5ARG

SMYD2 in complex with SGC probe BAY-598

Summary for 5ARG

• Entry DOI: 10.2210/pdb5arg/pdb
• Descriptor: N-LYSINE METHYLTRANSFERASE SMYD2, ZINC ION, N-[1-(N'-CYANO-N-[3-(DIFLUOROMETHOXY)PHENYL]CARBAMIMIDOYL)-3-(3,4-DICHLOROPHENYL)-4,5-DIHYDRO-1H-PYRAZOL-4-YL]-N-ETHYL-2-HYDROXYACETAMIDE, ... (6 entities in total)
• Functional Keywords: transferase, oxidoreductase, methyltransferase, set domain, small molecule inhibitor, sgc probe, drug target
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 1
• Total formula weight: 50898.05

Authors

Hillig, R.C.,Badock, V.,Barak, N.,Stellfeld, T.,Eggert, E.,ter Laak, A.,Weiske, J.,Christ, C.D.,Koehr, S.,Stoeckigt, D.,Mowat, J.,Mueller, T.,Fernandez-Montalvan, A.E.,Hartung, I.V.,Stresemann, C.,Brumby, T.,Weinmann, H. (deposition date: 2015-09-24, release date: 2016-04-27, Last modification date: 2024-01-10)

• Primary citation: Eggert, E.,Hillig, R.C.,Kohr, S.,Stockigt, D.,Weiske, J.,Barak, N.,Mowat, J.,Brumby, T.,Christ, C.D.,Ter Laak, A.,Lang, T.,Fernandez-Montalvan, A.E.,Badock, V.,Weinmann, H.,Hartung, I.V.,Barsyte-Lovejoy, D.,Szewczyk, M.,Kennedy, S.,Li, F.,Vedadi, M.,Brown, P.J.,Santhakumar, V.,Arrowsmith, C.H.,Stellfeld, T.,Stresemann, C.; Discovery and Characterization of a Highly Potent and Selective Aminopyrazoline-Based in Vivo Probe (Bay-598) for the Protein Lysine Methyltransferase Smyd2.; J.Med.Chem., 59:4578-, 2016; PubMed: 27075367; DOI: 10.1021/ACS.JMEDCHEM.5B01890

Experimental method

X-RAY DIFFRACTION (1.99 Å)