Virtual screening against metalloenzymes for inhibitors and substrates

Biochemistry

Volumn 44, Issue 37, 2005, Pages 12316-12328

  Irwin, John J ^a   Raushel, Frank M ^b   Shoichet, Brian K ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

^b TEXAS A AND M UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CRYSTAL STRUCTURE; ENZYME INHIBITION; MOLECULAR DYNAMICS; MOLECULAR STRUCTURE; SCREENING; SUBSTRATES; X RAY CRYSTALLOGRAPHY;

METALLOENZYMES; MOLECULAR DOCKING; VIRTUAL SCREENING; X-RAY CRYSTAL STRUCTURE;

ENZYMES;

ACTINONIN; ANTIGLAUCOMA AGENT; BETA LACTAMASE; CARBONATE DEHYDRATASE II; CARBONATE DEHYDRATASE INHIBITOR; CHEMICAL WARFARE AGENT; CHLORPYRIFOS; DIMPYLATE; ENZYME INHIBITOR; LIGAND; MATRIX METALLOPROTEINASE INHIBITOR; MEMBRANE METALLOENDOPEPTIDASE; METALLOENZYME; METALLOPROTEIN; METHYLPHOSPHONOTHIOIC ACID S (2 DIISOPROPYLAMINOETHYL) O ETHYL ESTER; MOLYBDENUM; NICKEL; ORGANOPHOSPHATE INSECTICIDE; PARAOXON; PARATHION; PARATHION METHYL; PEPTIDE DEFORMYLASE; PHOSPHOTRIESTERASE; PROTEINASE; QUINALPHOS; SARIN; SOMAN; STROMELYSIN; UNCLASSIFIED DRUG; XANTHINE OXIDASE; ZINC;

ARTICLE; BACTEROIDES FRAGILIS; BINDING SITE; BREVUNDIMONAS DIMINUTA; CHEMICAL WARFARE; CRYSTAL STRUCTURE; ENZYME ASSAY; ENZYME INHIBITION; ENZYME SUBSTRATE; ESCHERICHIA COLI; GLAUCOMA; HUMAN; MOLECULAR MODEL; NEUROTOXICITY; NONHUMAN; OSTEOPOROSIS; PRIORITY JOURNAL; RHEUMATOID ARTHRITIS;

CRYSTALLOGRAPHY, X-RAY; DATABASES, PROTEIN; ENZYME INHIBITORS; ENZYMES; METALLOPROTEINS; MODELS, MOLECULAR; PROTEIN CONFORMATION; PSEUDOMONAS; SUBSTRATE SPECIFICITY; TRIOSE-PHOSPHATE ISOMERASE;

BACTEROIDES FRAGILIS; BREVUNDIMONAS DIMINUTA;

EID: 24944529911     PISSN: 00062960     EISSN: None     Source Type: Journal    
DOI: 10.1021/bi050801k     Document Type: Article

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