5EMJ

Crystal structure of PRMT5:MEP50 with Compound 8 and sinefungin

5EMJ の概要

• エントリーDOI: 10.2210/pdb5emj/pdb
• 関連するPDBエントリー: 5EMK 5EML 5EMM
• 分子名称: Protein arginine N-methyltransferase 5, Methylosome protein 50, SINEFUNGIN, ... (6 entities in total)
• 機能のキーワード: protein-inhibitor complex, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human); 詳細
• 細胞内の位置: Cytoplasm : O14744; Nucleus: Q9BQA1
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 112789.31

構造登録者

Boriack-Sjodin, P.A.,Jin, L. (登録日: 2015-11-06, 公開日: 2016-02-24, 最終更新日: 2024-10-23)

主引用文献

Duncan, K.W.,Rioux, N.,Boriack-Sjodin, P.A.,Munchhof, M.J.,Reiter, L.A.,Majer, C.R.,Jin, L.,Johnston, L.D.,Chan-Penebre, E.,Kuplast, K.G.,Porter Scott, M.,Pollock, R.M.,Waters, N.J.,Smith, J.J.,Moyer, M.P.,Copeland, R.A.,Chesworth, R.
Structure and Property Guided Design in the Identification of PRMT5 Tool Compound EPZ015666.
ACS Med Chem Lett, 7:162-166, 2016

PubMed Abstract: The recent publication of a potent and selective inhibitor of protein methyltransferase 5 (PRMT5) provides the scientific community with in vivo-active tool compound EPZ015666 (GSK3235025) to probe the underlying pharmacology of this key enzyme. Herein, we report the design and optimization strategies employed on an initial hit compound with poor in vitro clearance to yield in vivo tool compound EPZ015666 and an additional potent in vitro tool molecule EPZ015866 (GSK3203591).

PubMed: 26985292
DOI: 10.1021/acsmedchemlett.5b00380

実験手法

X-RAY DIFFRACTION (2.273 Å)