1WUG

complex structure of PCAF bromodomain with small chemical ligand NP1

1WUG の概要

• エントリーDOI: 10.2210/pdb1wug/pdb
• 関連するPDBエントリー: 1B91 1JM4 1WUM
• NMR情報: BMRB: 6508
• 分子名称: Histone acetyltransferase PCAF, N-(3-AMINOPROPYL)-4-METHYL-2-NITROBENZENAMINE (2 entities in total)
• 機能のキーワード: bromodomain, histone-acetyltransferase, nmr-structure, chemical ligand, transferase
• 由来する生物種: Homo sapiens (human)
• 細胞内の位置: Nucleus (By similarity): Q92831
• タンパク質・核酸の鎖数: 1
• 化学式量合計: 14261.47

構造登録者

Zeng, L.,Li, J.,Muller, M.,Yan, S.,Mujtaba, S.,Pan, C.,Wang, Z.,Zhou, M.M. (登録日: 2004-12-07, 公開日: 2005-08-16, 最終更新日: 2024-05-29)

主引用文献

Zeng, L.,Li, J.,Muller, M.,Yan, S.,Mujtaba, S.,Pan, C.,Wang, Z.,Zhou, M.M.
Selective small molecules blocking HIV-1 Tat and coactivator PCAF association
J.Am.Chem.Soc., 127:2376-2377, 2005

PubMed Abstract: Development of drug resistance from mutations in the targeted viral proteins leads to continuation of viral production by chronically infected cells, contributing to HIV-mediated immune dysfunction. Targeting a host cell protein essential for viral reproduction, rather than a viral protein, may minimize the viral drug resistance problem as observed with HIV protease inhibitors. We report here the development of a novel class of N1-aryl-propane-1,3-diamine compounds using a structure-based approach that selectively inhibit the activity of the bromodomain of the human transcriptional co-activator PCAF, of which association with the HIV trans-activator Tat is essential for transcription and replication of the integrated HIV provirus.

PubMed: 15724976
DOI: 10.1021/ja044885g

実験手法

SOLUTION NMR