X-Ray Diffraction data from Bdf1 bromodomain BD1 from Candida albicans, source of 5N15 structure

Native dataset


HADDOCK membrane protein-protein complex models

Decoys of a membrane protein complex docking benchmark. The decoys were obtained after docking with the HADDOCK webserver (v2.2) and they belong in two sets which reflect two extreme docking scenarios. One where we would have no information about the nature of the interaction and we use random restraints to drive the docking, and one where we use restraints extracted from the interface of the native complex to drive the docking. We have generated 50800 structures for the first scenario, distributed in three stages: 50000, 400 and 400 for the rigid-body, simulated annealing and flexible refinement stages respectively. We have generated 10800 structures for the second scenario distributed in three stages: 10000, 400 and 400 for the rigid-body, simulated annealing and flexible refinement stages respectively.


X-Ray Diffraction data from C. glabrata Csm1:S. cerevisiae Dsn1(71-110) complex, source of 6MJE structure

Native dataset for C. glabrata Csm1:S. cerevisiae Dsn1(71-110) complex


X-Ray Diffraction data from Candida glabrata Csm1:Dsn(43-67DD) complex, source of 6MJC structure

Native dataset for Candida glabrata Csm1:Dsn(43-67DD) complex


X-Ray Diffraction data from Candida glabrata Csm1:Dsn1(14-72) complex, source of 6MJB structure

Native dataset for Candida glabrata Csm1:Dsn1(14-72) complex


X-Ray Diffraction data from Candida glabrata Csm1:Mam1 complex, source of 6MJ8 structure

Two native datasets from different crystals, which were indexed separately then scaled together to give the final dataset for refinement.


X-Ray Diffraction data from Eremothecium gossypii Shu1:Shu2 complex, source of 6DEX structure

Zinc-anomalous SAD dataset for Eremothecium gossypii Shu1:Shu2 complex


X-Ray Diffraction data from S. cerevisiae Csm1-Dse3 complex, source of 6DEI structure

Single-wavelength dataset for S. cerevisiae Csm1-Dse3 complex


X-Ray Diffraction data from complex of engineered human chemokine CX3CL1 with viral US28 and two nanobodies, source of 5WB2 structure

datasets merged from 2 crystals


X-Ray Diffraction data from single chain complex of viral US28 with stabilizing nanobody nb7, source of 5WB1 structure

merged data from 2 crystals


X-Ray Diffraction data from METTL16 MTase domain crystal form2, source of 6GT5 structure

METTL16 MTase domain crystal from 2


X-Ray Diffraction data from METTL16 MTase domain, source of 6GFN structure

METTL16 MTase domain crystal form 1


X-Ray Diffraction data from delN(40) METTL16, source of 6GFK structure

Diffraction data from crystal of del40 METTL16 MTase domain


X-Ray Diffraction data from p190RhoGAP-A N-GTPase domain, source of 6D4G structure

8 sweeps


X-Ray Diffraction data from human Dcytb in complex with Zn and ascorbate, source of 5ZLG structure

Small-wedge (5 degrees/crystal) data collected using 5x5 um beam


X-Ray Diffraction data from human Dcytb in substrate-free form, source of 5ZLE structure

Small-wedge (5 degrees/crystal) data collected using 5x5 um beam


X-Ray Diffraction data from Catalase HPII from E. coli, source of 6BY0 structure

Native dataset


X-Ray Diffraction data from Human beta-defensin 2, source of 6CS9 structure

Native dataset


HADDOCK-refined Biological/crystallographic protein-protein interfaces

HADDOCK refined models for the biological/crystallographic interfaces collected in the DC and MANY datasets


X-Ray Diffraction data from Npl4 zinc finger and MPN domains (Chaetomium thermophilum), source of 6CDD structure

Zn peak dataset