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Virtual screening services
Quantum is a leading company providing drug screening services in-silico and, thus, delivering to it clients strong inhibitors against variety of target-proteins
We apply our proprietary developed computational technology QUANTUM, which shows outstanding accuracy in forecasting binding affinities. The hit rate of the QUANTUM performance is about 50%, it means that a half of found in silico strong inhibitors would be confirmed in in-vitro testing!!!
Click here to download a brochure about QUANTUM hit Identification technology.
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Title: KLEBSIELLA AEROGENES UREASE, C319S VARIANT |
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Functional Class: Hydrolase Primary citation: Pearson, M.A.,Michel, L.O.,Hausinger, R.P.,Karplus, P.A. Structures of Cys319 variants and acetohydroxamate-inhibited Klebsiella aerogenes urease. Biochemistry v36 pp.8164-8172, 1997 |
Abstract Title: Structures of Cys319 variants and acetohydroxamate-inhibited Klebsiella aerogenes urease.
Keywords: Metal-dependent, Inhibitors, Nitrogen, Molecular, Roll, Sandwich, Catalytic, Beta-clip, 1fwgc1, 1fwgc2, Nz-carboxylic, Gamma-subunit, Urea, D1fwgb_, Compound, Barrel, Research, (ii), Hydroxamic, 1fwgb0, Binding, Activity, Klebsiella, Domain, (1fwg:a), Proteins, Aerogenes, Cystine, Lysine, Site-directed, Nickel, Metallo-dependent, Nickel, Mutagenesis, U.s., Urease,, Urease;, Urease,, Gov't, X-ray, Amino, (a/b), Support, (1fwg:c), Beta/alpha-barrel, Metallo-dependent, D1fwga_, Acid, Hydrolases, Composite, Beta-subunit, (a+b), Beta, Metabolism, Hydrolase, Nickel, 2-layer, (1fwg:b), Urease, Data, Sequence, Mainly, Alpha-subunit, Crystallography, Binding, Sites, Enzyme, 1fwga0, Urease, Alpha-subunit, Non-p.h.s., Alpha, Subunit, Kinetics, Acids, Beta, Urease, D1fwgc1, D1fwgc2, Acid, Ribbon, Focused compound library, Targeted chemical collection, Pre-selected, Prescreened, Measurement, Estimation, Prediction, Hts, Uhts, High throughput screening, Ultra high-throughput screening, Development, Profiling, Hit, Lead, Hits, Leads, Drug candidate, Chemicals, Entity, Therapeutic agents, Small molecules, In vitro, Novel active compounds, Focused compound library, Targeted hit library, Entities collection, In-vitro, Vendors, Providers, Distributors, Cro, Medicinal chemists, Diverse range, Structurally diverse building blocks, Hit rich collection, Synthesized, Develop new focused arrays, Privileged scaffolds profile, Profiling, Pre-screened, Methods and principles in medicinal chemistry, Synthetic organic, Computational chemistry, Subset of, Broad variety of organic compounds, Diversity analysis, Synthetic tractability and drug like properties, Computer-aided, Optimization,
