#CAMBRIDGE STRUCTURAL DATABASE 2017 INSTALL#
If you would prefer to download and install an update manually, then all of our updates are also made available via the 'Data & Software Updates' section of our Downloads page. More information is available via our Support section The CSD software suites have a built-in auto-update mechanism that makes updating the data and software easy, and will also notify you if an update is available. The zirconium metal-organic framework, with pbz topology (CSD refcode: IXETEM, DOI: 10.5517/1m8m8s) An example of a new addition to the subset is the first CSD structure of a Zr(IV)-based MOF with polybenzene (pbz) topology, (CSD refcode: IXETEM, DOI: 10.5517/1m8m8s). This includes Iomeprol, a contrast medium for medical imaging, that has been added to the CSD in three polymorphic forms (CSD refcode: EYUPUL, DOI: 10.5517/1kj, CSD refcode: EYUPUL01 DOI: 10.5517/1jh and CSD refcode: EYUPUL02, DOI: 10.5517/1hg).Ĭontrast medium Iomeprol (CSD refcode: EYUPUL, DOI: 10.5517/1kj)Īs a part of this data update we have also updated our subsets of Metal-Organic Framework (MOF) structures with thousands of additional entries, reaching a total of 79,526 entries for the main MOF subset. This takes the number of CSD Communications published in 2016 alone to over 4,400, which is a new record and demonstrates how keen the community are working to share more of their data. The data update includes 2,284 entries that have been published directly through the CSD as a CSD Communication. With 18,092 new entries, this update brings the total size of the CSD to over 876,000 entries. We are delighted to announce the release of the February 2017 update of the Cambridge Structural Database (CSD). This indium MOF shows rare continuous-breathing behaviour through flexible pore opening and closing.įlexible MOF SHF-61, (refcode: LAPPIE, DOI: 10.5517/1n56bc) The Cambridge Structural Database Data Update - February 2017 The subset now contains an extra 1,830 entries taking the total to over 81,000, including the diamondoid MOF SHF-61 (refcode: LAPPIE DOI: 10.5517/1n56bc). Containing over 900,000 entries from x-ray and neutron diffraction analyses, this unique database of accurate 3D structures has become an essential resource to scientists around the world. We have once again updated our subset of Metal-Organic Framework (MOF) structures. Established in 1965 by the Cambridge Crystallographic Data Centre (CCDC), the Cambridge Structural Database (CSD) is the world’s repository for small-molecule organic and metal-organic crystal structures. Polymorph II of Tolazamide at 5.45GPa, (refcode: CABCUD23, DOI: 10.5517/1m3nr4)
The structure of polymorph II was determined at high pressure without conversion to polymorph I.
This update includes a new structure of the anti-diabetic drug, tolazamide (refcode: CABCUD23, DOI: 10.5517/1m3nr4). With 15,409 new entries, this update brings the total size of the CSD to over 892,000 entries. The substrate molecule, CTP, is highlighted in red as it is present in the 5trd structure (E) ArchSchema network of related domain architectures, the enlarged, gray box representing the two‐domain architecture of 5trd (green and red boxes), and the other architectures featuring either the green or red domains.We are pleased to announce the release of the May 2017 update of the Cambridge Structural Database (CSD). 2.7.1.161 showing the reactants and products involved. (A) Schematic “wiring diagram” of the protein's secondary structure-including strands (pink arrows), helices (purple springs), and other motifs in red (e.g., β‐hairpins, γ‐turns, etc) (B) schematic diagram illustrating the protein's topology in terms of how the β‐strands (pink arrows) are arranged into β‐sheets, and the relative disposition of the α‐helices (red cylinders) (C) Ramachandran plot from PROCHECK showing the distribution of the protein's main chain φ‐ψ torsion angles (blue squares) relative to the “core” (red) and “allowed” (brown) regions, with residues falling in the “generously allowed” (dark yellow) and “disallowed” (pale yellow) regions plotted as red squares and labeled (D) enzyme reaction diagram for E.C.
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