Lab/Institutional Collections
Datasets

ClustENM-HADDOCK pipeline models

PDBs, scores and RMSDs related with ClustENM-HADDOCK modelling pipeline for protein-protein and protein-DNA complexes

X-Ray Diffraction data from RNA, source of 6E84 structure

X-ray data diffraction

X-Ray Diffraction data from RNA, source of 6E82 structure

X ray data

X-Ray Diffraction data from RNA, source of 6E81 structure

X-ray diffraction data

X-Ray Diffraction data from RNA, source of 6E80 structure

X-ray diffraction data collected at ALS

X-Ray Diffraction data from p120RasGAP N-terminal SH2 domain with p190RhoGAP pTyr-1105 peptide, source of 6PXC structure

Native data. 3 passes.

X-Ray Diffraction data from p120RasGAP N-terminal SH2 domain, source of 6PXB structure

Native data. 2 passes.

X-Ray Diffraction data from Leptospira interrogans Flagellar-coiling protein B (FcpB), source of 6NQZ structure

iodide + magic triangle soaking, SAD data set (@1.5418 angstroms wavelength) These data were used to refine the structure (but not for structure solution, for which a separate data set was used, and deposited under #694)

X-Ray Diffraction data from Leptospira interrogans Flagellar-coiling protein B (FcpB), source of 6NQZ structure

iodide + magic triangle soaking, SAD data set (@1.5418 angstroms wavelength) These data were used to solve the structure by direct methods using the iodine atoms as anomalous scatterers (but not for final refinement, for which a separate data set has been used and deposited)

X-Ray Diffraction data from Leptospira biflexa Flagellar-coiling protein A (FcpA), source of 6NQW structure

native data set (hexagonal P622 form of FcpA from L. biflexa)

X-Ray Diffraction data from Leptospira biflexa Flagellar-coiling protein A (FcpA), source of 6NQY structure

Iodine quick-soak - SAD data set (monoclinic C2 form of FcpA from L. biflexa)

X-Ray Diffraction data from Leptospira biflexa Flagellar-coiling protein A (FcpA), source of 6NQX structure

Native data set (monoclinic form of FcpA from L. biflexa)

X-Ray Diffraction data from C. elegans ZIG-8 IG1-RIG-5 IG1 heterodimer, monoclinic form, source of 6ONB structure

Native dataset

X-Ray Diffraction data from C. elegans ZIG-8 IG1-RIG-5 IG1 heterodimer, tetragonal form, source of 6ON9 structure

Native dataset

X-Ray Diffraction data from C. elegans RIG-5 IG1 homodimer, source of 6ON6 structure

Native dataset

Docking models of antibody-antigen complexes

Antibody-antigen docking models gathered for the article: "Modelling of antibody-antigen complexes by information-driven docking." F. Ambrosetti, B. Jimenez-Garcia, J. Roel-Touris, A.M.J.J. Bonvin. Jun 2019. Structure.

Docking models for Docking Benchmark 4, 5 and CAPRI score_set

HADDOCK docking models for Protein-Protein Docking Benchmark 4; HADDOCK, pyDock, SwarmDock and ZDock docking models for new complexes of Docking Benchmark 5; Various docking models for CAPRI score_set. All of the non-HADDOCK models are refined with HADDOCK using energy minimisation.

X-Ray Diffraction data from Tn3 resolvase - DNA complex crystal form II, source of 5CY2 structure

native data set

X-Ray Diffraction data from Tn3 resolvase - DNA complex crystal form I, source of 5CY1 structure

native data set

X-Ray Diffraction data from Rhizobiales Pch2, source of 6PB3 structure

SAD dataset with selenomethionine-derivatized protein. One chain in AU; P6 symmetry reconstructs homo-hexamer