7CD9

Crystal Structure of SETDB1 tudor domain in complexed with Compound 6

Summary for 7CD9

• Entry DOI: 10.2210/pdb7cd9/pdb
• Descriptor: Histone-lysine N-methyltransferase SETDB1, 3-methyl-2-[[(3R,5R)-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-5H-pyrrolo[3,2-d]pyrimidin-4-one, CITRIC ACID, ... (4 entities in total)
• Functional Keywords: setdb1, tudor domain, inhibitor, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 56498.43

Authors

Xiong, L.,Guo, Y.,Mao, X.,Huang, L.,Wu, C.,Yang, S. (deposition date: 2020-06-19, 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; PubMed: 33511756; DOI: 10.1002/anie.202017200

Experimental method

X-RAY DIFFRACTION (1.6 Å)