.25 Å)

Structure validation