2CI0

High throughput screening and x-ray crystallography assisted evaluation of small molecule scaffolds for CYP51 inhibitors

Summary for 2CI0

Entry DOI	10.2210/pdb2ci0/pdb
Related	1E9X 1EA1 1H5Z 1U13 1X8V 2BZ9 2CIB
Descriptor	CYTOCHROME P450 51, PROTOPORPHYRIN IX CONTAINING FE, (2R)-2-PHENYL-N-PYRIDIN-4-YLBUTANAMIDE, ... (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	52334.07
Authors	Podust, L.M.,Kim, Y.,Yermalitskaya, L.V.,Von Kries, J.P.,Waterman, M.R. (deposition date: 2006-03-16, 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: 17846131 DOI: 10.1128/AAC.00311-07 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.53 Å)

Structure validation