7CJT

Crystal Structure of SETDB1 Tudor domain in complexed with (R,R)-59

Summary for 7CJT

• Entry DOI: 10.2210/pdb7cjt/pdb
• Descriptor: Histone-lysine N-methyltransferase SETDB1, 2-[[(3~{R},5~{R})-1-methyl-5-(4-phenylmethoxyphenyl)piperidin-3-yl]amino]-3-prop-2-enyl-5~{H}-pyrrolo[3,2-d]pyrimidin-4-one (3 entities in total)
• Functional Keywords: setdb1, tudor domian, inhibitor, transferase
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 4
• Total formula weight: 112332.52

Authors

Guo, Y.P.,Liang, X.,Mao, X.,Wu, C.,Luyi, H.,Yang, S. (deposition date: 2020-07-13, release date: 2021-04-14, 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 (2.474 Å)