6DAI
Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design
Summary for 6DAI
Entry DOI | 10.2210/pdb6dai/pdb |
Descriptor | WD repeat-containing protein 5, DIMETHYL SULFOXIDE, 6-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)-1-methylindoline, ... (4 entities in total) |
Functional Keywords | wdr5, win-site, fragment screening, structure-based design, mixed-lineage leukemia, dna binding protein, dna binding protein-inhibitor complex, dna binding protein/inhibitor |
Biological source | Homo sapiens (Human) |
Total number of polymer chains | 1 |
Total formula weight | 35025.89 |
Authors | Phan, J.,Fesik, S.W. (deposition date: 2018-05-01, release date: 2018-09-05, Last modification date: 2023-10-04) |
Primary citation | Wang, F.,Jeon, K.O.,Salovich, J.M.,Macdonald, J.D.,Alvarado, J.,Gogliotti, R.D.,Phan, J.,Olejniczak, E.T.,Sun, Q.,Wang, S.,Camper, D.,Yuh, J.P.,Shaw, J.G.,Sai, J.,Rossanese, O.W.,Tansey, W.P.,Stauffer, S.R.,Fesik, S.W. Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61:5623-5642, 2018 Cited by PubMed: 29889518DOI: 10.1021/acs.jmedchem.8b00375 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.63 Å) |
Structure validation
Download full validation report