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TitleDesign, synthesis and characterisation of a novel type II B-RAF paradox breaker inhibitor.
Journal, issue, pagesEur. J. Med. Chem., Vol. 250, Page 115231-115231, Year 2023
Publish dateJan 17, 2023 (structure data deposition date)
AuthorsArora, R. / Linders, J.T.M. / Aci-Seche, S. / Verheyen, T. / Van Heerde, E. / Brehmer, D. / Chaikuad, A. / Knapp, S. / Bonnet, P.
External linksEur. J. Med. Chem. / PubMed:36878151
MethodsX-ray diffraction
Resolution1.65 Å
Structure data

PDB-8c7x:
Crystal structure of BRAF in complex with a hybrid compound 6
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

PDB-8c7y:
Crystal structure of BRAF V600E in complex with a hybrid compound 6
Method: X-RAY DIFFRACTION / Resolution: 1.65 Å

Chemicals

ChemComp-EDO:
1,2-ETHANEDIOL

ChemComp-BR:
BROMIDE ION

ChemComp-TXV:
~{N}-[3-[(5-chloranyl-1~{H}-pyrrolo[2,3-b]pyridin-3-yl)carbonyl]-2,4-bis(fluoranyl)phenyl]-3-(2-cyanopropan-2-yl)benzamide

ChemComp-HOH:
WATER

ChemComp-NO3:
NITRATE ION

Source
  • homo sapiens (human)
KeywordsTRANSFERASE / BRAF / kinase / kinase inhibitor / Structural Genomics / Structural Genomics Consortium / SGC

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