| http://purl.uniprot.org/citations/19305397 | http://www.w3.org/1999/02/22-rdf-syntax-ns#type | http://purl.uniprot.org/core/Journal_Citation |
| http://purl.uniprot.org/citations/19305397 | http://www.w3.org/1999/02/22-rdf-syntax-ns#type | http://purl.uniprot.org/core/Journal_Citation |
| http://purl.uniprot.org/citations/19305397 | http://www.w3.org/2000/01/rdf-schema#comment | "Fragment screens have successfully identified new scaffolds in drug discovery, often with relatively high hit rates (5%) using small screening libraries (1,000-10,000 compounds). This raises two questions: would other noteworthy chemotypes be found were one to screen all commercially available fragments (>300,000), and does the success rate imply low specificity of fragments? We used molecular docking to screen large libraries of fragments against CTX-M beta-lactamase. We identified ten millimolar-range inhibitors from the 69 compounds tested. The docking poses corresponded closely to the crystallographic structures subsequently determined. Notably, these initial low-affinity hits showed little specificity between CTX-M and an unrelated beta-lactamase, AmpC, which is unusual among beta-lactamase inhibitors. This is consistent with the idea that the high hit rates among fragments correlate to a low initial specificity. As the inhibitors were progressed, both specificity and affinity rose together, yielding to our knowledge the first micromolar-range noncovalent inhibitors against a class A beta-lactamase."xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.org/dc/terms/identifier | "doi:10.1038/nchembio.155"xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.org/dc/terms/identifier | "doi:10.1038/nchembio.155"xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/author | "Chen Y."xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/author | "Chen Y."xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/author | "Shoichet B.K."xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/author | "Shoichet B.K."xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/date | "2009"xsd:gYear |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/date | "2009"xsd:gYear |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/name | "Nat. Chem. Biol."xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/name | "Nat Chem Biol"xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/pages | "358-364"xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/pages | "358-364"xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/title | "Molecular docking and ligand specificity in fragment-based inhibitor discovery."xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/title | "Molecular docking and ligand specificity in fragment-based inhibitor discovery."xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/volume | "5"xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://purl.uniprot.org/core/volume | "5"xsd:string |
| http://purl.uniprot.org/citations/19305397 | http://www.w3.org/2004/02/skos/core#exactMatch | http://purl.uniprot.org/pubmed/19305397 |
| http://purl.uniprot.org/citations/19305397 | http://www.w3.org/2004/02/skos/core#exactMatch | http://purl.uniprot.org/pubmed/19305397 |
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| http://purl.uniprot.org/citations/19305397 | http://xmlns.com/foaf/0.1/primaryTopicOf | https://pubmed.ncbi.nlm.nih.gov/19305397 |
| http://purl.uniprot.org/uniprot/Q9L5C8 | http://purl.uniprot.org/core/citation | http://purl.uniprot.org/citations/19305397 |
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