6DMJ
A multiconformer ligand model of inhibitor 53W bound to CREB binding protein bromodomain
Summary for 6DMJ
Entry DOI | 10.2210/pdb6dmj/pdb |
Descriptor | Bromodomain-containing protein 4, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole (3 entities in total) |
Functional Keywords | complex, multiconformer model, inhibitor, transcription, transcription-transcription inhibitor complex, transcription/transcription inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 15559.95 |
Authors | Hudson, B.M.,van Zundert, G.,Keedy, D.A.,Fonseca, R.,Heliou, A.,Suresh, P.,Borrelli, K.,Day, T.,Fraser, J.S.,van den Bedem, H. (deposition date: 2018-06-05, release date: 2018-12-19, Last modification date: 2024-05-01) |
Primary citation | van Zundert, G.C.P.,Hudson, B.M.,de Oliveira, S.H.P.,Keedy, D.A.,Fonseca, R.,Heliou, A.,Suresh, P.,Borrelli, K.,Day, T.,Fraser, J.S.,van den Bedem, H. qFit-ligand Reveals Widespread Conformational Heterogeneity of Drug-Like Molecules in X-Ray Electron Density Maps. J. Med. Chem., 61:11183-11198, 2018 Cited by PubMed: 30457858DOI: 10.1021/acs.jmedchem.8b01292 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.15 Å) |
Structure validation
Download full validation report