5JRQ

BRAFV600E Kinase Domain In Complex with Chemically Linked Vemurafenib Inhibitor VEM-6-VEM

Summary for 5JRQ

• Entry DOI: 10.2210/pdb5jrq/pdb
• Related: 5JSM 5JT2
• Descriptor: Serine/threonine-protein kinase B-raf, N-{2,4-difluoro-3-[5-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine-3-carbonyl]phenyl}propane-1-sulfonamide, DIMETHYL SULFOXIDE, ... (6 entities in total)
• Functional Keywords: kinase, dimer, transferase-transferase inhibitor complex, transferase/transferase inhibitor
• Biological source: Homo sapiens (Human)
• Total number of polymer chains: 2
• Total formula weight: 65126.64

Authors

Grasso, M.J.,Marmorstein, R. (deposition date: 2016-05-06, release date: 2016-09-14, Last modification date: 2023-10-18)

• Primary citation: Grasso, M.,Estrada, M.A.,Ventocilla, C.,Samanta, M.,Maksimoska, J.,Villanueva, J.,Winkler, J.D.,Marmorstein, R.; Chemically Linked Vemurafenib Inhibitors Promote an Inactive BRAF(V600E) Conformation.; Acs Chem.Biol., 11:2876-2888, 2016; PubMed: 27571413; DOI: 10.1021/acschembio.6b00529

Experimental method

X-RAY DIFFRACTION (2.287 Å)