4EWH
Co-crystal structure of ACK1 with inhibitor
Summary for 4EWH
Entry DOI | 10.2210/pdb4ewh/pdb |
Descriptor | Activated CDC42 kinase 1, 6-{4-[2-(dimethylamino)ethoxy]phenyl}-N-(1,3-dithiolan-2-ylmethyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (3 entities in total) |
Functional Keywords | drug design, enzyme inhibitors, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (human) |
Cellular location | Cell membrane: Q07912 |
Total number of polymer chains | 2 |
Total formula weight | 63989.91 |
Authors | Liu, J.,Walker, N.,Wang, Z. (deposition date: 2012-04-27, release date: 2012-09-19, Last modification date: 2012-10-31) |
Primary citation | Jiao, X.,Kopecky, D.J.,Liu, J.,Liu, J.,Jaen, J.C.,Cardozo, M.G.,Sharma, R.,Walker, N.,Wesche, H.,Li, S.,Farrelly, E.,Xiao, S.H.,Wang, Z.,Kayser, F. Synthesis and optimization of substituted furo[2,3-d]-pyrimidin-4-amines and 7H-pyrrolo[2,3-d]pyrimidin-4-amines as ACK1 inhibitors. Bioorg.Med.Chem.Lett., 22:6212-6217, 2012 Cited by PubMed: 22929232DOI: 10.1016/j.bmcl.2012.08.020 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.5 Å) |
Structure validation
Download full validation report