This dataset comprises bound TCR-pMHC models for 44 TCR docking benchmark cases. These models were produced using four docking platforms - ClusPro, HADDOCK, LightDock and ZDOCK - as a comparative study of docking software performance in the context of TCR-pMHC modelling. Each docking case was provided to the software platforms along with varying levels of detail about the binding interface in the form of four docking scenarios, to assess how effectively each platform made use of this additional information to improve modeling accuracy. A manuscript reporting these results has been submitted for publication.
Data DOI: 10.15785/SBGRID/825 | Published: May 21, 2021
Chain Laboratory, University College London
native data set
Data DOI: 10.15785/SBGRID/824 | PDB ID 3M9Z: RCSB PDBe | Publication DOI: 10.1016/j.jsb.2011.05.001 | Published: March 26, 2021
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
E. coli DHFR by Native Mn,P,S-SAD at Room Temperature
Data DOI: 10.15785/SBGRID/821 | PDB ID 7LVC: RCSB PDBe | Published: March 16, 2021
Hekstra Laboratory, Harvard University
MicroED structure of a natural product VFAThiaGlu
Data DOI: 10.15785/SBGRID/820 | PDB ID 6PO6: RCSB PDBe | Publication DOI: 10.1126/science.aau6232 | Published: Jan. 29, 2021
Gonen Laboratory, University of California, Los Angeles
1.01 Å MicroED structure of GSNQNNF at 0.27 e- / A^2
Data DOI: 10.15785/SBGRID/819 | PDB ID 6CLC: RCSB PDBe | Publication DOI: 10.1016/j.str.2018.03.021 | Published: Jan. 29, 2021
Gonen Laboratory, University of California, Los Angeles
Receiver domain of RssB bound to beryllofluoride
Data DOI: 10.15785/SBGRID/818 | PDB ID 7LCM: RCSB PDBe | Published: April 2, 2021
Deaconescu Laboratory, Brown University
Structural models of the E1 and E2 proteins of Pyruvate Dehydrogenase Complex (PDHc), 2-Oxoglutarate Dehydrogenase (OGDHc), and Branched-Chain alpha-Keto Acid Dehydrogenase Complex (BCKDHc), E3BP of PDHc and E3, shared among all three complexes. In addition, a cif-file of E1, E2, E3BP, and E3 of PDHc modeled from cryoEM data is provided. Models were generated by homology modeling using MODELLER and refined using HADDOCK webserver.
Data DOI: 10.15785/SBGRID/817 | PDB ID 7BGJ: RCSB PDBe | Published: Jan. 26, 2021
Kastritis Laboratory, Martin Luther University Halle-Wittenberg
Hen Egg White Lysozyme by Native S-SAD at Room Temperature
Data DOI: 10.15785/SBGRID/816 | PDB ID 7L84: RCSB PDBe | Published: Jan. 22, 2021
Hekstra Laboratory, Harvard University
Native dataset
Data DOI: 10.15785/SBGRID/815 | PDB ID 7L9C: RCSB PDBe | Published: April 2, 2021
Deaconescu Laboratory, Brown University
MicroED data of MyD88 TIR domain higher-order assembly microcrystals
Data DOI: 10.15785/SBGRID/814 | PDB ID 7BEQ: RCSB PDBe | Published: March 12, 2021
Zou Laboratory, Stockholm University
raw diffraction data
Data DOI: 10.15785/SBGRID/813 | PDB ID 7KMJ: RCSB PDBe | Published: Jan. 4, 2022
Iverson Laboratory, Vanderbilt University
raw x-ray diffraction data
Data DOI: 10.15785/SBGRID/812 | PDB ID 6EF7: RCSB PDBe | Published: Nov. 3, 2020
Iverson Laboratory, Vanderbilt University
native dataset
Data DOI: 10.15785/SBGRID/810 | PDB ID 7AA2: RCSB PDBe | Published: May 18, 2021
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
native dataset
Data DOI: 10.15785/SBGRID/809 | PDB ID 6ZE7: RCSB PDBe | Published: May 18, 2021
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
native dataset
Data DOI: 10.15785/SBGRID/808 | PDB ID 6ZE6: RCSB PDBe | Published: May 18, 2021
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
native dataset
Data DOI: 10.15785/SBGRID/807 | PDB ID 6ZE5: RCSB PDBe | Published: May 18, 2021
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
native dataset
Data DOI: 10.15785/SBGRID/806 | PDB ID 6ZE4: RCSB PDBe | Published: May 18, 2021
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
native dataset
Data DOI: 10.15785/SBGRID/805 | PDB ID 6ZE3: RCSB PDBe | Published: May 18, 2021
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
native dataset
Data DOI: 10.15785/SBGRID/804 | PDB ID 6ZE2: RCSB PDBe | Published: May 18, 2021
Dohnalek Laboratory, Institute of Biotechnology of the Czech Academy of Sciences
Engineered mouse Tubulin Tyrosine Ligase Like Enzyme 6 in complex with Initiation analog
Data DOI: 10.15785/SBGRID/803 | PDB ID 6VZR: RCSB PDBe | Publication DOI: 10.1038/s41594-020-0462-0 | Published: Aug. 14, 2020
Roll-Mecak Laboratory, National Institutes of Health