3fu3 | pdb_00003fu3

Leukotriene A4 hydrolase in complex with fragment 4-(2-amino-1,3-thiazol-4-yl)phenol

spinqualitylabelsall models 3fu3, resolution 2.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3fu3 is a 1 chain structure with sequence from Homo sapiens. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 92G, ACT, IMD, YB, ZN Related: 3fh7, 3fts, 3ftu, 3ftv, 3ftw, 3ftx, 3fty, 3ftz, 3fu0, 3fu5, 3fu6, 3fud, 3fue, 3fuf, 3fuh, 3fui, 3fuj, 3fuk, 3ful, 3fum, 3fun Gene: LTA4H, LTA4 (Homo sapiens) Activity: Leukotriene-A(4) hydrolase, with EC number 3.3.2.6 Resources: FirstGlance, OCA, RCSB, PDBsum Evolutionary Conservation Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf. Publication Abstract from PubMed We describe a novel fragment library termed fragments of life (FOL) for structure-based drug discovery. The FOL library includes natural small molecules of life, derivatives thereof, and biaryl protein architecture mimetics. The choice of fragments facilitates the interrogation of protein active sites, allosteric binding sites, and protein-protein interaction surfaces for fragment binding. We screened the FOL library against leukotriene A4 hydrolase (LTA4H) by X-ray crystallography. A diverse set of fragments including derivatives of resveratrol, nicotinamide, and indole were identified as efficient ligands for LTA4H. These fragments were elaborated in a small number of synthetic cycles into potent inhibitors of LTA4H representing multiple novel chemotypes for modulating leukotriene biosynthesis. Analysis of the fragment-bound structures also showed that the fragments comprehensively recapitulated key chemical features and binding modes of several reported LTA4H inhibitors. Discovery of Leukotriene A4 Hydrolase Inhibitors Using Metabolomics Biased Fragment Crystallography (dagger).,Davies DR, Mamat B, Magnusson OT, Christensen J, Haraldsson MH, Mishra R, Pease B, Hansen E, Singh J, Zembower D, Kim H, Kiselyov AS, Burgin AB, Gurney ME, Stewart LJ J Med Chem. 2009 Jul 20. PMID:19618939 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Leukotriene A4 Hydrolase

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