Biological Crystallography

 

Acta Cryst. (2007). D63, 665-672  [ doi:10.1107/S0907444907011997 ]

The atomic resolution structure of human aldose reductase reveals that rearrangement of a bound ligand allows the opening of the safety-belt loop

M. Biadene, I. Hazemann, A. Cousido, S. Ginell, A. Joachimiak, G. M. Sheldrick, A. Podjarny and T. R. Schneider

Synopsis: The crystal structure of human aldose reductase in complex with citrate at 0.82 Å resolution simultaneously shows the closed and open conformations of the safety belt. The two conformations correlate with different binding modes of the ligand.

PDB reference: 2j8t

Online 15 May 2007

 

Acta Cryst. (2007). D63, 673-681  [ doi:10.1107/S0907444907012607 ]

The structure of a d(gcGAACgc) duplex containing two consecutive bulged A residues in both strands suggests a molecular switch

J. Kondo, T. Sunami and A. Takénaka

Synopsis: Two octamers with a sequence d(gcGAACgc) are associated to each other to form two types of bulge-containing duplexes different in conformation of the bulged-out adenosine residues, suggesting a molecular switch of the protruded adenosine residues.

PDB reference: 2got

Online 15 May 2007

 

Acta Cryst. (2007). D63, 682-688  [ doi:10.1107/S0907444907013315 ]

Structure of a d(TGGGGT) quadruplex crystallized in the presence of Li⁺ ions

C. Creze, B. Rinaldi, R. Haser, P. Bouvet and P. Gouet

Synopsis: The X-ray structure of a parallel-stranded quadruplex has been solved to 1.5 Å resolution. The role of solvent molecules is analyzed.

PDB reference: 2o4f

Online 15 May 2007

 

Acta Cryst. (2007). D63, 689-697  [ doi:10.1107/S0907444907014187 ]

Probing the S2 site of factor VIIa to generate potent and selective inhibitors: the structure of BCX-3607 in complex with tissue factor-factor VIIa

R. Krishnan, P. L. Kotian, P. Chand, S. Bantia, S. Rowland and Y. S. Babu

Synopsis: Inhibition of the TF-FVIIa complex is seen as a promising target that is key to the development of clinical candidates for various cardiovascular applications. The crystal structure of the TF-FVIIa enzyme complex has been analyzed in order to design and synthesize small-molecule inhibitors.

PDB reference: 2ec9

Online 15 May 2007

 

Acta Cryst. (2007). D63, 698-704  [ doi:10.1107/S0907444907014904 ]

Structure-assisted discovery of Variola major H1 phosphatase inhibitors

J. Phan, J. E. Tropea and D. S. Waugh

Synopsis: The structure of the dual-specificity H1 phosphatase encoded by the smallpox virus has been determined and used to identify small-molecule inhibitors by in silico screening methods.

PDB reference: 2p4d

Online 15 May 2007

 

Acta Cryst. (2007). D63, 705-713  [ doi:10.1107/S0907444907014928 ]

On the application of molecular-dynamics simulations to validate thermal parameters and to optimize TLS-group selection for macromolecular refinement

N. M. Glykos

Synopsis: Molecular-dynamics simulations of a small protein allowed an experimentally verifiable optimization of TLS-group selection.

PDB reference: 1qx8

Online 15 May 2007

 

Acta Cryst. (2007). D63, 714-721  [ doi:10.1107/S0907444907015557 ]

Crystal structure of CD59: implications for molecular recognition of the complement proteins C8 and C9 in the membrane-attack complex

Y. Huang, A. Fedarovich, S. Tomlinson and C. Davies

Synopsis: The crystal structure of the human complement protein CD59 is presented at 2.1 Å resolution. This structure is compared with a previous NMR model and the binding region for C8 and C9 is mapped.

PDB reference: 2ofs

Online 15 May 2007

 

Acta Cryst. (2007). D63, 722-729  [ doi:10.1107/S0907444907016204 ]

Structural and pharmacological comparison of daboiatoxin from Daboia russelli siamensis with viperotoxin F and vipoxin from other vipers

G. Gopalan, M.-M. Thwin, P. Gopalakrishnakone and K. Swaminathan

Synopsis: The structure of the phospholipase A₂ toxin daboiatoxin from D. russelli siamensis (Myanmar) snake venom is reported.

PDB reference: 2h4c

Online 15 May 2007

 

Acta Cryst. (2007). D63, 730-737  [ doi:10.1107/S0907444907017027 ]

Structure of human upstream binding factor HMG box 5 and site for binding of the cell-cycle regulatory factor TAF1

H. Rong, Y. Li, X. Shi, X. Zhang, Y. Gao, H. Dai, M. Teng, L. Niu, Q. Liu and Q. Hao

Synopsis: The 2.0 Å resolution crystal structure of hUBF HMG box5 has been solved using the single-wavelength anomalous-dispersion method, and the possible sites in hUBF HMG box5 which may interact with the first bromodomain in TAF1 were proposed.

PDB reference: 2hdz

Online 15 May 2007

 

Acta Cryst. (2007). D63, 738-743  [ doi:10.1107/S0907444907019695 ]

Structure of the Streptococcus agalactiae family II inorganic pyrophosphatase at 2.80 Å resolution

M. K. Rantanen, L. Lehtiö, L. Rajagopal, C. E. Rubens and A. Goldman

Synopsis: The structure of S. agalactiae family II inorganic pyrophosphatase in the presence of the competitive inhibitor imidodiphosphate was solved at 2.80 Å resolution by molecular replacement. Its structure is compared with those of other family II pyrophosphatases and structurally possible phosphorylation sites are discussed.

PDB reference: 2enx

Online 15 May 2007

 

Acta Cryst. (2007). D63, 744-749  [ doi:10.1107/S0907444907016605 ]

Pseudo-merohedral twinning in monoclinic crystals of human orotidine-5'-monophosphate decarboxylase

J. G. Wittmann and M. G. Rudolph

Synopsis: The crystal structure of orotidine-5'-monophosphate decarboxylase, the C-terminal domain of human UMP synthase, was determined by molecular replacement using data from highly pseudo-merohedrally twinned monoclinic crystals with a c unit-cell parameters.

Online 15 May 2007

 

Acta Cryst. (2007). D63, 750  [ doi:10.1107/S0907444907013558 ]

Present at the Flood

Online 15 May 2007