4ny9 | pdb_00004ny9

Crystal Structure Of the Human PXR-LBD In Complex With N-{(2R)-1-[(4S)-4-(4-chlorophenyl)-4-hydroxy-3,3-dimethylpiperidin-1-yl]-3-methyl-1-oxobutan-2-yl}-3-hydroxy-3-methylbutanamide

spinqualitylabelsall models 4ny9, resolution 2.80Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image   Print3D Structural highlights 4ny9 is a 1 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: 2Q4, GOL Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed High affinity, functionally potent, urea-based antagonists of CCR1 have been discovered. Modulation of PXR transactivation has revealed the selective and orally bioavailable CCR1 antagonist BMS-817399 (29), which entered clinical trials for the treatment of rheumatoid arthritis. The Discovery of CCR1 Antagonist, BMS-817399, for the Treatment of Rheumatoid Arthritis.,Santella J, Duncia JV, Gardner D, Wu H, Dhar MT, Cavallaro CL, Tebben AJ, Carter PH, Barrish JC, Yarde M, Briceno S, Cvijic ME, Grafstrom R, Liu R, Patel S, Watson A, Yang G, Rose A, Vickery R, Caceres Cortes J, Caporuscio C, Camac D, Khan J, An Y, Foster W, Davies P, Hynes J J Med Chem. 2014 Aug 7. PMID:25101488 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

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