4I2P

Crystal structure of HIV-1 reverse transcriptase in complex with rilpivirine (TMC278) based analogue

Summary for 4I2P

• Entry DOI: 10.2210/pdb4i2p/pdb
• Descriptor: Gag-Pol polyprotein, (2E)-3-[4-({6-[(4-methoxyphenyl)amino]-7H-purin-2-yl}amino)-3,5-dimethylphenyl]prop-2-enenitrile, ... (4 entities in total)
• Functional Keywords: p51/p66, hetero dimer, nnrti, nonnucleoside inhibitor, aids, hiv, dna recombination, rna-directed dna polymerase, dna polymerase, endonuclease, hydrolase, multifunctional enzyme, transferase, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Human immunodeficiency virus type 1 BH10 (HIV-1); More
• Cellular location: Gag-Pol polyprotein: Host cell membrane; Lipid-anchor. Matrix protein p17: Virion membrane; Lipid- anchor . Capsid protein p24: Virion . Nucleocapsid protein p7: Virion . Reverse transcriptase/ribonuclease H: Virion . Integrase: Virion : P03366 P03366
• Total number of polymer chains: 2
• Total formula weight: 114440.18

Authors

Patel, D.,Bauman, J.D.,Das, K.,Arnold, E. (deposition date: 2012-11-22, release date: 2013-01-16, Last modification date: 2024-02-28)

Primary citation

Johnson, B.C.,Pauly, G.T.,Rai, G.,Patel, D.,Bauman, J.D.,Baker, H.L.,Das, K.,Schneider, J.P.,Maloney, D.J.,Arnold, E.,Thomas, C.J.,Hughes, S.H.
A comparison of the ability of rilpivirine (TMC278) and selected analogues to inhibit clinically relevant HIV-1 reverse transcriptase mutants.
Retrovirology, 9:99-99, 2012

PubMed Abstract: The recently approved anti-AIDS drug rilpivirine (TMC278, Edurant) is a nonnucleoside inhibitor (NNRTI) that binds to reverse transcriptase (RT) and allosterically blocks the chemical step of DNA synthesis. In contrast to earlier NNRTIs, rilpivirine retains potency against well-characterized, clinically relevant RT mutants. Many structural analogues of rilpivirine are described in the patent literature, but detailed analyses of their antiviral activities have not been published. This work addresses the ability of several of these analogues to inhibit the replication of wild-type (WT) and drug-resistant HIV-1.

PubMed: 23217210
DOI: 10.1186/1742-4690-9-99

Experimental method

X-RAY DIFFRACTION (2.2964 Å)