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6IJL

Crystal structure of SmyD3 in complex with covalent inhibitor 5

Summary for 6IJL
Entry DOI10.2210/pdb6ijl/pdb
Related5XXD 5XXG 5XXJ 5YJO
DescriptorHistone-lysine N-methyltransferase SMYD3, propyl (2~{R})-4-[2-[4-(1-azanylcyclopropyl)phenyl]quinolin-7-yl]carbonyl-2-methyl-piperazine-1-carboxylate, ZINC ION, ... (5 entities in total)
Functional Keywordscovalent inhibitor, methyltransferase, methyltransferase inhibitor, transferase-inhibitor complex, transferase/inhibitor
Biological sourceHomo sapiens (Human)
Total number of polymer chains1
Total formula weight50245.36
Authors
Baburajendran, N.,Joy, J. (deposition date: 2018-10-10, release date: 2019-08-14, Last modification date: 2024-03-27)
Primary citationHuang, 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
Cited by
PubMed: 31223458
DOI: 10.1021/acsmedchemlett.9b00170
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (2.351 Å)
Structure validation

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