6UL5
Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor
Summary for 6UL5
Entry DOI | 10.2210/pdb6ul5/pdb |
Descriptor | Reverse transcriptase p66, Reverse transcriptase p51, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, ... (7 entities in total) |
Functional Keywords | human immunodeficiency virus 1, non nucleotide-reverse transcriptase inhibitor, transferase |
Biological source | Human immunodeficiency virus type 1 (HIV-1) More |
Total number of polymer chains | 2 |
Total formula weight | 115596.41 |
Authors | Ruiz, F.X.,Pilch, A.,Arnold, E. (deposition date: 2019-10-06, release date: 2020-02-05, Last modification date: 2023-10-11) |
Primary citation | Kang, D.,Ruiz, F.X.,Feng, D.,Pilch, A.,Zhao, T.,Wei, F.,Wang, Z.,Sun, Y.,Fang, Z.,De Clercq, E.,Pannecouque, C.,Arnold, E.,Liu, X.,Zhan, P. Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel. J.Med.Chem., 63:1298-1312, 2020 Cited by PubMed: 31935327DOI: 10.1021/acs.jmedchem.9b01769 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.23 Å) |
Structure validation
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