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Literature summary for 1.14.14.154 extracted from

  • Podust, L.M.; von Kries, J.P.; Eddine, A.N.; Kim, Y.; Yermalitskaya, L.V.; Kuehne, R.; Ouellet, H.; Warrier, T.; Altekoester, M.; Lee, J.S.; Rademann, J.; Oschkinat, H.; Kaufmann, S.H.; Waterman, M.R.
    Small-molecule scaffolds for CYP51 inhibitors identified by high-throughput screening and defined by X-ray crystallography (2007), Antimicrob. Agents Chemother., 51, 3915-3923.
    View publication on PubMedView publication on EuropePMC

Application

Application Comment Organism
drug development CYP51 is a key target for fungal antibiotic therapy Mycobacterium tuberculosis
pharmacology CYP51 is a key target for fungal antibiotic therapy Mycobacterium tuberculosis

Crystallization (Commentary)

Crystallization (Comment) Organism
recombinant mutant C37L/C442A in complex with alpha-ethyl-N-4-pyridinyl-benzeneacetamide, protein is mixed with a ligand dissolved in DMSO at a 100 mM concentration to obtain a final protein concentration of 0.2 mM and a final ligand concentration of 1 to 5 mM, 15-30% PEG 4000, 2-12% isopropanol, 0.1 M HEPES, pH 7.5, X-ray diffraction at 1.53 A resolution Mycobacterium tuberculosis

Protein Variants

Protein Variants Comment Organism
C37L/C442A site-directed mutagenesis, structure determination Mycobacterium tuberculosis

Inhibitors

Inhibitors Comment Organism Structure
2-(benzo[d]-2,1,3-thiadiazole-4-sulfonyl)-2-amino-2-phenyl-N-(pyridinyl-4)-acetamide binding structure, overview Mycobacterium tuberculosis
alpha-ethyl-N-4-pyridinyl-benzeneacetamide binds to the non-heme iron, binding structure involving residues H259 and Y76, overview Mycobacterium tuberculosis
additional information specific inhibitor screening Mycobacterium tuberculosis

Localization

Localization Comment Organism GeneOntology No. Textmining
membrane
-
Mycobacterium tuberculosis 16020
-

Metals/Ions

Metals/Ions Comment Organism Structure
Fe2+ a cytochrome P450 enzyme, non-heme iron Mycobacterium tuberculosis

Natural Substrates/ Products (Substrates)

Natural Substrates Organism Comment (Nat. Sub.) Natural Products Comment (Nat. Pro.) Rev. Reac.
additional information Mycobacterium tuberculosis CYP51 is a major checkpoint in membrane sterol biosynthesis, is a key target for fungal antibiotic therapy ?
-
?
additional information Mycobacterium tuberculosis H37Rv CYP51 is a major checkpoint in membrane sterol biosynthesis, is a key target for fungal antibiotic therapy ?
-
?

Organism

Organism UniProt Comment Textmining
Mycobacterium tuberculosis P9WPP9
-
-
Mycobacterium tuberculosis H37Rv P9WPP9
-
-

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
additional information CYP51 is a major checkpoint in membrane sterol biosynthesis, is a key target for fungal antibiotic therapy Mycobacterium tuberculosis ?
-
?
additional information CYP51 is a major checkpoint in membrane sterol biosynthesis, is a key target for fungal antibiotic therapy Mycobacterium tuberculosis H37Rv ?
-
?

Synonyms

Synonyms Comment Organism
CYP51
-
Mycobacterium tuberculosis
sterol 14alpha-demethylase
-
Mycobacterium tuberculosis

Cofactor

Cofactor Comment Organism Structure
cytochrome P450 a cytochrome P450 enzyme Mycobacterium tuberculosis