4EKI

Crystal Structure of DOT1L in complex with EPZ004777

Summary for 4EKI

• Entry DOI: 10.2210/pdb4eki/pdb
• Related: 3QOW 4EK9 4EKG
• Descriptor: Histone-lysine N-methyltransferase, H3 lysine-79 specific, 7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, SULFATE ION, ... (4 entities in total)
• Functional Keywords: methyltransferase, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (human)
• Cellular location: Nucleus (Probable): Q8TEK3
• Total number of polymer chains: 1
• Total formula weight: 49394.09

Authors

Jin, L. (deposition date: 2012-04-09, release date: 2012-10-17, Last modification date: 2023-09-13)

• Primary citation: Basavapathruni, A.,Jin, L.,Daigle, S.R.,Majer, C.R.,Therkelsen, C.A.,Wigle, T.J.,Kuntz, K.W.,Chesworth, R.,Pollock, R.M.,Scott, M.P.,Moyer, M.P.,Richon, V.M.,Copeland, R.A.,Olhava, E.J.; Conformational adaptation drives potent, selective and durable inhibition of the human protein methyltransferase DOT1L.; Chem.Biol.Drug Des., 80:971-980, 2012; PubMed: 22978415; DOI: 10.1111/cbdd.12050

Experimental method

X-RAY DIFFRACTION (2.85 Å)