4WVL

Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement

Summary for 4WVL

Entry DOI	10.2210/pdb4wvl/pdb
Descriptor	Histone-lysine N-methyltransferase, H3 lysine-79 specific, N-[4-(acetylamino)butyl]-5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, SULFATE ION, ... (6 entities in total)
Functional Keywords	dot1l, methyltransferase, inhibitor, leukemia, transferase-transferase inhibitor complex, transferase/transferase inhibitor
Biological source	Homo sapiens (Human)
Cellular location	Nucleus : Q8TEK3
Total number of polymer chains	1
Total formula weight	41539.08
Authors	Xu, X.,Dhe-Paganon, S.,Blacklow, S. (deposition date: 2014-11-06, release date: 2014-12-03, Last modification date: 2023-09-27)
Primary citation	Yi, J.S.,Federation, A.J.,Qi, J.,Dhe-Paganon, S.,Hadler, M.,Xu, X.,St Pierre, R.,Varca, A.C.,Wu, L.,Marineau, J.J.,Smith, W.B.,Souza, A.,Chory, E.J.,Armstrong, S.A.,Bradner, J.E. Structure-Guided DOT1L Probe Optimization by Label-Free Ligand Displacement. Acs Chem.Biol., 10:667-674, 2015 Cited by PubMed: 25397901 DOI: 10.1021/cb500796d PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.41 Å)

Structure validation