Acta Crystallographica Section D

Biological Crystallography

Volume 63, Part 12 (December 2007)


	Cover illustration: Superposition of different binding modes in complex structures of -ketoacyl-ACP-syntase (KAS I) with the ligands thiolactomycin (cyan), cerulenin (gold) and aminothiazole (green) (p. 1208).

research papers
short communications
letters to the editor

research papers

Acta Cryst. (2007). D63, 1201-1207 [ doi:10.1107/S0907444907048834 ]

Structures of human deoxycytidine kinase product complexes

E. V. Soriano, V. C. Clark and S. E. Ealick

Synopsis: The first crystal structures of human dCK in complex with products are reported.

PDB references: 2qrn and 2qro

Online 16 November 2007

Acta Cryst. (2007). D63, 1208-1216 [ doi:10.1107/S0907444907049852 ]

Structure-assisted discovery of an aminothiazole derivative as a lead molecule for inhibition of bacterial fatty-acid synthesis

G. Pappenberger, T. Schulz-Gasch, E. Kusznir, F. Müller and M. Hennig

Synopsis: [beta] -Ketoacyl-ACP synthase is a key target for the treatment of infectious diseases. A structure-based biophysical screening approach identified for the first time a synthetic small molecule, 2-phenylamino-4-methyl-5-acetylthiazole, that binds to the active site of the enzyme. Implications for the use of this information in drug discovery are discussed.

PDB references: 2vb7, 2vb8, 2vb9 and 2vba

Online 16 November 2007

Acta Cryst. (2007). D63, 1217-1224 [ doi:10.1107/S0907444907050433 ]

Structure of the branched-chain keto acid decarboxylase (KdcA) from Lactococcus lactis provides insights into the structural basis for the chemoselective and enantioselective carboligation reaction

C. L. Berthold, D. Gocke, M. D. Wood, F. J. Leeper, M. Pohl and G. Schneider

Synopsis: Crystal structures of recombinant branched-chain keto acid decarboxylase (KdcA) from L. lactis were determined as a binary complex with the cofactor thiamin diphosphate and as a complex with an analogue of a reaction intermediate to 1.6 and 1.8 Å resolution, respectively.

PDB references: 2vbg and 2vbf

Online 16 November 2007

Acta Cryst. (2007). D63, 1225-1234 [ doi:10.1107/S0907444907051463 ]

Structure of the human Tim44 C-terminal domain in complex with pentaethylene glycol: ligand-bound form

N. Handa, S. Kishishita, S. Morita, R. Akasaka, Z. Jin, J. Chrzas, L. Chen, Z.-J. Liu, B.-C. Wang, S. Sugano, A. Tanaka, T. Terada, M. Shirouzu and S. Yokoyama

Synopsis: Familial oncocytic thyroid carcinoma is associated with a missense mutation, P308Q, in the C-terminal domain of Tim44. Here, the crystal structure of the human Tim44 C-terminal domain in complex with pentaethylene glycol at 1.9 Å resolution is reported.

PDB reference: 2cw9

Online 16 November 2007

Acta Cryst. (2007). D63, 1235-1242 [ doi:10.1107/S0907444907052146 ]

On the interrelationship between atomic displacement parameters (ADPs) and coordinates in protein structures

M. S. Weiss

Synopsis: A simple three-parameter ADP model for macromolecules has been devised and examined with respect to its potential use in macromolecular crystallography.

Online 16 November 2007

Acta Cryst. (2007). D63, 1243-1253 [ doi:10.1107/S0907444907052985 ]

Comparison of two T-state structures of regulatory-chain mutants of Escherichia coli aspartate transcarbamoylase suggests that His20 and Asp19 modulate the response to heterotropic effectors

B. Stec, M. K. Williams, K. A. Stieglitz and E. R. Kantrowitz

Synopsis: Two structures of regulatory chain mutants Asp19Ar and His20Ar of E. coli aspartate transcabomylase are presented. Small structural changes illustrate small, but significant, changes in kinetic behavior of both mutant enzymes and suggest that His20 and Asp19 participate in heterotropic regulatory pathways.

PDB references: 2qg9 and 2qgf

Online 16 November 2007

Acta Cryst. (2007). D63, 1254-1268 [ doi:10.1107/S0907444907054224 ]

Triclinic lysozyme at 0.65 Å resolution

J. Wang, M. Dauter, R. Alkire, A. Joachimiak and Z. Dauter

Synopsis: The crystal structure of triclinic hen egg-white lysozyme refined at 0.65 Å resolution is presented.

PDB reference: 2vb1

Online 16 November 2007

short communications

Acta Cryst. (2007). D63, 1269-1273 [ doi:10.1107/S0907444907050226 ]

Structure of the Bacillus subtilis OhrB hydroperoxide-resistance protein in a fully oxidized state

D. R. Cooper, Y. Surendranath, Y. Devedjiev, J. Bielnicki and Z. S. Derewenda

Synopsis: A 2.1 Å resolution crystal structure of the B. subtilis organic hydroperoxide-resistance protein B reveals details of the stereochemistry of the disulfide bonds in the transient oxidized form of the enzyme.

PDB reference: 2bjo

Online 16 November 2007