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 20 July 2017

Crystal structures of methyltransferase and helicase from the ZIKA 1947 MR766 Uganda strain

We report high-resolution structures of the ZIKA virus (strain MR766) methyltransferase and helicase proteins.

Accepted 18 July 2017

The structure of the Pfp1 protease from a hyperthermophilic archaeon, Thermococcus thioreducens, in two crystal forms

The structure of the Pfp1 intracellular protease from Thermococcus thioreducens was solved in two crystal forms, one showing it to be a hexamer, and the other a dodecamer. Subunits are disulfide-linked in pairs and the very closely juxtaposed catalytic triads are formed across an interface with amino acids contributed by two separate subunits.

Accepted 12 July 2017

Protein structure determination by electron diffraction using a single three-dimensional nanocrystal

A single three-dimensional protein nanocrystal was used for structure determination using electron diffraction. Data were acquired using the rotation method with a Timepix hybrid pixel detector for low-dose data acquisition.

Accepted 5 July 2017

Structural basis for the regulation of chemotaxis by MapZ in the presence of c-di-GMP

The structure of CheR1 in complex with c-di-GMP-bound MapZ is reported and the complex biochemical process which involves CheR1, MapZ, SAH/SAM and c-di-GMP is revealed.

Accepted 3 July 2017

Binding of hydroxycitrate to human ATP-citrate lyase

Hydroxycitrate was co-crystallized with the amino-terminal portion of human ATP-citrate lyase in order to learn how this competitive inhibitor binds. Crystals diffracting to high resolution were obtained by adding cleavage sites in the protein to remove a disordered linker. This strategy could be useful for other proteins that do not crystallize well.

Accepted 3 July 2017

Model validation: local diagnosis, correction, and when to quit

An overview of current crystallographic model validation of protein and RNA, both foundations and criteria, at all resolution ranges is provided, together with advice on how to correct specific types of problems, and on when you should not try so hard that you are overfitting.

Accepted 1 July 2017

AUSPEX: a graphical tool for X-ray diffraction data analysis

AUSPEX is a new software tool for the statistical analysis of single-crystal X-ray diffraction data. It can be used to identify problems in the data resulting from the experiment itself, image processing, data scaling or conversion.

Accepted 29 June 2017

Crystal structure of the PEG-bound SH3 domain of myosin IB from Entamoeba histolytica reveals its mode of ligand recognition

An in-depth analysis of the PEG-bound C-terminal SH3 domain of myosin IB from E. histolytica has been performed, which reveals the mode of ligand recognition and will be helpful in the identification of probable binding partners of E. histolytica myosin IB.

Accepted 14 June 2017

An overview of comparative modelling and resources dedicated to large-scale modelling of genome sequences

This paper reviews the recent advances in computational template-based structural modelling and proposes the subclustering of protein domain superfamilies to guide the template-selection process.

Accepted 14 June 2017

Protein–ligand complex structure from serial femtosecond crystallography using soaked thermolysin microcrystals and comparison with structures from synchrotron radiation

The applicability of the ligand-soaking method in serial femtosecond crystallography has been examined to examine the feasibility of pharmaceutical applications of X-ray free-electron lasers.

Accepted 12 June 2017

Toscana virus nucleoprotein oligomer organization observed in solution

The nucleoprotein of Toscana virus forms mainly open fivefold oligomers consistent with the encapsidation mechanism of phlebovirus RNA both in solution and under physiological conditions.

Accepted 11 June 2017

The role of conserved surface hydrophobic residues in the carbapenemase activity of the class D β-lactamases

The crystal structure of the class D carbapenemase OXA-143 from A. baumannii shows that a conserved valine residue on the protein surface controls access of the deacylating water molecule to the active site of the enzyme. Analysis of the structures of other class D carbapenemases implicates movement of juxtaposed surface valine and leucine residues in a universal deacylation mechanism for these enzymes.

Accepted 10 June 2017

Activity inhibition and crystal polymorphism induced by active-site metal swapping

The effect of ion swapping on the activity of an Arenaviridae exonuclease is reported.

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