25 datasets found
  1. e

    CdiI immunity protein EcoliA0-like

    • ebi.ac.uk
    Updated Mar 13, 2025
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    (2025). CdiI immunity protein EcoliA0-like [Dataset]. https://www.ebi.ac.uk/interpro/entry/pfam/PF24172
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    Dataset updated
    Mar 13, 2025
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    CDI toxins are expressed by Gram-negative bacteria as part of a mechanism to inhibit the growth of neighbouring cells. This entry represents the inhibitor (CdiI, also called CdiI immunity protein) of the CdiA effector protein from Escherichia coli A0 34/86, and similar proteins. E.coli A0 CdiI adopts an alpha/beta structure consisting of a central antiparallel beta-sheet and alpha-helices packed on it PDB:5T86.

  2. OPA has moved

    • healthdata.gov
    • data.chhs.ca.gov
    • +1more
    application/rdfxml +5
    Updated Apr 8, 2025
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    chhs.data.ca.gov (2025). OPA has moved [Dataset]. https://healthdata.gov/State/OPA-has-moved/wu3r-ctk6
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    tsv, csv, application/rdfxml, xml, json, application/rssxmlAvailable download formats
    Dataset updated
    Apr 8, 2025
    Dataset provided by
    chhs.data.ca.gov
    Description

    OPA has moved! Please update your bookmarks!

    CalHHS are pleased to announce that the Office of the Patient Advocate is now part of the new Center for Data Insights and Innovation. We remain dedicated to providing Californians with data to help them make informed decisions about their health care.

    OPA's data products will now be found under the CDII Open Data Page or the CDII Webpage for Consumer Reports

  3. d

    Health Care Quality Report Card

    • catalog.data.gov
    • data.ca.gov
    • +1more
    Updated Nov 27, 2024
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    California Center for Data Insights and Innovation (2024). Health Care Quality Report Card [Dataset]. https://catalog.data.gov/dataset/health-care-quality-report-card-938d5
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    Dataset updated
    Nov 27, 2024
    Dataset provided by
    California Center for Data Insights and Innovation
    Description

    The California Health Care Quality Report Cards show the quality of health care for millions of Californians who get their care through medical groups and commercial insurance plans. Quality health care is getting the right care at the right time. The Health Plan Report Card data includes the 10 largest Health Maintenance Organizations (HMOs) and the 5 largest Preferred Provider Organizations (PPOs). The Medical Group - Commercial Report Card data includes 204 medical groups that have contracts with the HMOs listed in the Health Plan Report Card. The Medical Group - Medicare Report Card data includes 186 medical groups that have contracts with the Medicare Advantage plans listed in the Health Plan Report Card and serve Medicare Advantage members. The Counties data lists the counties served by each health plan and medical group included in the Report Cards. Note: This data is maintained by CDII and was formerly created by the CA Office of the Patient Advocate. For more information please visit the CDII OPA webpage

  4. Subcomponent Flexibility Enables Conversion between D4‑Symmetric CdII8L8 and...

    • acs.figshare.com
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    Updated Jun 3, 2023
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    Jesús Mosquera; Tanya K. Ronson; Jonathan R. Nitschke (2023). Subcomponent Flexibility Enables Conversion between D4‑Symmetric CdII8L8 and T‑Symmetric CdII4L4 Assemblies [Dataset]. http://doi.org/10.1021/jacs.5b12955.s003
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    txtAvailable download formats
    Dataset updated
    Jun 3, 2023
    Dataset provided by
    ACS Publications
    Authors
    Jesús Mosquera; Tanya K. Ronson; Jonathan R. Nitschke
    License

    Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
    License information was derived automatically

    Description

    A flexible tris-formylpyridine subcomponent A was observed to produce three distinct products following CdII-templated self-assembly with different anilines. Two of the products were CdII4L4 tetrahedra, one with ligands puckered inward, and the other outward. The third product was a CdII8L8 structure having all mer stereochemistry, contrasting with the fac stereochemistry of the tetrahedra. These three complexes were observed to coexist in solution. The equilibrium between them could be influenced through guest binding and specific interactions between aniline subcomponents, allowing a selected one of the three to predominate under defined conditions.

  5. e

    CdiI, C-terminal

    • ebi.ac.uk
    Updated Feb 28, 2019
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    (2019). CdiI, C-terminal [Dataset]. https://www.ebi.ac.uk/interpro/entry/IPR040509
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    Dataset updated
    Feb 28, 2019
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    This is the C-terminal domain of Contact-dependent growth inhibition immunity (CdiI) proteins present in Enterobacter cloacae. CdiI proteins neutralize CdiA-CT toxins to protect toxin-producing cells from auto-inhibition. Structural homology searches reveal that Enterobacter cloacae's CdiI is most similar to the Whirly family of single-stranded DNA-binding protein .

  6. Cdii fashions llc Import Company US

    • seair.co.in
    Updated Oct 8, 2018
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    Seair Exim (2018). Cdii fashions llc Import Company US [Dataset]. https://www.seair.co.in
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    .bin, .xml, .csv, .xlsAvailable download formats
    Dataset updated
    Oct 8, 2018
    Dataset provided by
    Seair Exim Solutions
    Authors
    Seair Exim
    Area covered
    United States
    Description

    Subscribers can find out export and import data of 23 countries by HS code or product’s name. This demo is helpful for market analysis.

  7. Data from: Secondary Ligand-Directed Assembly of CdII Coordination...

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    Updated Jun 4, 2023
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    Xianju Shi; Xia Wang; Linke Li; Hongwei Hou; Yaoting Fan (2023). Secondary Ligand-Directed Assembly of CdII Coordination Architectures: From 0D to 3D Complexes Based on Ferrocenyl Carboxylate [Dataset]. http://doi.org/10.1021/cg900566v.s002
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    txtAvailable download formats
    Dataset updated
    Jun 4, 2023
    Dataset provided by
    ACS Publications
    Authors
    Xianju Shi; Xia Wang; Linke Li; Hongwei Hou; Yaoting Fan
    License

    Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
    License information was derived automatically

    Description

    To investigate the influence of spatial extended direction and flexibility of secondary ligand on the resulting structure, eight new ferrocene-containing complexes with various dimensionalities have been synthesized by the reactions of CdII salts and 1,1′-bis(3-carboxy-1-oxopropyl)ferrocene (H2bfcs) with series of rationally selected N-heterocyclic spacers. When the small organic molecule 4-aminopyridine (apy) was employed as a secondary ligand, a one-dimensional (1D) linear complex {[Cd(bfcs)(apy)2]·H2O}n (1) was furnished, while the use of bis(azole) bridging ligands resulted in the formation of a 1D ribbon complex {[Cd(bfcs)(bbbm)1.5]·CH3OH·2H2O}n (2), a rare 1D quadruple-chain complex {[Cd(bfcs)(btmb)]·3H2O}n (3) and two two-dimensional (2D) puckered complexes {[Cd2(bfcs)2(pbbm)2]·2H2O}n (4) and {[Cd(bfcs)(bix)]·H2O}n (5) (bbbm = 1,1′-(1,4-butanediyl)bis-1H-benzimidazole, btmb = 4,4′-bis(1,2,4-triazole-1-ylmethyl)biphenyl, pbbm = 1,1′-(1,3-propanediyl)bis-1H-benzimidazole, bix = 1,4-bis(imidazole-1 -ylmethyl)benzene). In addition, the tripodal bridging secondary ligand led to an unusual three-dimensional (3D) layer pillar complex {[Cd2(bfcs)(titb)2Cl2]·2CH3OH·4H2O}n (6) (titb =1,3,5-tris(imidazol-1-ylmethyl)-2,4,6-trimethylbenzene). Employment of a flexible multidentate molecule tris(2-benzimidazolylmethyl)amine (ntb) as the secondary ligand gave birth to a mononuclear complex [Cd(bfcs)(ntb)]·DMF·5H2O (7) and a binuclear complex [Cd2(bfcs)(ntb)2]·bfcs·5H2O (8), in which ntb adopted the chelating coordination mode. It can be observed from the coordination architectures of 1−8 that secondary ligands had great effects on the spatial connective fashions of CdII centers, resulting in the formation of various dimensional complexes.

  8. f

    Inventory of cdiBCAI-type loci in Xenorhabdus and Photorhabdus genomes.

    • figshare.com
    xls
    Updated Jun 9, 2023
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    Jean-Claude Ogier; Bernard Duvic; Anne Lanois; Alain Givaudan; Sophie Gaudriault (2023). Inventory of cdiBCAI-type loci in Xenorhabdus and Photorhabdus genomes. [Dataset]. http://doi.org/10.1371/journal.pone.0167443.t001
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    xlsAvailable download formats
    Dataset updated
    Jun 9, 2023
    Dataset provided by
    PLOS ONE
    Authors
    Jean-Claude Ogier; Bernard Duvic; Anne Lanois; Alain Givaudan; Sophie Gaudriault
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Inventory of cdiBCAI-type loci in Xenorhabdus and Photorhabdus genomes.

  9. w

    cesarmlopez@cdii.com.mx - Reverse Whois Lookup

    • whoisdatacenter.com
    csv
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    AllHeart Web Inc, cesarmlopez@cdii.com.mx - Reverse Whois Lookup [Dataset]. https://whoisdatacenter.com/index.php/email/cesarmlopez@cdii.com.mx/
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    csvAvailable download formats
    Dataset authored and provided by
    AllHeart Web Inc
    License

    https://whoisdatacenter.com/index.php/terms-of-use/https://whoisdatacenter.com/index.php/terms-of-use/

    Time period covered
    Mar 15, 1985 - May 14, 2025
    Area covered
    Mexico
    Description

    Explore historical ownership and registration records by performing a reverse Whois lookup for the email address cesarmlopez@cdii.com.mx..

  10. Licensed and Certified Healthcare Facility Listing

    • data.chhs.ca.gov
    • data.ca.gov
    • +4more
    csv, pdf, tableau +2
    Updated May 20, 2025
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    California Department of Public Health (2025). Licensed and Certified Healthcare Facility Listing [Dataset]. https://data.chhs.ca.gov/dataset/healthcare-facility-locations
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    pdf, pdf(95299), tableau, xlsx(11897), csv(793019), csv(7727661), xlsx(16257), xlsx(30428), zipAvailable download formats
    Dataset updated
    May 20, 2025
    Dataset authored and provided by
    California Department of Public Healthhttps://www.cdph.ca.gov/
    Description

    Note: This web page provides data on health facilities only. To file a complaint against a facility, please see: https://www.cdph.ca.gov/Programs/CHCQ/LCP/Pages/FileAComplaint.aspx

    The California Department of Public Health (CDPH), Center for Health Care Quality, Licensing and Certification (L&C) Program licenses and certifies more than 30 types of healthcare facilities. The Electronic Licensing Management System (ELMS) is a CDPH data system created to manage state licensing-related data and enforcement actions. This file includes California healthcare facilities that are operational and have a current license issued by the CDPH and/or a current U.S. Department of Health and Human Services’ Centers for Medicare and Medicaid Services (CMS) certification.

    To link the CDPH facility IDs with those from other Departments, like HCAI, please reference the "Licensed Facility Cross-Walk" Open Data table at https://data.chhs.ca.gov/dataset/licensed-facility-crosswalk. Facility geographic variables are updated monthly, if latitude/longitude information is missing at any point in time, it should be available when the next time the Open Data facility file is refreshed.

    Please note that the file contains the data from ELMS as of the 11th business day of the month. See DATA_DATE variable for the specific date of when the data was extracted.

    Map of all Health Care Facilities in California: https://go.cdii.ca.gov/cdph-facilities

  11. Licensed and Certified Healthcare Facilities

    • data.ca.gov
    • data.chhs.ca.gov
    • +5more
    Updated May 20, 2025
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    California Department of Public Health (2025). Licensed and Certified Healthcare Facilities [Dataset]. https://data.ca.gov/dataset/licensed-and-certified-healthcare-facilities
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    arcgis geoservices rest api, zip, geojson, csv, kml, htmlAvailable download formats
    Dataset updated
    May 20, 2025
    Dataset authored and provided by
    California Department of Public Healthhttps://www.cdph.ca.gov/
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Note: This web page provides data on health facilities only. To file a complaint against a facility, please see: https://www.cdph.ca.gov/Programs/CHCQ/LCP/Pages/FileAComplaint.aspx

    The California Department of Public Health (CDPH), Center for Health Care Quality, Licensing and Certification (L&C) Program licenses and certifies more than 30 types of healthcare facilities. The Electronic Licensing Management System (ELMS) is a CDPH data system created to manage state licensing-related data and enforcement actions. This file includes California healthcare facilities that are operational and have a current license issued by the CDPH and/or a current U.S. Department of Health and Human Services’ Centers for Medicare and Medicaid Services (CMS) certification.

    To link the CDPH facility IDs with those from other Departments, like HCAI, please reference the "Licensed Facility Cross-Walk" Open Data table at https://data.chhs.ca.gov/dataset/licensed-facility-crosswalk. Facility geographic variables are updated monthly, if latitude/longitude information is missing at any point in time, it should be available when the next time the Open Data facility file is refreshed.

    Please note that the file contains the data from ELMS as of the 11th business day of the month. See DATA_DATE variable for the specific date of when the data was extracted. To access the CDPH Facilities map, follow this link: https://go.cdii.ca.gov/cdph-facilities

  12. f

    Data from: Self-Assembled Molecular Complexes and Coordination Polymers of...

    • acs.figshare.com
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    Updated May 30, 2023
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    Shantanu Hazra; Biswarup Sarkar; Subrata Naiya; Michael G. B. Drew; Antonio Frontera; Daniel Escudero; Ashutosh Ghosh (2023). Self-Assembled Molecular Complexes and Coordination Polymers of CdII, Hexamine, and Monocarboxylates: Structural Analysis and Theoretical Studies of Supramolecular Interactions [Dataset]. http://doi.org/10.1021/cg901245z.s002
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    txtAvailable download formats
    Dataset updated
    May 30, 2023
    Dataset provided by
    ACS Publications
    Authors
    Shantanu Hazra; Biswarup Sarkar; Subrata Naiya; Michael G. B. Drew; Antonio Frontera; Daniel Escudero; Ashutosh Ghosh
    License

    Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
    License information was derived automatically

    Description

    Four new cadmium(II) complexes [Cd2(bz)4(H2O)4(μ2-hmt)]·Hbz·H2O (1), [Cd3(bz)6(H2O)6(μ2-hmt)2]·6H2O (2), [Cd(pa)2(H2O)(μ2-hmt)]n (3), and {[Cd3(ac)6(H2O)3(μ3-hmt)2]·6H2O}n (4) with hexamine (hmt) and monocarboxylate ions, benzoate (bz), phenylacetate (pa), or acetate (ac) have been synthesized and characterized structurally. Structure determinations reveal that 1 is dinuclear, 2 is trinuclear, 3 is a one-dimensional (1D) infinite chain, and 4 is a two-dimensional (2D) polymer with fused hexagonal rings consisting of CdII and hmt. All the CdII atoms in the four complexes (except one CdII in 2) possess seven-coordinate pentagonal bipyramidal geometry with the various chelating bidentate carboxylate groups in equatorial sites. One of the CdII ions in 2, a complex that contains two monodentate carboxylates is in a distorted octahedral environment. The bridging mode of hmt is μ2- in complexes 1−3 but is μ3- in complex 4. In all complexes, there are significant numbers of H-bonds, C−H/π, and π−π interactions which play crucial roles in forming the supramolecular networks. The importance of the noncovalent interactions in terms of energies and geometries has been analyzed using high level ab initio calculations. The effect of the cadmium coordinated to hmt on the energetic features of the C−H/π interaction is analyzed. Finally, the interplay between C−H/π and π−π interactions observed in the crystal structure of 3 is also studied.

  13. f

    ITC and SPR data showing thermodynamic and kinetic parameters of...

    • plos.figshare.com
    • figshare.com
    xls
    Updated Jun 1, 2023
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    Soni Kaundal; Manju Uttam; Krishan Gopal Thakur (2023). ITC and SPR data showing thermodynamic and kinetic parameters of protein-protein interactions involved in UPEC536 mediated CDI system. [Dataset]. http://doi.org/10.1371/journal.pone.0159844.t002
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    xlsAvailable download formats
    Dataset updated
    Jun 1, 2023
    Dataset provided by
    PLOS ONE
    Authors
    Soni Kaundal; Manju Uttam; Krishan Gopal Thakur
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    ITC data were fit using one-site binding model for CdiA-CT(M)/CdiI and two site binding model for rest of the complexes. The parameters for the second binding site are shown in the parentheses.

  14. f

    Data from: Anion Control of the Self-Assembly of One-Dimensional Molecular...

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    txt
    Updated May 30, 2023
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    Guoqi Zhang; Guoqiang Yang; Jin Shi Ma (2023). Anion Control of the Self-Assembly of One-Dimensional Molecular Ladders vs Three-Dimensional Cross-like Arrays Based on a Bidentate Schiff Base Ligand [Dataset]. http://doi.org/10.1021/cg060173l.s001
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    txtAvailable download formats
    Dataset updated
    May 30, 2023
    Dataset provided by
    ACS Publications
    Authors
    Guoqi Zhang; Guoqiang Yang; Jin Shi Ma
    License

    Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
    License information was derived automatically

    Description

    The reaction of a conjugated bispyridyl-based Schiff base ligand L (L = 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene) with transition metal ions afforded two different structure types of coordination polymers depending on the choice of counteranions. The combination of ZnII or MnII acetate and L in solution yielded two novel infinite one-dimensional (1D) molecular ladder complexes 1 and 2 with a molecular composition of [M2L2(OAc)4·2(MeOH)]n, (M = ZnII or MnII), in which acetate anions serve as bridges. However, when replacing ZnII or MnII acetate with ZnII or CdII nitrate in the same reaction condition, two isomorphous 1D linear coordination polymers 3 and 4 with a molecular composition of [ML(NO3)2(H2O)2]n, (M = ZnII or CdII) were obtained. Interestingly, the 1D polymeric chains of 3 and 4 could be further assembled to a three-dimensional (3D) microporous cross-like array with layer-to-layer alternate arrangement resulting from interchain π···π stacking and hydrogen-bonding interactions with the presence of coordinated nitrate anions and water molecules. There are remarkably distinct coordination and molecular packing modes in the two types of complexes regardless of the nature of the metal ions used. These results indicate that the nature of the anions, which play different roles in forming two types of crystals, is the key factor directing the structural topologies. IR spectra and thermal behaviors of all four complexes have been characterized, and photoluminescent studies revealed that the ZnII and CdII complexes were fluorescent with medium intensity in the solid state.

  15. Data from: Supramolecular Coordination Complexes with 5-Sulfoisophthalic...

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    Updated Jun 7, 2023
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    Cheng-Peng Li; Qian Yu; Jing Chen; Miao Du (2023). Supramolecular Coordination Complexes with 5-Sulfoisophthalic Acid and 2,5-Bipyridyl-1,3,4-Oxadiazole: Specific Sensitivity to Acidity for Cd(II) Species [Dataset]. http://doi.org/10.1021/cg100144p.s002
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    txtAvailable download formats
    Dataset updated
    Jun 7, 2023
    Dataset provided by
    ACS Publications
    Authors
    Cheng-Peng Li; Qian Yu; Jing Chen; Miao Du
    License

    Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
    License information was derived automatically

    Description

    A series of CdII, CoII, NiII, and PbII mixed-ligand coordination complexes 1−8 based on 5-sulfoisophthalic acid (H3sip) and the bent dipyridyl ligand 2,5-bis(3-pyridyl)-1,3,4-oxadiazole (3-bpo) or its 4-pyridyl N-donor analogue (4-bpo) have been synthesized and fully characterized by IR spectra, microanalyses, and single crystal and powder X-ray diffraction techniques. The significant pH effect on assembly of the CdII complexes 1−4 has been demonstrated, which leads to the formation of distinct crystalline products, whereas the CoII, NiII, and PbII systems 5−8 are independent to pH condition of the synthetic reaction. Complexes 1−8 display various coordination motifs with different existing forms, conformations, and coordination modes of the organic ligands. Further, extended supramolecular networks are constructed via secondary interactions such as hydrogen-bonding and aromatic stacking. Solid-state properties of thermal stability and fluorescence for these crystalline materials are also presented.

  16. e

    P0DSM8

    • ebi.ac.uk
    Updated May 22, 2025
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    (2025). P0DSM8 [Dataset]. https://www.ebi.ac.uk/interpro/protein/P0DSM8
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    Dataset updated
    May 22, 2025
    License

    Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
    License information was derived automatically

    Description

    Immunity protein component of a toxin-immunity protein module, which functions as a cellular contact-dependent growth inhibition (CDI) system. CDI modules allow bacteria to communicate with and inhibit the growth of closely related neighboring bacteria in a contact-dependent fashion. Neutralizes the toxic activity of cognate toxin CdiA-NC101 (the C-terminal 154 residue CT fragment) (PubMed:26305955). Does not inhibit toxic activity of CdiA from other toxin-immunity modules or strains of E.coli (Probable). Mediates dimerization of the ternary CdiA-CT-NC101, CdiI-NC101 and EF-Tu complex; both CdiI molecules contact both EF-Tu molecules (PubMed:28973472)

  17. f

    Data from: Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions....

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    txt
    Updated Jun 2, 2023
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    Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer (2023). Cysteamine and Its Homoleptic Complexes with Group 12 Metal Ions. Differences in the Coordination Chemistry of ZnII, CdII, and HgII with a Small N,S-Donor Ligand [Dataset]. http://doi.org/10.1021/ic050814m.s002
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    txtAvailable download formats
    Dataset updated
    Jun 2, 2023
    Dataset provided by
    ACS Publications
    Authors
    Holger Fleischer; Yvonne Dienes; Bernd Mathiasch; Volker Schmitt; Dieter Schollmeyer
    License

    Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
    License information was derived automatically

    Description

    2-Ammoniumethanethiolate, -SCH2CH2NH3+, the first structurally characterized zwitterionic ammoniumthiolate, is the stable form of cysteamine (HL) in the solid state and in aqueous solution. Reactions of ZnCl2, Cd(Oac)2, and HgCl2 with cysteamine and NaOH in a 1:2:2 ratio, respectively, lead to the homoleptic complexes ML2. Their single-crystal X-ray structures demonstrate basic differences in the coordination chemistry of ZnII, CdII, and HgII. While chelating N,S-coordination modes are found for all metal ions, ZnII forms a mononuclear complex with a distorted tetrahedral Zn(N2S2) coordination mode, whereas HgII displays a dimer with Hg(N2S2) coordinated monomers being connected by two long Hg···S contacts. Solid-state 199Hg NMR spectra of HgL2 and [Hg(HL)2]Cl2 reveal a low-field shift of the signals with increasing coordination number. Strong and nearly symmetric Cd−S−Cd bridges in solid CdL2 lead to a chain structure, CdII displaying a distorted square pyramidal Cd(N2S3) coordination mode. The ab initio [MP2/LANL2DZ(d,f)] structures of isolated ML2 show a change from a distorted tetrahedral to bisphenoidal coordination mode in the sequence ZnII−CdII−HgII. A natural bond orbital analysis showed a high ionic character for the M−S bonds and suggests that the S−M−S fragment is best described by a 3c4e bond. The strength of the M···N interactions and the stability of ML2 toward decomposition to M and L−L decreases in the sequence Zn > Cd > Hg. Ab initio calculations further suggest that a tetrahedral S−M−S angle stabilizes ZnII against substitution by CdII and HgII in a M(N2S2) environment. Such geometry is provided in zinc-finger proteins, as was found by a database survey.

  18. Data from: Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite...

    • acs.figshare.com
    txt
    Updated Jun 1, 2023
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    Rafał Frydrych; Katarzyna Ślepokura; Andrzej Bil; Janusz Gregoliński (2023). Mixed Macrocycles Derived from 2,6-Diformylpyridine and Opposite Enantiomers of trans-1,2-Diaminocyclopentane and trans-1,2-Diaminocyclohexane [Dataset]. http://doi.org/10.1021/acs.joc.9b00614.s001
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    Dataset updated
    Jun 1, 2023
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    ACS Publications
    Authors
    Rafał Frydrych; Katarzyna Ślepokura; Andrzej Bil; Janusz Gregoliński
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    Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
    License information was derived automatically

    Description

    The condensation reaction of 2,6-diformylpyridine with an equimolar mixture of opposite enantiomers of trans-1,2-diaminocyclopentane and trans-1,2-diaminocyclohexane using a dynamic combinatorial chemistry approach has been examined. In nonmetal-templated reactions, depending on reaction conditions, mixed 2 + 1 + 1 macrocyclic imine or bigger mixed 4 + 2 + 2 imine macrocycle are formed selectively. The 2 + 1 + 1 imine used as a precursor in the templated by CdII ions produces a library of enlarged chiral mixed imines coordinated with metal cations among which the hexanuclear CdII complex of 6 + 3 + 3 imine was isolated and characterized. All macrocyclic imine compounds have been reduced to the corresponding macrocyclic amines, which have been further transformed into their hydrochlorides. Each macrocyclic compound has been obtained as two enantiomers. For imine macrocycles and for the hydrochloride derivatives of macrocyclic amines, their X-ray crystal structures have been determined. In particular, the crystals of protonated 4 + 2 + 2 macrocyclic amine, which contains two types of diastereomeric cations differing in terms of inverted twists of pyridine moieties, and hexanuclear CdII complex of 6 + 3 + 3 imine, which gives a deeper insight into the expansion reaction, have been investigated. A heterochiral self-sorting of 2 + 2 and 2 + 1 + 1 macrocyclic imines has been confirmed by a competition reaction of 2,6-diformylpyridine, racemic trans-1,2-diaminocyclopentane, and racemic trans-1,2-diaminocyclohexane and theoretical calculations.

  19. Data from: Fluorometric Chemosensors. Interaction of Toxic Heavy Metal Ions...

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    Updated May 31, 2023
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    M. Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Francesco Isaia; Alessandra Garau; Vito Lippolis; Fahimeh Jalali; Ulrich Papke; Mojtaba Shamsipur; Lorenzo Tei; Abdollah Yari; Gaetano Verani (2023). Fluorometric Chemosensors. Interaction of Toxic Heavy Metal Ions PbII, CdII, and HgII with Novel Mixed-Donor Phenanthroline-Containing Macrocycles:  Spectrofluorometric, Conductometric, and Crystallographic Studies [Dataset]. http://doi.org/10.1021/ic020270d.s001
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    Dataset updated
    May 31, 2023
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    ACS Publications
    Authors
    M. Carla Aragoni; Massimiliano Arca; Francesco Demartin; Francesco A. Devillanova; Francesco Isaia; Alessandra Garau; Vito Lippolis; Fahimeh Jalali; Ulrich Papke; Mojtaba Shamsipur; Lorenzo Tei; Abdollah Yari; Gaetano Verani
    License

    Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
    License information was derived automatically

    Description

    The macrocycles L1−L3 incorporating N2S3-, N2S2O-, and N2S2-donor sets, respectively, and containing the 1,10-phenanthroline unit interact in acetonitrile solution with heavy metal ions such as PbII, CdII, and HgII to give 1:1 ML, 1:2 ML2, and 2:1 M2L complex species, which specifically modulate the photochemical properties of the ligands. The stoichiometry of the complex species formed during spectrofluorometric titrations and their formation constants in MeCN at 25 °C were determined from fluorescence vs MII/L molar ratio data. The complexes [Pb(L1)][ClO4]2·1/2H2O (1), [Pb(L2)][ClO4]2·MeNO2 (1a), [Pb(L3)2][ClO4]2·2MeCN (1b), and [Cd(L3)][NO3]2 (2b) were also characterized by X-ray diffraction studies. The conformation adopted by L1−L3 in these species reveals the aliphatic portion of the rings folded over the plane containing the heteroaromatic moiety with the ligands trying to encapsulate the metal center within their cavity. In 1, 1a, and 2b the metal ion completes the coordination sphere by interacting with counteranion units and solvent molecules. On the contrary, the 1:2 complex 1b shows PbII sandwiched between two symmetry-related molecules of L3 reaching an overall [4N + 4S] eight-coordination.

  20. Data from: Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination...

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    Updated Jun 8, 2023
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    Kamal Kumar Bisht; Eringathodi Suresh (2023). Spontaneous Resolution of a Mixed-Ligand Nickel(II) Coordination Polymer with Achiral Precursors [Dataset]. http://doi.org/10.1021/ic301636z.s002
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    Dataset updated
    Jun 8, 2023
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    ACS Publications
    Authors
    Kamal Kumar Bisht; Eringathodi Suresh
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    Attribution-NonCommercial 4.0 (CC BY-NC 4.0)https://creativecommons.org/licenses/by-nc/4.0/
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    Description

    Metal-center-driven spontaneous resolution of a chiral coordination polymer, [Ni(SDB)(BIX)]n (1), from achiral precursors has been probed by single-crystal X-ray diffraction and circular dichroism spectroscopy. Enantiomorphs 1P and 1M showed a parallel interpenetrated 2D → 3D chiral framework with (82.10) topology. Switching of the metal center under the same reaction parameters resulted in isostructural achiral and noninterpenetrating (4,4) grid-type sql networks [M(SDB)(BIX)]n, where M = CoII, ZnII, and CdII for 2–4, respectively.

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(2025). CdiI immunity protein EcoliA0-like [Dataset]. https://www.ebi.ac.uk/interpro/entry/pfam/PF24172

CdiI immunity protein EcoliA0-like

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Dataset updated
Mar 13, 2025
License

Attribution 4.0 (CC BY 4.0)https://creativecommons.org/licenses/by/4.0/
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Description

CDI toxins are expressed by Gram-negative bacteria as part of a mechanism to inhibit the growth of neighbouring cells. This entry represents the inhibitor (CdiI, also called CdiI immunity protein) of the CdiA effector protein from Escherichia coli A0 34/86, and similar proteins. E.coli A0 CdiI adopts an alpha/beta structure consisting of a central antiparallel beta-sheet and alpha-helices packed on it PDB:5T86.

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