4I2P

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

4I2P の概要

• エントリーDOI: 10.2210/pdb4i2p/pdb
• 分子名称: 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)
• 機能のキーワード: 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
• 由来する生物種: Human immunodeficiency virus type 1 BH10 (HIV-1); 詳細
• 細胞内の位置: 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
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 114440.18

構造登録者

Patel, D.,Bauman, J.D.,Das, K.,Arnold, E. (登録日: 2012-11-22, 公開日: 2013-01-16, 最終更新日: 2024-02-28)

主引用文献

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

実験手法

X-RAY DIFFRACTION (2.2964 Å)