5YJO

Crystal structure of SmyD3 in complex with covalent inhibitor 4

Summary for 5YJO

• Entry DOI: 10.2210/pdb5yjo/pdb
• Descriptor: Histone-lysine N-methyltransferase SMYD3, ZINC ION, propyl (3~{S})-4-[[(6~{R})-6-(aminomethyl)-5,6,7,8-tetrahydroacridin-3-yl]carbonyl]-3-methyl-piperazine-1-carboxylate, ... (5 entities in total)
• Functional Keywords: covalent inhibitor, methyltransferase, methyltransferase inhibitor, transferase-inhibitor complex, transferase/inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 1
• Total formula weight: 49621.66

Authors

Baburajendran, N.,Anna E, J. (deposition date: 2017-10-11, release date: 2018-10-17, Last modification date: 2019-07-10)

• Primary citation: Huang, C.,Liew, S.S.,Lin, G.R.,Poulsen, A.,Ang, M.J.Y.,Chia, B.C.S.,Chew, S.Y.,Kwek, Z.P.,Wee, J.L.K.,Ong, E.H.,Retna, P.,Baburajendran, N.,Li, R.,Yu, W.,Koh-Stenta, X.,Ngo, A.,Manesh, S.,Fulwood, J.,Ke, Z.,Chung, H.H.,Sepramaniam, S.,Chew, X.H.,Dinie, N.,Lee, M.A.,Chew, Y.S.,Low, C.B.,Pendharkar, V.,Manoharan, V.,Vuddagiri, S.,Sangthongpitag, K.,Joy, J.,Matter, A.,Hill, J.,Keller, T.H.,Foo, K.; Discovery of Irreversible Inhibitors Targeting Histone Methyltransferase, SMYD3.; Acs Med.Chem.Lett., 10:978-984, 2019; PubMed: 31223458; DOI: 10.1021/acsmedchemlett.9b00170

Experimental method

X-RAY DIFFRACTION (2.135 Å)