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See detailCrystallization and preliminary X-ray analysis of bacteriophage lambda lysozyme in which all tryptophans have been replaced by aza-tryptophans
Evrard, Christine ULg; Declercq, Jean-Paul; Fastrez, Jacques

in Acta Crystallographica Section D-Biological Crystallography (1997), D53

After many unsuccessful attempts to crystallize the bacteriophage lambda lysozyme, a mutant where all the tryptophan residues have been replaced by aza-tryptophans has been crystallized by the vapor ... [more ▼]

After many unsuccessful attempts to crystallize the bacteriophage lambda lysozyme, a mutant where all the tryptophan residues have been replaced by aza-tryptophans has been crystallized by the vapor-diffusion method. The crystals are orthorhombic and belong to space group P212121 with cell dimensions a = 73.01, b = 78.80, c = 82.31 Å. Diffraction data were collected using synchrotron radiation sources. Crystals diffract to a resolution of 2.3 Å. Data from two different platinum derivatives were also recorded to 2.8 and 2.5 Å, respectively. [less ▲]

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See detailRelationship between structural properties and affinity for herpes simplex virus type 1 thymidine kinase of bromine substituted 5-heteroaromatic 2'-deoxyuridines
Creuven, Isabelle; Evrard, Christine ULg; Olivier, Anne et al

in Antiviral Research (1996), 30

The crystal structures of 5-(5-furan-2-yl)-2'-deoxyuridine (II), 5-(5-bromofuran-2-yl)-2' deoxyuridine (IV) and 5-(3-bromothien-2-yl)-2'-deoxyuridine (V) have been studied in order to explain the ... [more ▼]

The crystal structures of 5-(5-furan-2-yl)-2'-deoxyuridine (II), 5-(5-bromofuran-2-yl)-2' deoxyuridine (IV) and 5-(3-bromothien-2-yl)-2'-deoxyuridine (V) have been studied in order to explain the different affinity of the compounds for the herpes simplex virus type 1 (HSV-1) thymidine kinase. These compounds present a variable affinity according to the position of the heteroatom substituting the five-membered ring. An unfavourable substitution in the five-membered ring for interaction with the HSV-1 thymidine kinase has been identified. [less ▲]

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See detailStereoelectronic properties of five anti-HSV-1 2′-deoxynucleosides analogues with heterocyclic substituents in the 5-position: A comparison with BVDU
Olivier, Anne; Creuven, Isabelle; Evrard, Christine ULg et al

in Antiviral Research (1994), 24

Structural and electronic characteristics of 5-(5-chlorothien-2-yl)-2′-deoxyuridine (I), 5-(furan-2-yl)-2′-deoxyuridine (II), 5-(5-bromofuran-2-yl)-2′-deoxyuridine (III), 5-(3-bromoisoxazol-5-yl)-2′ ... [more ▼]

Structural and electronic characteristics of 5-(5-chlorothien-2-yl)-2′-deoxyuridine (I), 5-(furan-2-yl)-2′-deoxyuridine (II), 5-(5-bromofuran-2-yl)-2′-deoxyuridine (III), 5-(3-bromoisoxazol-5-yl)-2′-deoxyuridine (V) and 5-(isoxazol-5-yl)-2′-deoxyuridine (IV) have been determined and compared to the BVDU (VI) characteristics in order to explain their respective affinity for the herpes simplex virus type 1 thymidine kinase (TK). Molecular structure of 5-(5-chlorothien-2-yl)-2′-deoxyuridine has been obtained using single crystal X-ray crystallography. Electrostatic potential maps, energy and topology of frontier orbitals were computed at the ab initio MO STO-3G and STO-3G* level. These studies reveal that the electrostatic potential energy maps are clearly dependent on the affinity of the compound for the enzyme. [less ▲]

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