6CDL
HIV-1 wild type protease with GRL-03214A, 6-5-5-ring fused umbrella-like tetrahydropyranofuran as the P2-ligand, a cyclopropylaminobenzothiazole as the P2'-ligand and 3,5-difluorophenylmethyl as the P1-ligand
Summary for 6CDL
| Entry DOI | 10.2210/pdb6cdl/pdb |
| Related | 2IEN 6BZ2 |
| Descriptor | Protease, SODIUM ION, CHLORIDE ION, ... (7 entities in total) |
| Functional Keywords | aspartic acid protease, hiv-1 protease inhibitor of grl-03314a, umb-thf, antiviral, multidrug-resistant, synthesis, backbone binding, hydrolase, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
| Biological source | Human immunodeficiency virus 1 |
| Total number of polymer chains | 2 |
| Total formula weight | 22539.33 |
| Authors | Wang, Y.-F.,Agniswamy, J.,Weber, I.T. (deposition date: 2018-02-08, release date: 2018-05-30, Last modification date: 2023-10-04) |
| Primary citation | Ghosh, A.K.,R Nyalapatla, P.,Kovela, S.,Rao, K.V.,Brindisi, M.,Osswald, H.L.,Amano, M.,Aoki, M.,Agniswamy, J.,Wang, Y.F.,Weber, I.T.,Mitsuya, H. Design and Synthesis of Highly Potent HIV-1 Protease Inhibitors Containing Tricyclic Fused Ring Systems as Novel P2 Ligands: Structure-Activity Studies, Biological and X-ray Structural Analysis. J. Med. Chem., 61:4561-4577, 2018 Cited by PubMed: 29763303DOI: 10.1021/acs.jmedchem.8b00298 PDB entries with the same primary citation |
| Experimental method | X-RAY DIFFRACTION (1.25 Å) |
Structure validation
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