7C9N

Crystal structure of SETDB1 tudor domain in complexed with Compound 1.

Summary for 7C9N

Entry DOI	10.2210/pdb7c9n/pdb
Descriptor	Histone-lysine N-methyltransferase SETDB1, 3,5-dimethyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]pyrrolo[3,2-d]pyrimidin-4-one (3 entities in total)
Functional Keywords	gene regulation-inhibitor complex, gene regulation/inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	2
Total formula weight	55929.99
Authors	Guo, Y.,Xiong, L.,Mao, X.,Yang, S. (deposition date: 2020-06-06, release date: 2021-04-07, Last modification date: 2023-11-29)
Primary citation	Guo, Y.,Mao, X.,Xiong, L.,Xia, A.,You, J.,Lin, G.,Wu, C.,Huang, L.,Wang, Y.,Yang, S. Structure-Guided Discovery of a Potent and Selective Cell-Active Inhibitor of SETDB1 Tudor Domain. Angew.Chem.Int.Ed.Engl., 60:8760-8765, 2021 Cited by PubMed: 33511756 DOI: 10.1002/anie.202017200 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.472 Å)

Structure validation