4CQE

B-Raf Kinase V600E mutant in complex with a diarylthiazole B-Raf Inhibitor

Summary for 4CQE

• Entry DOI: 10.2210/pdb4cqe/pdb
• Descriptor: SLC45A3-BRAF FUSION PROTEIN, N-{4-[2-(1-cyclopropylpiperidin-4-yl)-4-(3-{[(2,5-difluorophenyl)sulfonyl]amino}-2-fluorophenyl)-1,3-thiazol-5-yl]pyridin-2-yl}acetamide (3 entities in total)
• Functional Keywords: transferase, inhibitor complex
• Biological source: HOMO SAPIENS (HUMAN)
• Total number of polymer chains: 2
• Total formula weight: 64481.88

Authors

Casale, E.,Fasolini, M.,Pulici, M.,Traquandi, G.,Marchionni, C.,Modugno, M.,Lupi, R.,Amboldi, N.,Colombo, N.,Corti, L.,Gasparri, F.,Pastori, W.,Scolaro, A.,Donati, D.,Felder, E.,Galvani, A.,Isacchi, A.,Pesenti, E.,Ciomei, M. (deposition date: 2014-02-14, release date: 2014-12-10, Last modification date: 2023-12-20)

• Primary citation: Pulici, M.,Traquandi, G.,Marchionni, C.,Modugno, M.,Lupi, R.,Amboldi, N.,Casale, E.,Colombo, N.,Corti, L.,Fasolini, M.,Gasparri, F.,Pastori, W.,Scolaro, A.,Donati, D.,Felder, E.,Galvani, A.,Isacchi, A.,Pesenti, E.,Ciomei, M.; Optimization of Diarylthiazole B-Raf Inhibitors: Identification of a Compound Endowed with High Oral Antitumor Activity, Mitigated Herg Inhibition, and Low Paradoxical Effect.; Chemmedchem, 10:276-, 2015; PubMed: 25430902; DOI: 10.1002/CMDC.201402424

Experimental method

X-RAY DIFFRACTION (2.3 Å)