http://rdf.ncbi.nlm.nih.gov/pubchem/patent/US-2004219607-A1

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filingDate 2004-05-19-04:00^^<http://www.w3.org/2001/XMLSchema#date>
inventor http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_fd2e80ed9e6c6b46d2a649f54547ea14
http://rdf.ncbi.nlm.nih.gov/pubchem/patentinventor/MD5_d507ba83883f9768a31c3927aa06da29
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publicationDate 2004-11-04-04:00^^<http://www.w3.org/2001/XMLSchema#date>
publicationNumber US-2004219607-A1
titleOfInvention Ligand screening and design by X-ray crystallography
abstract X-ray crystallography can be used to screen compounds that are not known ligands of a target biomolecule for their ability to bind the target biomolecule. The method includes obtaining a crystal of a target biomolecule; exposing the target biomolecule crystal to one or more test samples; and obtaining an X-ray crystal diffraction pattern to determine whether a ligand/receptor complex is formed. n The target is exposed to the test samples by either co-crystallizing a biomolecule in the presence of one or more test samples or soaking the biomolecule crystal in a solution of one or more test samples. In another embodiment, structural information from ligand/receptor complexes are used to design ligands that bind tighter, that bind more specifically, that have better biological activity or that have better safety profile. n A further embodiment of the invention comprises identifying or designing biologically-active moieties by the instant process. n In a further embodiment, a biomolecule crystal having an easily accessible active site is formed by co-crystallizing the biomolecule with a degradable ligand and degrading the ligand.
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http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID453364552
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID67989465
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID231117991
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID250699
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID239512725
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID158961691
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID142325701
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID237966369
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID12560
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID128984259
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID69380006
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID237945958
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID226395685
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID69380005
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID243791791
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID453241577
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID129497818
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID239490608
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID450126376
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID70622
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP16227
http://rdf.ncbi.nlm.nih.gov/pubchem/substance/SID226394880
http://rdf.ncbi.nlm.nih.gov/pubchem/protein/ACCP83169
http://rdf.ncbi.nlm.nih.gov/pubchem/compound/CID71250739

Total number of triples: 328.