Blog - The Cambridge Crystallographic Data Centre (CCDC)

Happy 50th anniversary to our friends at the PDB!

Ashley Moreno – Fri, 13 Aug 2021 14:39:00 GMT

This year the CCDC and the Protein Data Bank (PDB) are hosting a day-long symposium at the American Chemical Society’s (ACS) Fall 2021 meeting. The conference theme is “the resiliency of chemistry,” and our symposium focuses on understanding enzyme function in 3D.

Learnings from our Discovery Science Conference: High-performance data meets high-performance computing

Susan Reutzel-Edens – Thu, 17 Jun 2021 22:32:00 GMT

We recently hosted our 2021 Discovery Science Conference: High-performance data meets high-performance computing. Over the course of the two-day event, leading researchers discussed how drug discovery continues to evolve – with data-driven approaches answering more questions than ever about novel and improved active pharmaceutical ingredients (APIs). Here are some of our key takeaways.

GOLD in action: Virtual screening to repurpose drugs for COVID-19

Vera Prytkova – Tue, 16 Feb 2021 12:34:00 GMT

Here we highlight a paper which used virtual screening to identify drugs which could be repurposed to inhibit SARS-CoV-2 MPro (COVID-19). Part of our series highlighting examples of CCDC tools in action by scientists around the world.

Could the "Sunshine Vitamin" help in the fight against COVID-19?

Zainab Abdulali – Wed, 04 Nov 2020 10:35:00 GMT

The Sunshine Vitamin and COVID-19

Scientists have been looking for volunteers to take part in a new study to investigate the impacts of vitamin D, the 'sunshine vitamin', on the immune system. The study aims to determine whether taking vitamin D can help to increase immunity against respiratory diseases, including COVID-19, as some studies suggest a correlation between people with lower vitamin D levels and more severe COVID-19 symptoms.

The impact of COVID-19 on the CSD

Suzanna Ward – Thu, 10 Sep 2020 10:00:00 GMT

Since a pandemic was declared nearly 6 months ago we have been closely monitoring what impact this has had for our users, depositors and the Cambridge Structural Database (CSD). We thought it was about time we shared some of our observations and hopefully give you some positive news for a change.

Drugs, pesticides and COVID-19 drug subsets - new in 2020.2 release

Seth Wiggin – Mon, 24 Aug 2020 10:48:00 GMT

The 2020.2 CSD Release includes another 12,000+ CSD entries since the last data update in June and takes the total size of the CSD to over 1.08 million entries. Whilst this impressive rate of growth is testament to the ongoing efforts of scientists around the world, who publish and share the outcomes of their research with the community, the sheer size and diversity of structures in the CSD can be somewhat daunting.

To help researchers investigate insights into particular categories of compounds, the 2020.2 CSD Release has extended the range of available subsets, with new lists of structures focused on drugs, pesticides and those structures that have been highlighted as being of interest in the fight against COVID-19. These new CSD subsets add to the existing subsets that include ‘best representative’ lists for statistical analysis of the CSD, subsets of metal-organic frameworks (MOFs) and CSD entries containing information on atomic anisotropic displacement parameters (ADPs; otherwise known as thermal ellipsoids).

Dexamethasone briefing - its chemistry and history

Jason Cole – Wed, 17 Jun 2020 12:13:00 GMT

On 16^th June news outlets around the world reported the fantastic results seen in trials using dexamethasone in critically ill COVID-19 patients. This quick briefing explores the chemistry and history of this compound, and what could be coming next.

CCDC Research on COVID-19 - 9th April update

Jason Cole – Thu, 09 Apr 2020 09:16:00 GMT

Since my last article almost 2 weeks ago progress has been made on several projects, so I wanted to provide a quick update.

CCDC Research on COVID-19

Jason Cole – Mon, 30 Mar 2020 09:26:00 GMT

The CCDC is actively seeking areas where we can assist in the fight against the nefarious SARS-Cov2 disease currently taking hold around the world.

We’ve already started committing to research time and have noted several collaborative efforts.

Molecules of interest in the fight against COVID-19

Suzanna Ward – Thu, 26 Mar 2020 14:12:00 GMT

At the CCDC we have been deeply saddened by the devastating impact that COVID-19 has had around the world. During these difficult times it has, however, been heart-warming to see the scientific community coming together to try to find a cure and a vaccine.

Blog COVID-19

Happy 50th anniversary to our friends at the PDB!

Learnings from our Discovery Science Conference: High-performance data meets high-performance computing

GOLD in action: Virtual screening to repurpose drugs for COVID-19

Could the "Sunshine Vitamin" help in the fight against COVID-19?

The impact of COVID-19 on the CSD

Drugs, pesticides and COVID-19 drug subsets - new in 2020.2 release

Dexamethasone briefing - its chemistry and history

CCDC Research on COVID-19 - 9th April update

CCDC Research on COVID-19

Molecules of interest in the fight against COVID-19

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