• Image of Seth Wiggin

    Insights into drug-like compounds from crystal data

    As the size of the Cambridge Structural Database (CSD) has just passed one million structures, it seems an appropriate time to look at some of the applications of this ever-growing resource. Whilst the CSD is certainly useful as a central record of past data collections, perhaps the more significant benefits are the insights that can be gained from looking at this mass of data as a whole. In this blog, I’ll show some examples of what can be discovered from statistics generated from the CSD when looking at drug-like compounds. A paper written by CCDC colleagues with researchers from Pfizer and AstraZeneca (Journal of Pharmaceutical Sciences, Volume 108, Issue 5, 2019, Pages 1655-1662, https://doi.org/10.1016/j.xphs.2018.12.011) gives an in-depth statistical analysis of drug compounds in the CSD.

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  • Image of Suzanna Ward

    A million thanks

    Today marks a huge milestone in structural chemistry – the sharing of one million organic and metal-organic crystal structures, an achievement of which the entire community should be extremely proud! The creation of the Cambridge Structural Database (CSD) to share and distribute these structures is truly a team effort. Crystallographers worldwide deposit their data with us and our team of Deposition Coordinators and Scientific Editors here in Cambridge curate and enhance their structures into the database.

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  • Image of Peter Wood

    Enhanced protein handling and tailored searching

    We are pleased to announce the latest update of the CSD software including enhanced protein handling features throughout the CSD portfolio and greatly improved searching capabilities in the CSD Python API.

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  • Image of Philip Andrews

    CSD Annual Statistics Now Available!

    Did you know that every year we generate a range of annual statistics based on the Cambridge Structural Database (CSD)?  These allow us to see how the CSD is evolving and provide some insights into the direction small molecule structural chemistry is headed.

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  • Image of Eric Rogers

    More reasons to share your data as a CSD Communication!

    In recent years, CSD Communications has grown to be one of the most popular methods for publishing structural data among the crystallographic community with more than 15,000 CSD Communications published in the last 5 years and 28,000 published overall since the 1980s. This represents a formidable amount of structural data which without CSD Communications may never have been made available to the scientific community. To promote the benefits which this wealth of crystallographic data can offer to the research community, the CCDC has therefore recently been working to make CSD Communications more convenient to publish, access and cite.

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  • Image of Caroline Davies

    Fun with Crystals at the Cambridge Science Festival

    This year the CCDC decided to participate in the Cambridge Science Festival. The Cambridge Science Festival is two weeks of organised science outreach events available to the general public.  This year marks the 25th anniversary of the festival; that’s 25 years of providing the public with the opportunity to explore and discuss science as well as inspiring young people to consider a career in the STEM subjects (science, technology, engineering or maths).  The programme included debates, talks, exhibitions, workshops, interactive activities, films, comedy and performance, all held in lecture theatres, museums, cafes and galleries around Cambridge.[1]

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  • Image of Natalie Johnson

    In (crystallographic) data we trust?

    Data integrity investigations at the CCDC 

    The integrity of the data within the Cambridge Structural Database (CSD) is of great importance to the CCDC and, no doubt, to the many scientists across the world that use the CSD as part of their research. The CSD is a trusted repository of crystallographic data and as such we are taking a pro-active approach to ensuring the data that we store is both trustworthy and consistent, enabling scientists to find and utilise the best data for their research. Our overall aim is to be able to help depositors, peer reviewers and wider users of the CSD identify the quality and integrity of the data and to ensure, as far as possible, that there are no cases of fraud or plagiarism within the CSD.

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  • Image of Seth Wiggin

    CSD Data Curation – the challenge of a million structures

    In a recent blog - CSD Data Curation - The Human Touch -  we’ve described the work that goes on when new structures are added to the Cambridge Structural Database (CSD). However, It’s important to realise that this isn’t the end of the story -  as we get close to adding the one millionth structure to the CSD, it seems like an appropriate time to describe some of the processes we undertake at the CCDC to ensure that the data we make available to scientists continues to empower and inform their research long after it’s initial deposition.

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  • Image of Suzanna Ward

    Inspiring women in crystallography

    Today is International Women’s Day (IWD - #InternationalWomensDay), celebrated each year on the 8th of March, so what better day to recognise some of the many inspiring women in the field of crystallography.

    The beginnings of International Women’s Day started in 1909/1910 but it wasn’t until 1975 that it was adopted by the United Nations. Today IWD is celebrated in many countries worldwide and is even a public holiday for some. IWD can mean different things to different people, for some it is a chance to call for change and improve gender equality, for others it is the perfect opportunity to highlight the achievements of women in their fields and try to inspire a new generation.

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  • Image of Peter Wood

    Greater structural insight and clearer visualisation for metal-organic structures

    We are excited to announce the addition of a polyhedral display style to our Mercury software!

    Mercury offers a comprehensive range of tools for 3D structure visualisation, the exploration of crystal packing and the statistical analysis of CSD search data, providing an extensive array of options to aid the investigation and analysis of crystal structures. 

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