4WUY

Crystal Structure of Protein Lysine Methyltransferase SMYD2 in complex with LLY-507, a Cell-Active, Potent and Selective Inhibitor

Summary for 4WUY

Entry DOI	10.2210/pdb4wuy/pdb
Descriptor	N-lysine methyltransferase SMYD2, 5-cyano-2'-{4-[2-(3-methyl-1H-indol-1-yl)ethyl]piperazin-1-yl}-N-[3-(pyrrolidin-1-yl)propyl]biphenyl-3-carboxamide, S-ADENOSYL-L-HOMOCYSTEINE, ... (6 entities in total)
Functional Keywords	smyd2 - lly-507, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Cytoplasm, cytosol : Q9NRG4
Total number of polymer chains	1
Total formula weight	52272.22
Authors	Nguyen, H.,Allali-Hassani, A.,Antonysamy, S.,Chang, S.,Chen, L.H.,Curtis, C.,Emtage, S.,Fan, L.,Gheyi, T.,Li, F.,Liu, S.,Martin, J.R.,Mendel, D.,Olsen, J.B.,Pelletier, L.,Shatseva, T.,Wu, S.,Zhang, F.F.,Arrowsmith, C.H.,Brown, P.J.,Campbell, R.M.,Garcia, B.A.,Barsyte-Lovejoy, D.,Mader, M.,Vedadi, M. (deposition date: 2014-11-04, release date: 2015-04-08, Last modification date: 2023-12-27)
Primary citation	Nguyen, H.,Allali-Hassani, A.,Antonysamy, S.,Chang, S.,Chen, L.H.,Curtis, C.,Emtage, S.,Fan, L.,Gheyi, T.,Li, F.,Liu, S.,Martin, J.R.,Mendel, D.,Olsen, J.B.,Pelletier, L.,Shatseva, T.,Wu, S.,Zhang, F.F.,Arrowsmith, C.H.,Brown, P.J.,Campbell, R.M.,Garcia, B.A.,Barsyte-Lovejoy, D.,Mader, M.,Vedadi, M. LLY-507, a Cell-active, Potent, and Selective Inhibitor of Protein-lysine Methyltransferase SMYD2. J.Biol.Chem., 290:13641-13653, 2015 Cited by PubMed: 25825497 DOI: 10.1074/jbc.M114.626861 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.63 Å)

Structure validation