8FE8

Crystal Structure of HIV-1 RT in Complex with the non-nucleoside inhibitor 18b1

Summary for 8FE8

• Entry DOI: 10.2210/pdb8fe8/pdb
• Descriptor: Reverse transcriptase/ribonuclease H, Reverse transcriptase p51, 5-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}pyrimidin-2-yl)amino]-2-[4-(methanesulfonyl)piperazin-1-yl]benzonitrile, ... (6 entities in total)
• Functional Keywords: non nucleotide-reverse transcriptase inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Human immunodeficiency virus 1; More
• Total number of polymer chains: 2
• Total formula weight: 115253.84

Authors

Rumrill, S.,Ruiz, F.X.,Arnold, E. (deposition date: 2022-12-05, release date: 2023-10-18)

• Primary citation: Jiang, X.,Huang, B.,Rumrill, S.,Pople, D.,Zalloum, W.A.,Kang, D.,Zhao, F.,Ji, X.,Gao, Z.,Hu, L.,Wang, Z.,Xie, M.,De Clercq, E.,Ruiz, F.X.,Arnold, E.,Pannecouque, C.,Liu, X.,Zhan, P.; Discovery of diarylpyrimidine derivatives bearing piperazine sulfonyl as potent HIV-1 nonnucleoside reverse transcriptase inhibitors.; Commun Chem, 6:83-83, 2023; PubMed: 37120482; DOI: 10.1038/s42004-023-00888-4

Experimental method

X-RAY DIFFRACTION (2.5 Å)