2021 EMDataResource Ligand Model Challenge Dataset

  • Catherine L. Lawson (Creator)
  • Andriy Kryshtafovych (Creator)
  • Grigore D. Pintilie (Creator)
  • Stephen K. Burley (Creator)
  • Jiří Černý (Creator)
  • Vincent B. Chen (Creator)
  • Paul Emsley (Creator)
  • Alberto Gobbi (Creator)
  • Andrzej Joachimiak (Creator)
  • Sigrid Noreng (Creator)
  • Michael Prisant (Creator)
  • Randy J. Read (Creator)
  • Jane S. Richardson (Creator)
  • Alexis L. Rohou (Creator)
  • Bohdan Schneider (Creator)
  • Benjamin D. Sellers (Creator)
  • Chenghua Shao (Creator)
  • Elizabeth Sourial (Creator)
  • Chris I. Williams (Creator)
  • Christopher J. Williams (Creator)
  • Ying Yang (Creator)
  • Venkat Abbaraju (Creator)
  • Pavel V. Afonine (Creator)
  • Matthew L. Baker (Creator)
  • Paul Bond (Creator)
  • Tom L. Blundell (Creator)
  • Tom Burnley (Creator)
  • Arthur Campbell (Creator)
  • Renzhi Cao (Creator)
  • Jianlin Cheng (Creator)
  • Grzegorz Chojnowski (Creator)
  • Kevin Douglas Cowtan (Creator)
  • Frank DiMaio (Creator)
  • Reza Esmaeeli (Creator)
  • Nabin Giri (Creator)
  • Helmut Grubmüller (Creator)
  • Soon Wen Hoh (Creator)
  • Jie Hou (Creator)
  • Corey F Hryc (Creator)
  • Carola Hunte (Creator)
  • Maxim Igaev (Creator)
  • Agnel P. Joseph (Creator)
  • Wei-Chun Kao (Creator)
  • Daisuke Kihara (Creator)
  • Dilip Kumar (Creator)
  • Lijun Lang (Creator)
  • Sean Lin (Creator)
  • Sai R. Maddhuri Venkata Subramaniya (Creator)
  • Sumit Mittal (Creator)
  • Arup Mondal (Creator)
  • Nigel W Moriarty (Creator)
  • Andrew Muenks (Creator)
  • Garib N. Murshudov (Creator)
  • Robert A Nicholls (Creator)
  • Mateusz Olek (Creator)
  • Colin M Palmer (Creator)
  • Alberto Pérez (Creator)
  • Emmi Pohjolainen (Creator)
  • Karunakar R. Pothula (Creator)
  • Christopher N. Rowley (Creator)
  • Daipayan Sarkar (Creator)
  • Luisa U. Schäfer (Creator)
  • Christopher J. Schlicksup (Creator)
  • Gunnar F. Schroeder (Creator)
  • Mrinal Shekhar (Creator)
  • Dong Si (Creator)
  • Abhishek Singharoy (Creator)
  • Oleg V. Sobolev (Creator)
  • Genki Terashi (Creator)
  • Andrea C. Vaiana (Creator)
  • Sundeep C. Vedithi (Creator)
  • Jacob Verburgt (Creator)
  • Xiao Wang (Creator)
  • Rangana Warshamanage (Creator)
  • Martyn D. Winn (Creator)
  • Simone Weyand (Creator)
  • Keitaro Yamashita (Creator)
  • MInglei Zhao (Creator)
  • Michael F Schmid (Creator)
  • Helen M. Berman (Creator)
  • Wah Chiu (Creator)

Dataset

Description

This is the full dataset of the 2021 Cryo-EM Map-based Model Ligand Challenge sponsored by EMDataResource (www.emdataresource.org, challenges.emdataresource.org, model-compare.emdataresource.org). The Ligand Model Challenge aimed to assess the reliability and reproducibility of modeling ligands bound to protein and protein/nucleic-acid complexes in cryogenic electron microscopy (cryo-EM) maps determined at near-atomic (1.9-2.5 Å) resolution. Three published maps were selected as targets: (1) E. coli beta-galactosidase with inhibitor, (2) SARS-CoV-2 RNA-dependent RNA polymerase with covalently bound nucleotide analog, and (3) SARS-CoV-2 ion channel ORF3a with bound lipid. Sixty-one models were submitted from 17 independent research groups, each with supporting workflow details.

External deposit with Zenodo.
Date made available1 Feb 2024
PublisherZenodo

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