DNA, molecular structure

Jemstrom B, Graslund A. Covalent binding of benzo[a] pyrene 7,8-dihydrodioI 9,10-epxides to DNA molecular structure, induced mutations and biological consequences. Biophys Chem 1994 49 185-199. 

Wang AH J, Ugheno 0, Quigley G], Rich A. Inieraciions between an anthracycline antibiotic and DNA Molecular structure of daunomycin complex to d(CpGpTpApCpO) at 1.2 A resolution, Biochem 1987 26 1152-1163. 

As the molecular structure of DNA was being elucidated, scientists made significant contributions to revealing the structures of proteins and enzymes. Sanger [2] resolved the... 

Wang, A.H.-J., et al. Molecular structure of a left-handed DNA fragment at atomic resolution. Nature 282 680-686, 1979. 

There are therefore four adjustable parameters per atom in the refinement (xy, yy, Zj, By). In the computer experiments we have carried out to test the assumptions of the nucleic acid refinement model we have generated sets of observed structure factors F (Q), from the Z-DNA molecular dynamics trajectories. The thermal averaging implicit in Equation III.3 is accomplished by averaging the atomic structure factors obtained from coordinate sets sampled along the molecular dynamics trajectories at each temperature ... 

Hunt T DNA Makes RNA Makes Protein. Elsevier, 1983-Watson JD, Crick FHC Molecular structure of nucleic acids. Nature 1953 171 737. 

Figure 37-9. The eukaryotic basal transcription complex. Formation of the basal transcription complex begins when TFIID binds to the TATA box. It directs the assembly of several other components by protein-DNA and protein-protein interactions. The entire complex spans DNA from position -30 to +30 relative to the initiation site (+1, marked by bent arrow). The atomic level, x-ray-derived structures of RNA polymerase II alone and ofTBP bound to TATA promoter DNA in the presence of either TFIIB or TFIIA have all been solved at 3 A resolution. The structure of TFIID complexes have been determined by electron microscopy at 30 A resolution. Thus, the molecular structures of the transcription machinery are beginning to be elucidated. Much of this structural information is consistent with the models presented here.

Unlike solid state -stacks, however, double helical DNA is a molecular structure. Here CT processes are considered in terms of electron or hole transfer and transport, rather than in terms of material conductivity. Moreover, the 7r-stack of DNA is constructed of four distinct bases and is therefore heterogeneous and generally non-periodic. This establishes differences in redox energetics and electronic coupling along the w-stack. The intimate association of DNA with the water and counterions of its environment further defines its structure and contributes to inhomogeneity along the mole-... 

A theoretical analysis is presented for the binding of the four dia-stereoisomers of benzo[a]pyrene diol epoxides (BPDEs) to N2(g), N6(a), 06(G) and NU(c). Molecular models for binding and stereoselectivity involving intercalation, intercalative covalently and externally bound forms are presented. Molecular mechanics calculations provide the energetics which suggest possible structures for the formation of each of the principal DNA-BPDE complexes. Stereographic projections are used to illustrate the molecular structures and steric fits. The results of previous calculations on intercalation and adduct formation of BPDE l(+) in kinked DNA (37) are summarized and extended to include the four diastereoisomers l( ) and II( ). The theoretical model is consistent with the observed experimental data. 

Fig. 4. Photoactive Pt(IV)-iodido complexes, (a) Molecular structures of complexes 1-3 (b) influence of visible light on CT DNA binding of 2 and cytotoxicity of 2 against a TCCSUP human bladder cell line (data from Ref. (23)) (c) NMR studies showed that photosubstitution precedes photoreduction in the reaction of 2 with 5 -GMP upon irradiation Ref. (25).

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