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; PubMed: 31935327; DOI: 10.1021/acs.jmedchem.9b01769

Experimental method

X-RAY DIFFRACTION (2.23 Å)