2CIB
High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors
Summary for 2CIB
Entry DOI | 10.2210/pdb2cib/pdb |
Related | 1E9X 1EA1 1H5Z 1U13 1X8V 2BZ9 2CI0 |
Descriptor | CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, (2S)-2-[(2,1,3-BENZOTHIADIAZOL-4-YLSULFONYL)AMINO]-2-PHENYL-N-PYRIDIN-4-YLACETAMIDE, ... (4 entities in total) |
Functional Keywords | heme, heme lipid synthesis, metal-binding, monooxygenase, nadp, oxidoreductase, protein-inhibitor complex, steroid biosynthesis, sterol biosynthesis |
Biological source | MYCOBACTERIUM TUBERCULOSIS |
Total number of polymer chains | 1 |
Total formula weight | 52519.26 |
Authors | Podust, L.M.,Kim, Y.,Yermalitskaya, L.V.,Von Kries, J.P.,Waterman, M.R. (deposition date: 2006-03-17, release date: 2007-07-03, Last modification date: 2023-12-13) |
Primary citation | Podust, L.M.,Von Kries, J.P.,Eddine, A.N.,Kim, Y.,Yermalitskaya, L.V.,Kuehne, R.,Ouellet, H.,Warrier, T.,Altekoster, M.,Lee, J.-S.,Rademann, J.,Oschkinat, H.,Kaufmann, S.H.E.,Waterman, M.R. Small Molecule Scaffolds for Cyp51 Inhibitors Identified by High Throughput Screening and Defined by X-Ray Crystallography Antimicrob.Agents Chemother., 51:3915-, 2007 Cited by PubMed: 17846131DOI: 10.1128/AAC.00311-07 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.5 Å) |
Structure validation
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