CCDC 1948849: Experimental Crystal Structure Determination

  • Zdeněk Dvořák (Contributor)
  • Felix Kopp (Contributor)
  • Cait M. Costello (Contributor)
  • Jazmin S. Kemp (Contributor)
  • Hao Li (Contributor)
  • Aneta Vrzalová (Contributor)
  • Martina Štěpánková (Contributor)
  • Iveta Bartoňková (Contributor)
  • Eva Jiskrová (Contributor)
  • Karolína Poulíková (Contributor)
  • Barbora Vyhlídalová (Contributor)
  • Lars U. Nordstroem (Contributor)
  • Chamini V. Karunaratne (Contributor)
  • Harmit S. Ranhotra (Contributor)
  • Kyu Shik Mun (Contributor)
  • Anjaparavanda P. Naren (Contributor)
  • Iain A. Murray (Contributor)
  • Gary H. Perdew (Contributor)
  • Julius Brtko (Contributor)
  • Lucia Toporova (Contributor)
  • Arne Schön (Contributor)
  • William G. Wallace (Contributor)
  • William G. Walton (Contributor)
  • Matthew R. Redinbo (Contributor)
  • Katherine Sun (Contributor)
  • Amanda Beck (Contributor)
  • Sandhya Kortagere (Contributor)
  • Michelle C. Neary (Contributor)
  • Aneesh Chandran (Contributor)
  • Saraswathi Vishveshwara (Contributor)
  • Maria M. Cavalluzzi (Contributor)
  • Giovanni Lentini (Contributor)
  • Julia Yue Cui (Contributor)
  • Haiwei Gu (Contributor)
  • John C. March (Contributor)
  • Shirshendu Chatterjee (Contributor)
  • Adam Matson (Contributor)
  • Dennis Wright (Contributor)
  • Kyle L. Flannigan (Contributor)
  • Simon A. Hirota (Contributor)
  • Ryan Balfour Sartor (Contributor)
  • Sridhar Mani (Contributor)
  • Aneta Vrzalová (Contributor)
  • Lars U. Nordstroem (Contributor)
  • Shirshendu Chaterjee (Contributor)
  • Sartor R. Balfour Sartor (Contributor)
  • Zdeněk Dvořák (Contributor)
  • Aneta Vrzalová (Contributor)
  • Ryan Balfour Sartor (Contributor)



An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
Date made available2020
PublisherThe Cambridge Structural Database
  • Targeting the pregnane X receptor using microbial metabolite mimicry

    Dvořák, Z., Kopp, F., Costello, C. M., Kemp, J. S., Li, H., Vrzalová, A., Štěpánková, M., Bartoňková, I., Jiskrová, E., Poulíková, K., Vyhlídalová, B., Nordstroem, L. U., Karunaratne, C. V., Ranhotra, H. S., Mun, K. S., Naren, A. P., Murray, I. A., Perdew, G. H., Brtko, J., Toporova, L., & 22 othersSchön, A., Wallace, W. G., Walton, W. G., Redinbo, M. R., Sun, K., Beck, A., Kortagere, S., Neary, M. C., Chandran, A., Vishveshwara, S., Cavalluzzi, M. M., Lentini, G., Cui, J. Y., Gu, H., March, J. C., Chatterjee, S., Matson, A., Wright, D., Flannigan, K. L., Hirota, S. A., Sartor, R. B. & Mani, S., Apr 7 2020, In: EMBO Molecular Medicine. 12, 4, e11621.

    Research output: Contribution to journalArticlepeer-review

    Open Access
    49 Scopus citations

Cite this