3e2m | pdb_00003e2m

LFA-1 I domain bound to inhibitors

spinqualitylabelsall models 3e2m, resolution 2.00Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 3e2m is a 2 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: E2M Related: 3bqn, 3bqm Gene: ITGAL, CD11A (Homo sapiens) 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 LFA-1 ICAM inhibitors based on ortho- and meta-phenol templates were designed and synthesized by Mitsunobu chemistry. The selection of targets was guided by X-ray co-crystal data, and led to compounds which showed an up to 30-fold increase in potency over reference compound 1 in the LFA-1/ICAM1-Ig assay. The most active compound exploited a new hydrogen bond to the I-domain and exhibited subnanomolar potency. Structure-activity relationship of ortho- and meta-phenol based LFA-1 ICAM inhibitors.,Lin EY, Guckian KM, Silvian L, Chin D, Boriack-Sjodin PA, van Vlijmen H, Friedman JE, Scott DM Bioorg Med Chem Lett. 2008 Oct 1;18(19):5245-8. Epub 2008 Aug 22. PMID:18783948 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also Integrin

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