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: 26039570 DOI: 10.1021/acs.jmedchem.5b00424 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (2.95 Å)

Structure validation