• Image of Sophie Bryant

    Undruggable targets—a data-driven strategy to reveal binding sites

    It is estimated that 85% of the human proteome is considered undruggable(1)—finding effective ligands (pharmaceuticals) to target these proteins is considered exceptionally hard, or impossible.

    Here we pose that this may not be impossible! We examine what makes a protein “undruggable”, and present strategies which can be used against such targets.

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  • Image of Michael Francis

    CSD in action: predicting the formation of drug solvent adducts by computational crystal structure prediction

    In this blog we discuss work that used Cambridge Structural Database (CSD) and CCDC software to support a study related to the potential use of computational crystal structure prediction (CSP) to predict the formation of solvated forms of drug candidates. This is part of our series highlighting applications of the Cambridge Crystallographic Data Centre (CCDC) data and cheminformatics tools by scientists in industry and academia.

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  • Image of Paul McKeown

    June 2022 CSD data update

    We are pleased to announce the June 2022 data update of the Cambridge Structural Database (CSD) is now available. This second update of the year brings 15,450 new experimentally determined structures (15,998 new entries) which brings the total number of entries in the CSD to almost 1.2 million.

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  • Image of Sophie Bryant

    CSD in action: training a machine learning model to predict MOF pore accessibility with 80% certainty

    Here we highlight recent work that used metal-organic framework structures in the Cambridge Structural Database (CSD) to train a machine learning model to predict guest accessibility with over 80% certainty. Part of our series highlighting the use of the CSD by scientists around the world.

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  • Image of Michael Francis

    CSD in action: CSD-validated data helps discover compounds with 50% increase in potency for treatment of SMA

    In this article we discuss research carried out by scientists at Novartis using the Cambridge Structural Database (CSD) in the development of potent small-molecule splicing modulators for the treatment of spinal muscular atrophy (SMA). This is part of our series highlighting examples of​​ the Cambridge Crystallographic Data Centre (CCDC) tools in action by scientists around the world.

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  • Image of Ashley Moreno

    Three things solid form informatics can tell you about your drug candidate

    Solid form informatics allows researchers to assess exciting therapeutic candidates. By analyzing intra- and intermolecular interactions, geometries, and crystal structure packing, researchers are better able to understand the challenges associated with a potential new active pharmaceutical ingredient (API)—like polymorphism and manufacturing risks—in order to ensure the best candidates progress to the next stage of the development process. In this blog, we’ll look at three key insights that the CCDC’s solid form informatics approach can tell you about your drug candidate.

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    CCDC response to the hostilities in Ukraine

    CCDC is a not-for-profit UK-based charity committed to our mission: advancing structural science globally for the public benefit regardless of national political systems. After listening to our community of users, our staff and our trustees, we have decided to institute the following changes in response to the invasion of Ukraine by Russia. We are making our FAIRE programme available to scientists in Ukraine. FAIRE grants cover the cost of campus-level access to CSD-Enterprise for three years for researchers in countries with demonstrable need. Learn more and apply here.

    In keeping with our global mission, we will continue to accept crystal structures for deposit into the Cambridge Structural Database (CSD) so that scientists in both Ukraine and Russia can continue to publish their work and utilize CCDC’s Access Structures.

    The Centre will honour existing contractual relationships with Russia and Belarus for our software and services, but will not allow extensions to those contracts or any new contracts at this time.

    We will keep the situation under review and hope to resume normal services when possible. We wish for all scientists to stay safe and well at this difficult time.

     

    CCDC/Board of Trustees & Executive Management

  • Image of Ashley Moreno

    We're research scientists and experts in crystallography and materials science at CCDC and the University of Notre Dame: Ask us anything!

    The U.S. National Committee for Crystallography (USNC/Cr) of the National Academies of Sciences, Engineering, and Medicine is providing an online workshop series for students and researchers on the use, development, and maintenance of crystallographic and structural databases. CCDC is excited to present a two-day session at the event about the Cambridge Structural Database! To celebrate, we’re hosting a live AMA (ask me anything) via Twitter with the CCDC session host, Dr Jeff Lengyel, and departmental crystallographer at the University of Notre Dame, Dr Allen Oliver.

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  • Image of Ashley Moreno

    Q&A with Mihaela D. Smilova: building scalable drug discovery processes with fragment-based drug design

    In this Q&A-style blog with Mihaela D. Smilova (postgraduate researcher at the Centre for Medicines Discovery at Oxford University), learn about some of the advantages of fragment-based drug design, which she recently used for a drug design methodology called “ensemble hotspot mapping.”

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  • Image of Sophie Bryant

    Download scripts for the CSD Python API from the CSD GitHub repository

    The CSD GitHub repository is the place to download, edit, and share python scripts to perform chemistry tasks and analyses using the CSD Python API. Here we’ll explain how to access it.

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