Browse by MODEL: Hybrid

SASDNR5 – Meiosis protein TEX12 (Testis-expressed protein 12) – F102A, F109E, V116A mutant

Testis-expressed protein 12 (F102A, F109E, V116A) experimental SAS data
DAMMIF model
Sample: Testis-expressed protein 12 (F102A, F109E, V116A) tetramer, 36 kDa Homo sapiens protein
Buffer: 20 mM Tris, 150 mM KCl, pH: 8
Experiment: SAXS data collected at B21, Diamond Light Source on 2017 Nov 27
Coiled-coil structure of meiosis protein TEX12 and conformational regulation by its C-terminal tip Communications Biology 5(1) (2022)
Dunce J, Salmon L, Davies O
RgGuinier 3.2 nm
Dmax 12.0 nm
VolumePorod 48 nm3

SASDNS5 – Meiosis protein TEX12 (Testis-expressed protein 12) – F109E mutant

Testis-expressed protein 12 (F109E) experimental SAS data
DAMMIF model
Sample: Testis-expressed protein 12 (F109E) dimer, 18 kDa Homo sapiens protein
Buffer: 20 mM Tris, 150 mM KCl, pH: 8
Experiment: SAXS data collected at B21, Diamond Light Source on 2017 Sep 13
Coiled-coil structure of meiosis protein TEX12 and conformational regulation by its C-terminal tip Communications Biology 5(1) (2022)
Dunce J, Salmon L, Davies O
RgGuinier 2.3 nm
Dmax 7.5 nm
VolumePorod 30 nm3

SASDNU4 – Di[3-deoxy-D-manno-octulosonyl]-lipid A ammonium salt deposited onto silicon wafer (oriented sample anisotropic scattering, KDO2 control)

Di[3-deoxy-D-manno-octulosonyl]-lipid A (ammonium salt) experimental SAS data
OTHER [STATIC IMAGE] model
Sample: Di[3-deoxy-D-manno-octulosonyl]-lipid A (ammonium salt), unidentified lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Apr 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDNV4 – Di[3-deoxy-D-manno-octulosonyl]-lipid A ammonium salt deposited onto silicon wafer in the presence of antimicrobial peptide WLBU2 (oriented sample anisotropic scattering, KDO2-WLBU2)

Di[3-deoxy-D-manno-octulosonyl]-lipid A (ammonium salt) plus WLBU2 experimental SAS data
OTHER [STATIC IMAGE] model
Sample: Di[3-deoxy-D-manno-octulosonyl]-lipid A (ammonium salt) plus WLBU2, unidentified lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Apr 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDNW4 – Gram-negative bacteria lipid membrane mimic deposited onto silicon wafer (oriented sample anisotropic scattering)

1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol) sodium salt, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phospho]-sn-glycerol (7:2:1) experimental SAS data
OTHER [STATIC IMAGE] model
Sample: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol) sodium salt, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phospho]-sn-glycerol (7:2:1), lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at ID7A1 BioSAXS / HP-Bio Beamline, Cornell High Energy Synchrotron Source (CHESS) on 2021 Jun 23
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDNX4 – Gram-negative bacteria lipid membrane mimic deposited onto silicon wafer in the presence of antimicrobial peptide WLBU2 (oriented sample anisotropic scattering)

1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanol, 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol) sodium salt, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phospho]-sn-glycerol sodium salt, WLBU2 experimental SAS data
OTHER [STATIC IMAGE] model
Sample: 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanol, 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol) sodium salt, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phospho]-sn-glycerol sodium salt, WLBU2, synthetic construct lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Apr 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDNY4 – Gram-positive bacteria lipid membrane mimic deposited onto silicon wafer (oriented sample anisotropic scattering)

1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol), 1,2-dioleoyl-3-trimethylammonium-propane, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phos experimental SAS data
OTHER [STATIC IMAGE] model
Sample: 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol), 1,2-dioleoyl-3-trimethylammonium-propane, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phos, lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Apr 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDNZ4 – Gram-positive bacteria lipid membrane mimic deposited onto silicon wafer in the presence of antimicrobial peptide WLBU2 (oriented sample anisotropic scattering)

1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol), 1,2-dioleoyl-3-trimethylammonium-propane, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phos experimental SAS data
OTHER [STATIC IMAGE] model
Sample: 1-palmitoyl-2-oleoyl-sn-glycero-3-phospho-(10-rac-glycerol), 1,2-dioleoyl-3-trimethylammonium-propane, 1-palmitoyl-2-oleoyl-sn-glycero-3-phosphoethanolamine, 10,30-bis-[1,2-dioleoyl-sn-glycero-3-phos, synthetic construct lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Apr 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDN25 – Lipopolysaccharide outer membrane of the Gram-negative bacteria Pseudomonas aeruginosa deposited onto silicon wafer (oriented sample anisotropic scattering, LPS control)

Lipopolysaccharide experimental SAS data
OTHER [STATIC IMAGE] model
Sample: Lipopolysaccharide, Pseudomonas aeruginosa lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Jun 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S

SASDN35 – Lipopolysaccharide outer membrane of the Gram-negative bacteria Pseudomonas aeruginosa deposited onto silicon wafer in the presence of antimicrobial peptide WLBU2 (LPS-WLBU2, oriented sample anisotropic scattering)

Lipopolysaccharide plus WLBU2 experimental SAS data
OTHER [STATIC IMAGE] model
Sample: Lipopolysaccharide plus WLBU2 dimer, Pseudomonas aeruginosa lipid
Buffer: water, pH: 7
Experiment: SAXS data collected at G1, Cornell High Energy Synchrotron Source (CHESS) on 2018 Jun 1
Antimicrobial Peptide Mechanism Studied by Scattering-Guided Molecular Dynamics Simulation. J Phys Chem B (2022)
Allsopp R, Pavlova A, Cline T, Salyapongse AM, Gillilan RE, Di YP, Deslouches B, Klauda JB, Gumbart JC, Tristram-Nagle S