8VK6

14alpha-demethylase (CYP51) with amide-linked long arm extension antifungal azole inhibitor

This is a non-PDB format compatible entry.

Summary for 8VK6

• Entry DOI: 10.2210/pdb8vk6/pdb
• Descriptor: Lanosterol 14-alpha demethylase, PROTOPORPHYRIN IX CONTAINING FE, N-[(2S)-2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl]-4'-(trifluoromethoxy)[1,1'-biphenyl]-4-carboxamide, ... (6 entities in total)
• Functional Keywords: amide-linked azole inhibitor, cyp51, oxidoreductase-inhibitor complex, oxidoreductase/inhibitor
• Biological source: Saccharomyces cerevisiae YJM789 (Baker's yeast)
• Total number of polymer chains: 1
• Total formula weight: 63769.03

Authors

Tyndall, J.D.A.,Monk, B.C.,Simons, C. (deposition date: 2024-01-08, release date: 2025-01-15)

• Primary citation: Alsulaimany, M.,Keniya, M.V.,Alanzi, R.,Ruma, Y.N.,Tyndall, J.D.A.,Parker, J.,Monk, B.C.,Simons, C.; Exploring long arm amide linked extensions in the design of 14alpha-demethylase (CYP51) antifungal azole inhibitors; To Be Published,

Experimental method

X-RAY DIFFRACTION (1.89 Å)