John R. Helliwell
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View article: Towards patient-relevant structures: reviewing body-temperature biological macromolecules and their ligands for pharmaceutical applications
Towards patient-relevant structures: reviewing body-temperature biological macromolecules and their ligands for pharmaceutical applications Open
The aim of our structures for eventual clinical application is to be relevant. Regulation of pharmaceutical lead compounds, however, does not yet involve the need for patient-relevant macromolecular structures determined at 37°C, as it is …
View article: Macromolecular crystallography for mammalian body temperature in support of molecular biophysics methods
Macromolecular crystallography for mammalian body temperature in support of molecular biophysics methods Open
This review describes various molecular biophysics methods (crystallography, mass spectrometry, NMR spectroscopy, electron cryo-microscopy (cryoEM), free electron laser and X-ray photon correlation spectroscopy) which can be used to invest…
View article: Life satisfaction moderates the impact of daily stressors on well-being and health.
Life satisfaction moderates the impact of daily stressors on well-being and health. Open
The findings from this study advance our understanding of how life satisfaction might confer benefits for mental and physical health, primarily through moderating the effect of stress on poorer outcomes. We discuss the findings in the cont…
View article: Raw Data Letters - describing and publishing raw diffraction data in a FAIR way
Raw Data Letters - describing and publishing raw diffraction data in a FAIR way Open
IUCrData, the peer-reviewed open-access data publication from the International Union of Crystallography (IUCr), has launched a new section: Raw Data Letters as a collaborative innovation of IUCr Journals with the IUCr Committee on Data. F…
View article: Celebrating <i>JSR</i>'s 30th anniversary: reminiscences of a Main Editor
Celebrating <i>JSR</i>'s 30th anniversary: reminiscences of a Main Editor Open
Reminiscences of one of the founding Main Editors of JSR on its 30th anniversary.
View article: Glucose-6-phosphate dehydrogenase and its 3D structures from crystallography and electron cryo-microscopy
Glucose-6-phosphate dehydrogenase and its 3D structures from crystallography and electron cryo-microscopy Open
Glucose-6-phosphate dehydrogenase (G6PD) is the first enzyme in the pentose phosphate pathway. It has been extensively studied by biochemical and structural techniques. 13 X-ray crystal structures and five electron cryo-microscopy structur…
View article: Review of: "Evolution, Through the Lens of a Physicist"
Review of: "Evolution, Through the Lens of a Physicist" Open
3/biology-anautonomous-discipline from my point of view as a crystallographer and biophysicist.Namely, I am of course aware, and make some citations, of the holistic biologists' views of molecular biology.There are meeting points of the tw…
View article: Introduction to the Special Issue Tribute to Olga Kennard (1924–2023)
Introduction to the Special Issue Tribute to Olga Kennard (1924–2023) Open
The Cambridge Structure Database, hosted at the Cambridge Crystallographic Data Centre (CCDC), was instigated in 1965 by Olga Kennard thus implementing a vision first set out by John Desmond Bernal that a collection of crystal structures w…
View article: The evolution of raw data archiving and the growth of its importance in crystallography
The evolution of raw data archiving and the growth of its importance in crystallography Open
The hardware for data archiving has expanded capacities for digital storage enormously in the past decade or more. The IUCr evaluated the costs and benefits of this within an official working group which advised that raw data archiving wou…
View article: Time-series analysis of rhenium(I) organometallic covalent binding to a model protein for drug development
Time-series analysis of rhenium(I) organometallic covalent binding to a model protein for drug development Open
Metal-based complexes with their unique chemical properties, including multiple oxidation states, radio-nuclear capabilities and various coordination geometries yield value as potential pharmaceuticals. Understanding the interactions betwe…
View article: The Evolution of Raw Data Archiving and the Growth of Its Importance in Crystallography
The Evolution of Raw Data Archiving and the Growth of Its Importance in Crystallography Open
The hardware for data archiving has expanded capacities for digital storage enormously in the past decade or more. This article charts the efforts of IUCr to facilitate discussions and plans relating to raw data archiving and reuse within …
View article: <b>Dynamics and Kinetics in Structural Biology: Unravelling Function Through Time-Resolved Structural Analysis.</b> By Keith Moffat and Eaton E. Lattman. Wiley, New York, 2023, pp. 288. ISBN 978-1-119-69628-5. Price USD 161 (hardback), USD 128 (Kindle)
<b>Dynamics and Kinetics in Structural Biology: Unravelling Function Through Time-Resolved Structural Analysis.</b> By Keith Moffat and Eaton E. Lattman. Wiley, New York, 2023, pp. 288. ISBN 978-1-119-69628-5. Price USD 161 (hardback), USD 128 (Kindle) Open
John Helliwell provides a review of the book Dynamics and Kinetics in Structural Biology: Unravelling Function Through Time-Resolved Structural Analysis by Keith Moffat and Eaton E. Lattman.
View article: Body temperature protein X-ray crystallography at 37 °C: a rhenium protein complex seeking a physiological condition structure
Body temperature protein X-ray crystallography at 37 °C: a rhenium protein complex seeking a physiological condition structure Open
The retention of the covalent binding of an organometalllic rhenium complex to a protein at physiological body temperature (37 °C) is described and compared to the related 100 K crystal structure.
View article: Raw diffraction data and reproducibility
Raw diffraction data and reproducibility Open
In recent years, there has been a major expansion in digital storage capability for hosting raw diffraction datasets. Naturally, the question has now arisen as to the benefits and costs for the preservation of such raw, i.e., experimental …
View article: The interoperability of crystallographic data and databases
The interoperability of crystallographic data and databases Open
Interoperability of crystallographic data with other disciplines is essential for the smooth and rapid progress of structure-based science in the computer age. Within crystallography and closely related subject areas, there is already a hi…
View article: Observations on Laue diffraction within synchrotron radiation and neutron macromolecular crystallography research and developments
Observations on Laue diffraction within synchrotron radiation and neutron macromolecular crystallography research and developments Open
A seminal contribution in the domain of physiologically relevant biological structure and function determination was by Keith Moffat, of Cornell and latterly of the University of Chicago proposing that synchrotrons should offer the option …
View article: The Global Open Science Cloud: Vision and Initial Successes
The Global Open Science Cloud: Vision and Initial Successes Open
The Global Open Science Cloud has the potential to advance the way scientific data and resources are shared and accessed, and how global collaboration happens. However, addressing the challenges associated with its creation and ensuring in…
View article: CODATA, IUCr, PDBj collaboration for medical-protein crystal structure definitive versions of data files
CODATA, IUCr, PDBj collaboration for medical-protein crystal structure definitive versions of data files Open
Envisaging a process akin to a journal's peer review we have set up an IUCr and PDBj collaboration for medical-protein crystal structure definitive versions of data files within the CODATA GOSC Case Studies (see https://codata.org/initiati…
View article: <b>A History of Scientific Journals: Publishing at the Royal Society, 1665–2015</b>. By Aileen Fyfe, Noah Moxham, Julie McDougall-Waters and Camilla Mørk Røstvik. University College London Press, 2022. Pp. 664. Open access, https://doi.org/10.2307/j.ctv2gz3zp1.
<b>A History of Scientific Journals: Publishing at the Royal Society, 1665–2015</b>. By Aileen Fyfe, Noah Moxham, Julie McDougall-Waters and Camilla Mørk Røstvik. University College London Press, 2022. Pp. 664. Open access, https://doi.org/10.2307/j.ctv2gz3zp1. Open
A History of Scientific Journals: Publishing at the Royal Society, 1665–2015. By Aileen Fyfe, Noah Moxham, Julie McDougall-Waters and Camilla Mørk Røstvik. University College London Press, 2022. Pp. 664. Open access, https://doi.org/10.230…
View article: Golden oldies: ten crystallography articles that we think must be read
Golden oldies: ten crystallography articles that we think must be read Open
We have selected a set of ten `golden oldies', diverse crystallography articles to illustrate important moments in the development of our field of science and which form landmark papers in crystallography. They are a mixture of `science pu…
View article: Error estimates in atom coordinates and B factors in macromolecular crystallography
Error estimates in atom coordinates and B factors in macromolecular crystallography Open
The overall diffraction precision index (DPI) of a biological macromolecule crystal structure was first described by Cruickshank in 1999. This topical review proceeds from this point and describes the subsequent elaboration of the index to…
View article: <b>Scientific Testimony</b>. By Mikkel Gerken. Oxford University Press, 2022. Pp. 320. GBP 65. ISBN 9780198857273.
<b>Scientific Testimony</b>. By Mikkel Gerken. Oxford University Press, 2022. Pp. 320. GBP 65. ISBN 9780198857273. Open
This book analyses the variety of audiences that a scientist communicates with about their work and findings.It is a book of formal, clearly precise, language, but not impenetrably so.Occasionally the author relaxes into jargon.So, in Chap…
View article: Relating protein crystal structure to ligand-binding thermodynamics
Relating protein crystal structure to ligand-binding thermodynamics Open
An important interface between biophysical chemistry and biological crystal structures involves whether it is possible to relate experimental calorimetry measurements of protein ligand binding to 3D structures. This has proved to be challe…
View article: <b>The Knowledge Machine: How an Unreasonable Idea Created Modern Science</b>. By Michael Strevens. Penguin, 2022. Pp. 368. Price GBP 7.99 (Kindle), GBP 9.95 (paperback). ISBN 9780141981260.
<b>The Knowledge Machine: How an Unreasonable Idea Created Modern Science</b>. By Michael Strevens. Penguin, 2022. Pp. 368. Price GBP 7.99 (Kindle), GBP 9.95 (paperback). ISBN 9780141981260. Open
How does science work, and why is it so effective?Why did science arrive so late?I think that these are good questions.Chapter 1 starts with assessing Karl Popper's notion that 'science advances by falsification' versus Thomas Kuhn's that …