4ih5

Hepatitis C Virus polymerase NS5B (BK) with fragment-based compoundsHepatitis C Virus polymerase NS5B (BK) with fragment-based compounds

Structural highlights 4ih5 is a 2 chain structure with sequence from Hepatitis c virus (isolate bk). Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance. Ligands: Related: 4ih6, 4ih7 Gene: NS5B (Hepatitis C virus (isolate BK)) Activity: RNA-directed RNA polymerase, with EC number 2.7.7.48 Resources: FirstGlance, OCA, RCSB, PDBsum Publication Abstract from PubMed The use of fragments with low binding affinity for their targets as starting points has received much attention recently. Screening of fragment libraries has been the most common method to find attractive starting points. Herein, we describe a unique, alternative approach to generating fragment leads. A binding model was developed and a set of guidelines were then selected to use this model to design fragments, enabling our discovery of a novel fragment with high LE. De novo fragment design: a medicinal chemistry approach to fragment-based lead generation.,Talamas FX, Ao-Ieong G, Brameld KA, Chin E, de Vicente J, Dunn JP, Ghate M, Giannetti AM, Harris SF, Labadie SS, Leveque V, Li J, Lui AS, McCaleb KL, Najera I, Schoenfeld RC, Wang B, Wong A J Med Chem. 2013 Apr 11;56(7):3115-9. doi: 10.1021/jm4002605. Epub 2013 Mar 29. PMID:23509929 From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. See Also RNA polymerase

spinqualitylabelsall models 4ih5, resolution 1.90Å Show:Asymmetric Unit Biological Assembly Drag the structure with the mouse to rotate   Export Animated Image