Adenosine hypodiphosphate ester, an analogue of ADP: analysis of the adenine-hypodiphosphate interaction mode in hypodiphosphate nucleotides and adenine salts.

Adenosine diphosphate (ADP) plays a crucial role in cell biochemistry, especially in metabolic pathways and energy storage. ADP itself, as well as many of its analogues, such as adenosine hypodiphosphate (AhDP), has been studied extensively, in particular in terms of enzymatic activity. However, structural studies in the solid state, especially for AhDP, are still missing.

Multi-temperature study of potassium uridine-5'-monophosphate: electron density distribution and anharmonic motion modelling.

Uridine, a nucleoside formed of a uracil fragment attached to a ribose ring via a β-N1-glycosidic bond, is one of the four basic components of ribonucleic acid. Here a new anhydrous structure and experimental charge density distribution analysis of a uridine-5'-monophosphate potassium salt, K(UMPH), is reported. The studied case constitutes the very first structure of a 5'-nucleotide potassium salt according to the Cambridge Structural Database.

Purine 3':5'-cyclic nucleotides with the nucleobase in a syn orientation: cAMP, cGMP and cIMP.

Purine 3':5'-cyclic nucleotides are very well known for their role as the secondary messengers in hormone action and cellular signal transduction. Nonetheless, their solid-state conformational details still require investigation. Five crystals containing purine 3':5'-cyclic nucleotides have been obtained and structurally characterized, namely adenosine 3':5'-cyclic phosphate dihydrate, C10H12N5O6P·2H2O or cAMP·2H2O, (I), adenosine 3':5'-cyclic phosphate 0.

Reversible chair ↔ skew conformational interconversion of 1,3,2-dioxaphosphorinane ring in the solid state.

β-NH4[(MeO)2cDHAP] (where cDHAP is cyclic dihydroxyacetone phosphate) has been investigated by X-ray crystallography in the temperature range 350-100 K. Three reversible single-crystal-to-single-crystal phase transitions have been examined and four phases (high-, room-, medium- and low-temperature phase, HTP, RTP, MTP and LTP, respectively) have been structurally determined: HTP (at 350 K, P2(1)/a, Z = 24), RTP (290 K, P1, Z = 12), MTP (205 K, P2(1)/a, Z = 4) and LTP (100 K, P1, Z = 24). Various puckering modes of the 1,3,2-dioxaphosphorinane ring of the organic cyclic phosphate anion have been revealed in the crystal: chair and skew.

3':5'-Cyclic nucleotides: two sodium salts of cdTMP.

3':5'-Cyclic nucleotides play an outstanding role in signal transduction at the cellular level but, in spite of comprehensive knowledge of the biological role of cyclic nucleotides, their structures are not established fully. Two hydrated sodium salts of thymidine 3':5'-cyclic phosphate (cdTMP, C10H12N2O7P), namely sodium thymidine 3':5'-cyclic phosphate heptahydrate, Na(+)·C10H12N2O7P(-)·7H2O or Na(cdTMP)·7H2O, (I), and sodium thymidine 3':5'-cyclic phosphate 3.7-hydrate, Na(+)·C10H12N2O7P(-)·3.

Nucleotide-amino acid interactions in the L-His-IMP.MeOH.H(2)O complex.

In the crystal structure of the methanol-solvated monohydrated complex of L-histidine (His) with inosine 5'-monophosphate (IMP), namely L-histidinium inosine-5'-phosphate methanol solvate monohydrate, C(6)H(10)N(3)O(2)(+).C(10)H(12)N(4)O(8)P(-).CH(3)OH.

Dihydroxyacetone (DHA) monomer complexes with CaBr2 and CdCl2.

Two hydrated complexes of monomeric dihydroxyacetone (DHA; the simplest ketose), viz. the calcium bromide complex bis(mu-dihydroxyacetone)bis[tetraaquacalcium(II)] tetrabromide (isomorphous with the chloride compound reported previously), [Ca(2)(C(3)H(6)O(3))(2)(H(2)O)(8)]Br(4), (2e), and the cadmium chloride complex poly[[bis(mu-dihydroxyacetone)bis[bis(dihydroxyacetone)cadmium(II)]] [diaquatetradeca-mu-chlorido-dichloridohexacadmium(II)] tetrahydrate], {[Cd(2)(C(3)H(6)O(3))(6)][Cd(6)Cl(16)(H(2)O)(2)] x 4 H(2)O}(n), (2f), are described. The Ca(2+) or Cd(2+) ions are bridged by the carbonyl O atoms from two DHA molecules to form centrosymmetric dimers, with Ca.

Calcium chloride rhenate(VII) dihydrate.

The crystal structure of calcium chloride rhenate(VII) dihydrate, CaCl(ReO4).2H2O, investigated at 85 K, consists of calcium cations, chloride anions, rhenate(VII) anions and water molecules. In the nearly tetrahedral rhenate(VII) anion, all constituent atoms lie on special positions of m2m (Re) and m (O) site symmetries.

N-Amidino-4-hydroxy-L-proline monohydrate and N-amidino-L-methionine monohydrate.

The title amidino-amino acids (a-Hpro), C6H11N3O3.H2O, (I), and a-Met, C6H13N3O2S.H2O, (II), respectively, exist in the form of zwitterions.