5FE5

Crystal structure of human PCAF bromodomain in complex with fragment MB093 (fragment 7)

5FE5 の概要

• エントリーDOI: 10.2210/pdb5fe5/pdb
• 分子名称: Histone acetyltransferase KAT2B, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ... (5 entities in total)
• 機能のキーワード: signaling protein, bromodomain, histone acetyltransferase kat2b, histone, acetylation, acetyllysine, epigenetics, structural genomics consortium (sgc)
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : Q92831
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 29234.81

構造登録者

Chaikuad, A.,von Delft, F.,Bountra, C.,Arrowsmith, C.H.,Edwards, A.M.,Knapp, S.,Structural Genomics Consortium (SGC) (登録日: 2015-12-16, 公開日: 2016-01-13, 最終更新日: 2024-01-10)

主引用文献

Chaikuad, A.,Lang, S.,Brennan, P.E.,Temperini, C.,Fedorov, O.,Hollander, J.,Nachane, R.,Abell, C.,Muller, S.,Siegal, G.,Knapp, S.
Structure-Based Identification of Inhibitory Fragments Targeting the p300/CBP-Associated Factor Bromodomain.
J.Med.Chem., 59:1648-1653, 2016

PubMed Abstract: The P300/CBP-associated factor plays a central role in retroviral infection and cancer development, and the C-terminal bromodomain provides an opportunity for selective targeting. Here, we report several new classes of acetyl-lysine mimetic ligands ranging from mM to low micromolar affinity that were identified using fragment screening approaches. The binding modes of the most attractive fragments were determined using high resolution crystal structures providing chemical starting points and structural models for the development of potent and selective PCAF inhibitors.

PubMed: 26731131
DOI: 10.1021/acs.jmedchem.5b01719

実験手法

X-RAY DIFFRACTION (2.12 Å)