5DRT

Crystal structure of Dot1L in complex with inhibitor CPD2 [2-(2-(5-((2-chlorophenoxy)methyl)-1H-tetrazol-1-yl)acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide]

5DRT の概要

• エントリーDOI: 10.2210/pdb5drt/pdb
• 分子名称: Histone-lysine N-methyltransferase, H3 lysine-79 specific, 2-({5-[(2-chlorophenoxy)methyl]-1H-tetrazol-1-yl}acetyl)-N-(4-chlorophenyl)hydrazinecarboxamide, POTASSIUM ION, ... (4 entities in total)
• 機能のキーワード: inhibitor, complex, methyltransferase, transferase
• 由来する生物種: Homo sapiens (Human)
• 細胞内の位置: Nucleus : Q8TEK3
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 77824.79

構造登録者

Scheufler, C.,Gaul, C.,Be, C.,Moebitz, H. (登録日: 2015-09-16, 公開日: 2016-06-15, 最終更新日: 2024-01-10)

• 主引用文献: Chen, C.,Zhu, H.,Stauffer, F.,Caravatti, G.,Vollmer, S.,Machauer, R.,Holzer, P.,Mobitz, H.,Scheufler, C.,Klumpp, M.,Tiedt, R.,Beyer, K.S.,Calkins, K.,Guthy, D.,Kiffe, M.,Zhang, J.,Gaul, C.; Discovery of Novel Dot1L Inhibitors through a Structure-Based Fragmentation Approach.; Acs Med.Chem.Lett., 7:735-740, 2016; PubMed: 27563395; DOI: 10.1021/acsmedchemlett.6b00167

実験手法

X-RAY DIFFRACTION (2.69 Å)