forthcoming articles

The following articles are a selection of those recently accepted for publication in Acta Crystallographica Section D: Structural Biology.

See also Forthcoming articles in all IUCr journals.

Accepted 12 February 2019

The third structural switch in the molecule of archaeal translation initiation factor 2 and its possible role in initiation of GTP hydrolysis and removal of aIF2 from the ribosome

The structure of aIF2γ in complex with GTPCP without Mg2+ ions in crystallization solution is determined and the new information about the role of Mg2+ ions in the function of aIF2ing is provided. The new functional region (switch 3) of the aIF2γ is discovered.

Accepted 4 February 2019

Conformational changes in the third PDZ domain of the neuronal postsynaptic density protein 95

Crystal structures of the third PDZ domain of the neuronal postsynaptic density protein 95 lacking the third α-helix and protein variants D332P and D332G show conformational plasticity.

Accepted 30 January 2019

Refinement of protein structures using a combination of quantum-mechanical calculations with neutron and X-ray crystallographic data

We have developed a method to combine quantum mechanical calculations and joint crystallographic refinement against X-ray and neutron data. Applications to structures of the galectin-3 C–lactose complex and lytic polysaccharide monooxygenase show that it can improve the geometry for water molecules, deuterium atoms and hydrogen bonds, as well as determine protonation states of key residues.

Accepted 16 January 2019

X-ray structure of an inactive zymogen clostripain-like protease from Parabacteroides distasonis

Cysteine proteases are among the most prominent hydrolytic enzymes produced by human distal gut commensal bacteria. Here, the first inactive zymogen structure of a clostripain-like C11 protease family member is reported from the bacterium P. distasonis.

Accepted 14 January 2019

Crystal structures of pyrrolidone-carboxylate peptidase I from Deinococcus radiodurans reveal the mechanism of L-pyroglutamate recognition

Accepted 4 January 2019

In-house high-energy-remote SAD phasing using the magic triangle: how to tackle the P1 low symmetry using multiple orientations of the same crystal of human IBA57 to increase the multiplicity

The paper describes the structure solution of human IBA57; to our knowledge, this is the only structure present in the Protein Data Bank which has been solved in-house by remote SAD phasing in space group P1 using only one crystal.

Accepted 3 January 2019

Engineered variants provide new insight into the structural properties important for activity of the highly dynamic, trimeric protein di­sulfide isomerase ScsC from Proteus mirabilis

Accepted 28 December 2018

The atypical thiol–di­sulfide exchange protein α-DsbA2 from Wolbachia pipientis is a homotrimeric di­sulfide isomerase

Accepted 19 December 2018

Strategies for sample delivery for femtosecond crystallography

Strategies for sample delivery of macromolecular crystals at X-ray free-electron lasers are reviewed, covering injection methods, fixed-target approaches and hybrid methods.

Accepted 17 December 2018

Coping with strong translational noncrystallographic symmetry and extreme anisotropy in molecular replacement with Phaser: human Rab27a

The solution of a structure of human Rab27a suffering from severe anisotropy and translational noncrystallographic symmetry was aided by identifying diffraction measurements with low information content.

Accepted 11 December 2018

Solution structures of long-acting insulin analogues and their complexes with albumin

Solution structures of complexes between human serum albumin and the two lipidated insulin analogues detemir and degludec are presented and models for the equilibria are suggested.

Accepted 10 December 2018

A 60-heme reductase complex from an anammox bacterium shows an extended electron-transfer pathway

The heterododecameric complex of a reducing octaheme cytochrome c with its redox partner shows an extended electron-transfer pathway.

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