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Solution conformation of the major adduct between the carcinogen (+)-anti-benzo[a]pyrene diol epoxide and DNA.
The solution structure centered about the BP covalent adduct site in the (BP)G.C 11-mer duplex is determined by incorporating intramolecular and intermolecular proton-proton distance bounds deduced from the NMR data sets as constraints in energy minimization computations. Expand
NMR Characterization of a DNA Duplex Containing the Major Acrolein-derived Deoxyguanosine Adduct γ-OH-1,-N 2-Propano-2′-deoxyguanosine*
It is concluded that formation of duplex DNA triggers the hydrolytic conversion of γ-OH-1,N 2-propano-2′-deoxyguanosine to an open chain form, a structure that facilitates pairing with dC during DNA replication and accounts for the surprising lack of mutagenicity associated with this DNA adduct. Expand
NMR structural studies of intramolecular (Y+)n.(R+)n(Y-)nDNA triplexes in solution: imino and amino proton and nitrogen markers of G.TA base triple formation.
The NMR data are consistent with the proposed pairing alignment for the G.TA triple where the guanosine in an anti orientation pairs through a single hydrogen bond from one of its 2-amino protons to the 4-carbonyl group of thymidine in the Watson-Crick TA pair. Expand
NMR structures of damaged DNA.
Structure and stability of duplex DNA containing (5'S)-5',8-cyclo-2'-deoxyadenosine: an oxidatively generated lesion repaired by NER.
Using solution state NMR spectroscopy and restrained molecular dynamics simulations, the structure of an undecameric DNA duplex having a centrally located (5'S)-5',8-cyclo-2'-deoxyadenosine residue paired to T is determined and the S-cdA·T duplex structure shows many similarities to and some intriguing differences from the recently reported structure that suggest different lesion site dynamics. Expand
Influence of benzo[a]pyrene diol epoxide chirality on solution conformations of DNA covalent adducts: the (-)-trans-anti-[BP]G.C adduct structure and comparison with the (+)-trans-anti-[BP]G.C
Two-dimensional NMR techniques were applied to assign the exchangeable and non-exchangeable protons of the benzo[a]pyrenyl moiety and the nucleic acid in the modified duplex, which establish Watson-Crick base pair alignment at the [BP]G6. Expand
Carbon-13 nuclear magnetic resonance analysis of [1-13C]glucose metabolism in Trypanosoma cruzi. Evidence of the presence of two alanine pools and of two CO2 fixation reactions.
The non-invasive technique of 13C-nuclear magnetic resonance was applied to study glucose metabolism in vivo in Trypanosoma cruzi, the causative agent of American trypanosomiasis, and revealed the presence in T. cruzi of a reductive pathway of CO2 which is independent of the CO2 fixation reaction. Expand
Dynamic behavior of DNA base pairs containing 8-oxoguanine.
These simulations indicate that both the dynamic and equilibrium behavior of the duplex change as a result of oxidation; these differences may provide valuable new insight into the selective action of enzymes on damaged DNA. Expand
Integrity of duplex structures without hydrogen bonding: DNA with pyrene paired at abasic sites.
The data indicate that both molecules adopt right-handed helical conformations with Watson- Crick alignments for all canonical base pairs, and support the idea that the stability and replication of a P.F pair is due to its ability to mimic Watson-Crick structure. Expand
NMR characterization of clustered bistrand abasic site lesions: effect of orientation on their solution structure.
To understand the structural properties of clustered DNA lesions, two oligodeoxynucleotide duplexes containing adjacent tetrahydrofuran residues (abasic site analogues) are prepared and NMR data indicate that both duplex structures are right-handed helices of high similarity outside the clustered damage site. Expand