Publications

42 papers, preprints and other outputs, each with a one-paragraph summary of the main finding.

2024

2022

2021

MAPR origins reveal a new class of prokaryotic cytochrome b5 proteins and possible role in eukaryogenesis

Tamarit D, Teakel S, Marama M, Aragão D, Gerdes SY, Forwood JK, Ettema TJG, Cahill MA

bioRxiv (preprint) (2021) · Other

The MAPR protein family, which includes the human progesterone-receptor-associated protein PGRMC1, turns out to be related to a newly recognised class of bacterial cytochrome b5 proteins. The first structure of this class (6NZX) shares the MAPR-like fold and haem orientation, supporting a bacterial origin for the family.

6NZX

2020

Crystal structure of posnjakite formed in the first crystal water-cooling line of the ANSTO Melbourne Australian Synchrotron MX1 Double Crystal Monochromator

Mills S, Aishima J, Aragão D, Caradoc-Davies TT, Cowieson N, …, Price JR

Acta Crystallogr E Crystallogr Commun (2020) · Methods / instrumentation · PubMed

Unusually large crystals of the copper mineral posnjakite grew from corrosion inside a water-cooling line of the MX1 monochromator at the Australian Synchrotron; their structure was solved with synchrotron radiation.

2019

2018

2017

The mechanism of catalysis by type-II NADH:quinone oxidoreductases

Blaza JN, Bridges HR, Aragão D, Dunn EA, Heikal A, Cook GM, Nakatani Y, Hirst J

Sci Rep (2017) · PubMed

Kinetics, mutagenesis and structures show that NDH-2 handles its two substrates independently at separate sites, so the reaction can follow either a ping-pong or a ternary mechanism. This reconciles conflicting earlier data on this antimicrobial target.

5KMP5KMQ5KMR5KMS

2016

Structural and Functional Characterization of the PaaI Thioesterase from Streptococcus pneumoniae Reveals a Dual Specificity for Phenylacetyl-CoA and Medium-chain Fatty Acyl-CoAs and a Novel CoA-induced Fit Mechanism

Khandokar YB, Srivastava P, Sarker S, Swarbrick CMD, Aragão D, Cowieson N, Forwood JK

J Biol Chem (2016) · PubMed

The PaaI thioesterase from Streptococcus pneumoniae is a tetramer of double hotdog domains that can hydrolyse both phenylacetyl-CoA and medium-chain fatty acyl-CoAs, and binds CoA through an induced-fit mechanism.

2015

Ternary structure reveals mechanism of a membrane diacylglycerol kinase

Li D, Stansfeld PJ, Sansom MSP, Keogh A, Vogeley L, …, Aragão D, …, Caffrey M

Nat Commun (2015) · PubMed

Diacylglycerol kinase captured with both its lipid substrate and an ATP analogue, with the phosphate positioned for transfer. This led to a proposed catalytic mechanism and evidence that the active site arose by convergent evolution.

4UXW

2014

Operation of the Australian Store.Synchrotron for macromolecular crystallography

Meyer GR, Aragão D, Mudie NJ, Caradoc-Davies TT, McGowan S, …, Androulakis S

Acta Crystallogr D Biol Crystallogr (2014) · Methods / instrumentation · PubMed

Store.Synchrotron, the cloud-based service that automatically archives raw diffraction data and metadata from the Australian Synchrotron MX beamlines and lets users share them. It handled 22.4 TB in its first nine months.

2013

2012

Structural insights into electron transfer in caa3-type cytochrome oxidase

Lyons JA, Aragão D, Slattery O, Pisliakov AV, Soulimane T, Caffrey M

Nature (2012) · PubMed

The 2.36 Å structure of the Thermus thermophilus caa3 oxidase, which carries its own cytochrome c domain, shows how the electron-transfer complex between cytochrome c and the oxidase is built, and revealed a new membrane subunit and a bound native lipid.

2YEV

2011

Fast fluorescence techniques for crystallography beamlines

Stepanov S, Hilgart M, Yoder DW, Makarov O, Becker M, …, Aragão D, …, Fischetti RF

J Appl Crystallogr (2011) · Methods / instrumentation · PubMed

New X-ray fluorescence tools on the GM/CA beamlines at the Advanced Photon Source: fast on-the-fly energy scans, fluorescence rastering to find small or invisible crystals, and automatic signal optimisation to reduce radiation damage.

The Lipidic Cubic Phase as a Membrane Mimetic

Höfer N, Aragão D, Caffrey M

Biophys J (meeting abstract) (2011) · Other

Meeting abstract on using the lipidic cubic phase as a mimic of the cell membrane, from the in meso crystallisation work on transmembrane peptides.

2010

Crystallizing transmembrane peptides in lipidic mesophases

Höfer N, Aragão D, Caffrey M

Biophys J (2010) · PubMed

Linear gramicidin, a 15-residue transmembrane peptide, gave structure-grade crystals in lipidic mesophases. This showed that the in meso method also works for very small membrane proteins and peptides, contrary to earlier expectations.

2XDC

2008

Structural and functional relationships in the hybrid cluster protein family: structure of the anaerobically purified hybrid cluster protein from Desulfovibrio vulgaris at 1.35 A resolution

Aragão D, Mitchell EP, Frazão CF, Carrondo MA, Lindley PF

Acta Crystallogr D Biol Crystallogr (2008) · PubMed

The hybrid cluster protein from D. vulgaris, purified and crystallised without oxygen and solved by MAD at the iron edge (1.35 Å). Its similarity to carbon monoxide dehydrogenases helps explain the hybrid cluster and predicts a dimeric structure for class 3 proteins.

1W9M

2007

The complex of Sphingomonas elodea ATCC 31461 glucose-1-phosphate uridylyltransferase with glucose-1-phosphate reveals a novel quaternary structure, unique among nucleoside diphosphate-sugar pyrophosphorylase members

Aragão D, Fialho AM, Marques AR, Mitchell EP, Sá-Correia I, Frazão C

J Bacteriol (2007) · PubMed

The structure of S. elodea UgpG, a key enzyme in making the food thickener gellan gum, reveals a quaternary structure not seen before in its enzyme family, even though each subunit closely resembles the related thymidylyltransferases.

2UX8

2006

Cloning, expression, purification, crystallization and preliminary structure determination of glucose-1-phosphate uridylyltransferase (UgpG) from Sphingomonas elodea ATCC 31461 bound to glucose-1-phosphate

Aragão D, Marques AR, Frazão C, Enguita FJ, Carrondo MA, Fialho AM, Sá-Correia I, Mitchell EP

Acta Crystallogr Sect F Struct Biol Cryst Commun (2006) · PubMed

Cloning, purification and crystallisation of glucose-1-phosphate uridylyltransferase (UgpG) from Sphingomonas elodea, the bacterium used to make gellan gum. Seven crystal forms were obtained and the phase problem was solved with osmium and selenomethionine derivatives.

2003

Reduced hybrid cluster proteins (HCP) from Desulfovibrio desulfuricans ATCC 27774 and Desulfovibrio vulgaris (Hildenborough): X-ray structures at high resolution using synchrotron radiation

Aragão D, Macedo S, Mitchell EP, Romão CV, Liu MY, …, Lindley P

J Biol Inorg Chem (2003) · PubMed

High-resolution structures of the hybrid cluster protein from two Desulfovibrio species, solved after reduction (1.25 and 1.55 Å). The protein fold is unchanged, but the iron and sulfur atoms of the unusual hybrid cluster move, giving clues to how these proteins work.

1OA01OA1

Structure of dimeric cytochrome c3 from Desulfovibrio gigas at 1.2 A resolution

Aragão D, Frazão C, Sieker L, Sheldrick GM, LeGall J, Carrondo MA

Acta Crystallogr D Biol Crystallogr (2003) · PubMed

The dimeric cytochrome c3 from Desulfovibrio gigas, refined to 1.2 Å. Comparing it with every known cytochrome c3 domain revealed regions conserved despite very different sequences, and a buried water molecule that probably carries electrons between two of the haems.

1GYO