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]

Summary for 5DRT

• Entry DOI: 10.2210/pdb5drt/pdb
• Descriptor: 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)
• Functional Keywords: inhibitor, complex, methyltransferase, transferase
• Biological source: Homo sapiens (Human)
• Cellular location: Nucleus : Q8TEK3
• Total number of polymer chains: 2
• Total formula weight: 77824.79

Authors

Scheufler, C.,Gaul, C.,Be, C.,Moebitz, H. (deposition date: 2015-09-16, release date: 2016-06-15, Last modification date: 2024-01-10)

• Primary citation: 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

Experimental method

X-RAY DIFFRACTION (2.69 Å)