6MBO

GLP Methyltransferase with Inhibitor EML741-P212121 Crystal Form

6MBO の概要

• エントリーDOI: 10.2210/pdb6mbo/pdb
• 分子名称: Histone-lysine N-methyltransferase EHMT1, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, ZINC ION, ... (6 entities in total)
• 機能のキーワード: histone, h3, methylation inhibition, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• 由来する生物種: Homo sapiens (Human)
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 64720.80

構造登録者

Horton, J.R.,Cheng, X. (登録日: 2018-08-30, 公開日: 2019-02-27, 最終更新日: 2023-10-11)

• 主引用文献: Milite, C.,Feoli, A.,Horton, J.R.,Rescigno, D.,Cipriano, A.,Pisapia, V.,Viviano, M.,Pepe, G.,Amendola, G.,Novellino, E.,Cosconati, S.,Cheng, X.,Castellano, S.,Sbardella, G.; Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.; J. Med. Chem., 62:2666-2689, 2019; PubMed: 30753076; DOI: 10.1021/acs.jmedchem.8b02008

実験手法

X-RAY DIFFRACTION (1.591 Å)