3TIK
Sterol 14-alpha demethylase (CYP51) from Trypanosoma brucei in complex with the tipifarnib derivative 6-((4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl)-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one
Summary for 3TIK
Entry DOI | 10.2210/pdb3tik/pdb |
Related | 3g1q |
Descriptor | sterol 14-alpha demethylase (CYP51), PROTOPORPHYRIN IX CONTAINING FE, 6-[(R)-(4-chlorophenyl)(methoxy)(1-methyl-1H-imidazol-5-yl)methyl]-4-(2,6-difluorophenyl)-1-methylquinolin-2(1H)-one, ... (4 entities in total) |
Functional Keywords | sterol 14-alpha demethylase, cyp51, heme, monooxygenase, sterol biosynthesis, cytochrome p450 fold, oxidoreductase, cytochrome p450 reductase, endoplasmic reticulum membrane |
Biological source | Trypanosoma brucei |
Total number of polymer chains | 4 |
Total formula weight | 209700.00 |
Authors | Hargrove, T.Y.,Wawrzak, Z.,Kraus, J.M.,Gelb, M.H.,Buckner, F.S.,Waterman, M.R.,Lepesheva, G.I. (deposition date: 2011-08-20, release date: 2012-07-11, Last modification date: 2023-09-13) |
Primary citation | Buckner, F.S.,Bahia, M.T.,Suryadevara, P.K.,White, K.L.,Shackleford, D.M.,Chennamaneni, N.K.,Hulverson, M.A.,Laydbak, J.U.,Chatelain, E.,Scandale, I.,Verlinde, C.L.,Charman, S.A.,Lepesheva, G.I.,Gelb, M.H. Pharmacological characterization, structural studies, and in vivo activities of anti-chagas disease lead compounds derived from tipifarnib. Antimicrob.Agents Chemother., 56:4914-4921, 2012 Cited by PubMed: 22777048DOI: 10.1128/AAC.06244-11 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (2.05 Å) |
Structure validation
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