6MBP

GLP Methyltransferase with Inhibitor EML741- P3121 Crystal Form

Summary for 6MBP

• Entry DOI: 10.2210/pdb6mbp/pdb
• Descriptor: Histone-lysine N-methyltransferase EHMT1, 2-cyclohexyl-7-methoxy-N-[1-(propan-2-yl)piperidin-4-yl]-8-[3-(pyrrolidin-1-yl)propoxy]-3H-1,4-benzodiazepin-5-amine, ZINC ION, ... (6 entities in total)
• Functional Keywords: histone, h3, methylation inhibition, transferase, transferase-transferase inhbitor complex, transferase/transferase inhbitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 63549.16

Authors

Horton, J.R.,Cheng, X. (deposition date: 2018-08-30, release date: 2019-02-27, Last modification date: 2023-10-11)

• Primary citation: Milite, C.,Feoli, A.,Horton, J.R.,Rescigno, D.,Cipriano, A.,Pisapia, V.,Viviano, M.,Pepe, G.,Amendola, G.,Novellino, E.,Cosconati, S.,Cheng, X.,Castellano, S.,Sbardella, G.; Discovery of a Novel Chemotype of Histone Lysine Methyltransferase EHMT1/2 (GLP/G9a) Inhibitors: Rational Design, Synthesis, Biological Evaluation, and Co-crystal Structure.; J. Med. Chem., 62:2666-2689, 2019; PubMed: 30753076; DOI: 10.1021/acs.jmedchem.8b02008

Experimental method

X-RAY DIFFRACTION (1.947 Å)