The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study

scientific article

The entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study is …
instance of (P31):
scholarly articleQ13442814

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P356DOI10.1021/BI970294+
P3181OpenCitations bibliographic resource ID2461422
P698PubMed publication ID9245398

P2093author name stringW H Ward
P T Barth
I W Taylor
D Timms
R A Pauptit
S A Weston
A Tunnicliffe
G A Holdgate
G Rosenbrock
P2860cites workThe Protein Data Bank: a computer-based archival file for macromolecular structuresQ27860989
P433issue32
P407language of work or nameEnglishQ1860
P921main subjectantibiotic resistanceQ380775
P304page(s)9663-73
P577publication date1997-08-12
P1433published inBiochemistryQ764876
P1476titleThe entropic penalty of ordered water accounts for weaker binding of the antibiotic novobiocin to a resistant mutant of DNA gyrase: a thermodynamic and crystallographic study
P478volume36

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cites work (P2860)
Q367690943D-QSAR and docking studies of flavonoids as potent Escherichia coli inhibitors
Q46845410A balancing act between net uptake of water during dihydrofolate binding and net release of water upon NADPH binding in R67 dihydrofolate reductase
Q33796345A high-throughput fluorescence polarization assay for inhibitors of gyrase B
Q39731838Active-site residues of Escherichia coli DNA gyrase required in coupling ATP hydrolysis to DNA supercoiling and amino acid substitutions leading to novobiocin resistance
Q85641063An insight into the anticancer activities of Ru(II)-based metallocompounds using docking methods
Q51027070Assays, surrogates, and alternative technologies for a TB lead identification program targeting DNA gyrase ATPase.
Q42139627Break in the heat capacity change at 303 K for complex binding of netropsin to AATT containing hairpin DNA constructs
Q34231011Characterization of the DNA gyrase from the thermoacidophilic archaeon Thermoplasma acidophilum.
Q44878988Computationally accessible method for estimating free energy changes resulting from site-specific mutations of biomolecules: systematic model building and structural/hydropathic analysis of deoxy and oxy hemoglobins
Q40846816Coumermycin-induced dimerization of GyrB-containing fusion proteins.
Q27619619Crystal structure of anti-Hen egg white lysozyme antibody (HyHEL-10) Fv-antigen complex. Local structural changes in the protein antigen and water-mediated interactions of Fv-antigen and light chain-heavy chain interfaces
Q41811159Crystallization and preliminary X-ray analysis of the O-carbamoyltransferase NovN from the novobiocin-biosynthetic cluster of Streptomyces spheroides
Q41966721Crystallization and preliminary X-ray analysis of the O-methyltransferase NovP from the novobiocin-biosynthetic cluster of Streptomyces spheroides
Q27639219Differential oligosaccharide recognition by evolutionarily-related beta-1,4 and beta-1,3 glucan-binding modules
Q30873095Dissecting the nucleotide binding properties of Escherichia coli 6-hydroxymethyl-7,8-dihydropterin pyrophosphokinase with fluorescent 3'(2)'-o-anthraniloyladenosine 5'-triphosphate.
Q28236934Elucidation of the Hsp90 C-terminal inhibitor binding site
Q34142889Energy estimation in protein design
Q35188962Engineering an antibiotic to fight cancer: optimization of the novobiocin scaffold to produce anti-proliferative agents
Q34214929Exploiting bacterial DNA gyrase as a drug target: current state and perspectives.
Q50982064Ferroelectric thin films in fluidic environments: a new interface for sensing and manipulation of matter.
Q27658273Gaining ligand selectivity in thyroid hormone receptors via entropy
Q93083428Identification of an auxiliary druggable pocket in the DNA gyrase ATPase domain using fragment probes
Q50910731Increased substrate affinity in the Escherichia coli L28R dihydrofolate reductase mutant causes trimethoprim resistance.
Q28346496Influence of Glu-376 --> Gln mutation on enthalpy and heat capacity changes for the binding of slightly altered ligands to medium chain acyl-CoA dehydrogenase
Q52693543Investigation of the electrostatic and hydration properties of DNA minor groove-binding by a heterocyclic diamidine by osmotic pressure.
Q56452981Isothermal titration calorimetry: application to structure-based drug design
Q94548290Lead Identification of 8-(Methylamino)-2-oxo-1,2-dihydroquinoline Derivatives as DNA Gyrase Inhibitors: Hit-to-Lead Generation Involving Thermodynamic Evaluation
Q28534324Marine sediment-derived Streptomyces bacteria from British Columbia, Canada are a promising microbiota resource for the discovery of antimicrobial natural products
Q36300605Measurements of binding thermodynamics in drug discovery
Q39000654Multiple helical conformations of the helix-turn-helix region revealed by NOE-restrained MD simulations of tryptophan aporepressor, TrpR.
Q27766026NMR structure of the histidine kinase domain of the E. coli osmosensor EnvZ
Q37320252Novobiocin and additional inhibitors of the Hsp90 C-terminal nucleotide-binding pocket
Q46457405Probing the binding of the coumarin drugs using peptide fragments of DNA gyrase B protein.
Q38318269Salt bridge exchange binding mechanism between streptavidin and its DNA aptamer--thermodynamics and spectroscopic evidences
Q36002971Sequence discrimination by DNA-binding domain of ETS family transcription factor PU.1 is linked to specific hydration of protein-DNA interface
Q41093787Simocyclinone D8, an inhibitor of DNA gyrase with a novel mode of action
Q73189525Stereoselective binding of an enantiomeric pair of stromelysin-1 inhibitors caused by conformational entropy factors
Q27631152Structural evidence for entropic contribution of salt bridge formation to a protein antigen-antibody interaction: the case of hen lysozyme-HyHEL-10 Fv complex
Q37074120Structural mechanism for affinity maturation of an anti-lysozyme antibody
Q27766893Structure of CheA, a signal-transducing histidine kinase
Q24542413Structure-activity relationships of aminocoumarin-type gyrase and topoisomerase IV inhibitors obtained by combinatorial biosynthesis
Q55394029The Anticancer Activities of Some Nitrogen Donor Ligands Containing bis-Pyrazole, Bipyridine, and Phenanthroline Moiety Using Docking Methods.
Q27657980The Crystal Structure of the Novobiocin Biosynthetic Enzyme NovP: The First Representative Structure for the TylF O-Methyltransferase Superfamily
Q41202246The Search for Herbal Antibiotics: An In-Silico Investigation of Antibacterial Phytochemicals
Q27649703The Structure of Clostridium perfringens NanI Sialidase and Its Catalytic Intermediates
Q39927053The design, synthesis, and evaluation of coumarin ring derivatives of the novobiocin scaffold that exhibit antiproliferative activity
Q45002480The effect of tightly bound water molecules on the structural interpretation of ligand-derived pharmacophore models.
Q34092838The interaction of drugs with DNA gyrase: a model for the molecular basis of quinolone action
Q39117573The key DNA-binding residues in the C-terminal domain of Mycobacterium tuberculosis DNA gyrase A subunit (GyrA).
Q27639993The role of hydrogen bonding via interfacial water molecules in antigen-antibody complexation. The HyHEL-10-HEL interaction
Q36342708Thermo-kinetic analysis space expansion for cyclophilin-ligand interactions - identification of a new nonpeptide inhibitor using Biacore™ T200.
Q30320622Thermodynamic characterization of the interaction of human cyclophilin 18 with cyclosporin A.
Q45717201Thermodynamic computational approach to capture molecular recognition in the binding of different inhibitors to the DNA gyrase B subunit from Escherichia coli
Q33489159Thermodynamic profiling of HIV RREIIB RNA-zinc finger interactions
Q45110737Thermodynamic studies on the interaction of the third complement component and its inhibitor, compstatin
Q27024230Thermodynamics and solvent linkage of macromolecule-ligand interactions
Q35877480Thermodynamics of protein-ligand interactions: history, presence, and future aspects
Q36839299Thermodynamics of tryptophan-mediated activation of the trp RNA-binding attenuation protein
Q42408674Towards the classification of DYT6 dystonia mutants in the DNA-binding domain of THAP1.
Q35530176Unique features of apicoplast DNA gyrases from Toxoplasma gondii and Plasmodium falciparum
Q43605232Very empirical treatment of solvation and entropy: a force field derived from log Po/w
Q36715297Water at biomolecular binding interfaces