4uai

Crystal structure of CXCL12 in complex with inhibitorCrystal structure of CXCL12 in complex with inhibitor

Structural highlights 4uai is a 2 chain structure. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: , Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed CXCL12 binds to CXCR4, promoting both chemotaxis of lymphocytes and metastasis of cancer cells. We previously identified small molecule ligands that bind CXCL12 and block CXCR4-mediated chemotaxis. We now report a 1.9 Angstrom resolution X-ray structure of CXCL12 bound by such a molecule at a site normally bound by sY21 of CXCR4. The complex structure reveals binding hot spots for future inhibitor design and suggests a new approach to targeting CXCL12-CXCR4 signaling in drug discovery. Structural analysis of a novel small molecule ligand bound to the CXCL12 chemokine.,Smith E, Liu Y, Getschman AE, Peterson F, Ziarek JJ, Li R, Volkman BF, Chen Y J Med Chem. 2014 Oct 30. PMID:25356720 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.

spinqualitylabelsall models 4uai, resolution 1.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image