5BML
ROCK 1 bound to a pyridine thiazole inhibitor
Summary for 5BML
Entry DOI | 10.2210/pdb5bml/pdb |
Descriptor | Rho-associated protein kinase 1, N-[4-(2-fluoropyridin-4-yl)thiophen-2-yl]-2-{3-[(methylsulfonyl)amino]phenyl}acetamide (3 entities in total) |
Functional Keywords | kinase, dimer, dimerization, myosin, transferase-transferase inhibitor complex, transferase/transferase inhibitor |
Biological source | Homo sapiens (Human) |
Cellular location | Cytoplasm: Q13464 |
Total number of polymer chains | 2 |
Total formula weight | 96835.50 |
Authors | Jacobs, M.D. (deposition date: 2015-05-22, release date: 2015-06-10, Last modification date: 2024-03-06) |
Primary citation | Green, J.,Cao, J.,Bandarage, U.K.,Gao, H.,Court, J.,Marhefka, C.,Jacobs, M.,Taslimi, P.,Newsome, D.,Nakayama, T.,Shah, S.,Rodems, S. Design, Synthesis, and Structure-Activity Relationships of Pyridine-Based Rho Kinase (ROCK) Inhibitors. J.Med.Chem., 58:5028-5037, 2015 Cited by PubMed: 26039570DOI: 10.1021/acs.jmedchem.5b00424 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.95 Å) |
Structure validation
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