5DT2

Crystal structure of Dot1L in complex with inhibitor CPD11 [N4-methyl-N2-(2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl)pyrimidine-2,4-diamine]

Summary for 5DT2

Entry DOI	10.2210/pdb5dt2/pdb
Descriptor	Histone-lysine N-methyltransferase, H3 lysine-79 specific, N~4~-methyl-N~2~-[2-methyl-1-(2-phenoxyphenyl)-1H-indol-6-yl]pyrimidine-2,4-diamine, SULFATE 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	78140.43
Authors	Scheufler, C.,Gaul, C.,Be, C.,Moebitz, H. (deposition date: 2015-09-17, 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 Cited by PubMed: 27563395 DOI: 10.1021/acsmedchemlett.6b00167 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.3 Å)

Structure validation