Lab/Institutional Collections
Datasets

HADDOCK refined models of ACE2 with the bound RBD of SARS-CoV-2 Spike glycoprotein

242 structural models of human ACE2 variants with the bound RBD of SARS-CoV-2 Spike glycoprotein refined with HADDOCK2.2 (initial PDB: 6M17, 6M0J). The structural models include in human population naturally occurring variants of ACE2 (140), models of the mutants with reported effects on the recognition of RBD (39), and computational alanine scanning mutagenesis of ACE2-RBD interface (63). Moreover, all aforementioned ACE2 variants can be found as a structural models of ACE2-B(0)AT1 complex with the bound RBD, including all ions and structurally-important glycan molecules (initial PDB: 6M17).

X-Ray Diffraction data from Hsa Siglec and Unique domains in complex with 6S-sialy-Lewisx, source of structure

Hsa Siglec and Unique domains in complex with 6S-sialy-Lewisx

X-Ray Diffraction data from SARS-CoV-2 Nucleocapsid N2b domain, source of 6WZQ structure

Native dataset for SARS-CoV-2 Nucleocapsid (N) dimerization domain, P21 form

X-Ray Diffraction data from SARS-CoV-2 Nucleocapsid N2b domain, source of 6WZO structure

Native dataset for SARS-CoV-2 Nucleocapsid (N) dimerization domain, P1 form

X-Ray Diffraction data from PAK4 kinase domain in complex with LIMK1 Thr508 substrate peptide, source of 6WLY structure

Native dataset

X-Ray Diffraction data from PAK4 kinase domain in complex with beta-catenin Ser675 substrate peptide, source of 6WLX structure

Native data

X-Ray Diffraction data from Complex of human NKR-P1 and LLT1 in deglycosylated forms, source of 5MGT structure

native data set

X-Ray Diffraction data from Human receptor NKR-P1 in deglycosylated form, extracellular domain, source of 5MGS structure

native data set

X-Ray Diffraction data from Human receptor NKR-P1 in glycosylated form, extracellular domain, source of 5MGR structure

native data set

X-Ray Diffraction data from Globin sensor domain of AfGcHK in complex with cyanide, partially reduced, source of 5OHF structure

native data set

X-Ray Diffraction data from Globin sensor domain of AfGcHK in complex with cyanide, source of 5OHE structure

native data set

X-Ray Diffraction data from p120RasGAP C-terminal SH2 domain with p190RhoGAP pTyr-1087 peptide, source of 6WAY structure

X-Ray Diffraction data from p120RasGAP C-terminal SH2 domain with p190RhoGAP pTyr-1087 peptide

X-Ray Diffraction data from p120RasGAP C-terminal SH2 domain, source of 6WAX structure

X-Ray Diffraction data from p120RasGAP C-terminal SH2 domain

X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (Y59A/H79A mutant) with bound lipid, source of 6W1B structure

Native dataset, 0.979 angstroms

X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (K46E/R51E mutant) with bound lipid, source of 6VZD structure

Native dataset #4 of 4 that were merged for structure solution

X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (K46E/R51E mutant) with bound lipid, source of 6VZD structure

Native dataset #3 of 4 that were merged for structure solution

X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (K46E/R51E mutant) with bound lipid, source of 6VZD structure

Native dataset #2 of 4 that were merged for structure solution

X-Ray Diffraction data from Mouse surfactant protein B, N-terminal domain (K46E/R51E mutant) with bound lipid, source of 6VZD structure

Native dataset #1 of 4 that were merged for structure solution

X-Ray Diffraction data from Mouse surfactant protein B, C-terminal domain, crystallized at low pH, source of 6VZE structure

Native dataset, collected at 0.979 angstroms

X-Ray Diffraction data from Mouse surfactant protein B, C-terminal domain, crystallized at high pH, source of 6VZ0 structure

Native dataset collected at 0.979 angstroms