5ULT

HIV-1 wild Type protease with GRL-100-13A (a Crown-like Oxotricyclic Core as the P2-Ligand with the sulfonamide isostere as the P2' group)

Summary for 5ULT

Entry DOI	10.2210/pdb5ult/pdb
Related	2IEN 5TYR 5UOV 5UPZ
Descriptor	Protease, SODIUM ION, CHLORIDE ION, ... (5 entities in total)
Functional Keywords	crown-like oxotricyclic core, hiv-1 protease inhibitor grl-100-13a, darunavir, multidrug-resistant, hydrolase inhibitor complex, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22163.96
Authors	Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2017-01-25, release date: 2017-05-03, Last modification date: 2023-10-04)
Primary citation	Ghosh, A.K.,Rao, K.V.,Nyalapatla, P.R.,Osswald, H.L.,Martyr, C.D.,Aoki, M.,Hayashi, H.,Agniswamy, J.,Wang, Y.F.,Bulut, H.,Das, D.,Weber, I.T.,Mitsuya, H. Design and Development of Highly Potent HIV-1 Protease Inhibitors with a Crown-Like Oxotricyclic Core as the P2-Ligand To Combat Multidrug-Resistant HIV Variants. J. Med. Chem., 60:4267-4278, 2017 Cited by PubMed: 28418652 DOI: 10.1021/acs.jmedchem.7b00172 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.53 Å)

Structure validation