5DSX
Crystal structure of Dot1L in complex with inhibitor CPD10 [6'-chloro-1,4-dimethyl-5'-(2-methyl-6-((4-(methylamino)pyrimidin-2-yl)amino)-1H-indol-1-yl)-[3,3'-bipyridin]-2(1H)-one]
Summary for 5DSX
Entry DOI | 10.2210/pdb5dsx/pdb |
Descriptor | Histone-lysine N-methyltransferase, H3 lysine-79 specific, POTASSIUM ION, 6'-chloro-1,4-dimethyl-5'-(2-methyl-6-{[4-(methylamino)pyrimidin-2-yl]amino}-1H-indol-1-yl)-3,3'-bipyridin-2(1H)-one, ... (4 entities in total) |
Functional Keywords | inhibitor, complex, transferase |
Biological source | Homo sapiens (Human) |
Cellular location | Nucleus : Q8TEK3 |
Total number of polymer chains | 2 |
Total formula weight | 77963.32 |
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: 27563395DOI: 10.1021/acsmedchemlett.6b00167 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.41 Å) |
Structure validation
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