6PAF

Co-crystal Structure of human SMYD3 with Isoxazole Amides Inhibitors

Summary for 6PAF

Entry DOI	10.2210/pdb6paf/pdb
Related	6P6G 6P6K 6P7Z
Descriptor	Histone-lysine N-methyltransferase SMYD3, ZINC ION, MAGNESIUM ION, ... (7 entities in total)
Functional Keywords	methyltransferase, oncology, inhibitor, transferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Total number of polymer chains	1
Total formula weight	50774.46
Authors	Elkins, P.A.,Wang, L. (deposition date: 2019-06-11, release date: 2020-01-15, Last modification date: 2023-10-11)
Primary citation	Su, D.S.,Qu, J.,Schulz, M.,Blackledge, C.W.,Yu, H.,Zeng, J.,Burgess, J.,Reif, A.,Stern, M.,Nagarajan, R.,Pappalardi, M.B.,Wong, K.,Graves, A.P.,Bonnette, W.,Wang, L.,Elkins, P.,Knapp-Reed, B.,Carson, J.D.,McHugh, C.,Mohammad, H.,Kruger, R.,Luengo, J.,Heerding, D.A.,Creasy, C.L. Discovery of Isoxazole Amides as Potent and Selective SMYD3 Inhibitors. Acs Med.Chem.Lett., 11:133-140, 2020 Cited by PubMed: 32071679 DOI: 10.1021/acsmedchemlett.9b00493 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.241 Å)

Structure validation