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SASDVU5 – Marchantia polymorpha Auxin Response Factor 3 in complex with high affinity DNA

Auxin response factorHigh Affinity ARF binding sequence inverted repeat with 6 nucleotide spacing experimental SAS data
SWISSMODEL model
Sample: Auxin response factor monomer, 46 kDa Marchantia polymorpha protein
High Affinity ARF binding sequence inverted repeat with 6 nucleotide spacing dimer, 12 kDa DNA
Buffer: 20 mM Tris-HCl, 150 mM NaCl, 1 mM DTT, pH: 8
Experiment: SAXS data collected at BL11 - NCD, ALBA on 2019 Dec 3
The structure and function of the DNA binding domain of class B MpARF2 share more traits with class A AtARF5 than to that of class B AtARF1. Structure (2025)
Crespo I, Malfois M, Rienstra J, Tarrés-Solé A, van den Berg W, Weijers D, Boer DR
RgGuinier 3.1 nm
Dmax 8.4 nm
VolumePorod 67 nm3

SASDVC8 – Hendra virus protein P/V/W PNT3 domain

Protein W experimental SAS data
Hendra virus protein P/V/W PNT3 domain Rg histogram
Sample: Protein W monomer, 15 kDa Hendra virus (isolate … protein
Buffer: 20 mM HEPES, 150 mM NaCl, pH: 7.2
Experiment: SAXS data collected at BM29, ESRF on 2023 Jun 13
Unraveling the molecular grammar and the structural transitions underlying the fibrillation of a viral fibrillogenic domain. Protein Sci 34(3):e70068 (2025)
Gondelaud F, Leval J, Arora L, Walimbe A, Bignon C, Ptchelkine D, Brocca S, Mukhopadyay S, Longhi S
RgGuinier 3.4 nm
Dmax 13.5 nm
VolumePorod 42 nm3

SASDVD8 – Hendra virus protein P/V/W PNT3 low-K domain

Protein W (artificial PNT3 variant - low-kappa) experimental SAS data
Hendra virus protein P/V/W PNT3 low-K domain Rg histogram
Sample: Protein W (artificial PNT3 variant - low-kappa) monomer, 15 kDa Hendra virus (isolate … protein
Buffer: 20 mM HEPES, 150 mM NaCl, pH: 7.2
Experiment: SAXS data collected at BM29, ESRF on 2023 Jun 13
Unraveling the molecular grammar and the structural transitions underlying the fibrillation of a viral fibrillogenic domain. Protein Sci 34(3):e70068 (2025)
Gondelaud F, Leval J, Arora L, Walimbe A, Bignon C, Ptchelkine D, Brocca S, Mukhopadyay S, Longhi S
RgGuinier 3.8 nm
Dmax 18.0 nm
VolumePorod 48 nm3

SASDVE8 – Hendra virus protein P/V/W PNT3 high-K domain

Protein W (artificial PNT3 variant - high-kappa) experimental SAS data
Hendra virus protein P/V/W PNT3 high-K domain Rg histogram
Sample: Protein W (artificial PNT3 variant - high-kappa) monomer, 15 kDa Hendra virus (isolate … protein
Buffer: 20 mM HEPES, 150 mM NaCl, pH: 7.2
Experiment: SAXS data collected at SWING, SOLEIL on 2024 Apr 5
Unraveling the molecular grammar and the structural transitions underlying the fibrillation of a viral fibrillogenic domain. Protein Sci 34(3):e70068 (2025)
Gondelaud F, Leval J, Arora L, Walimbe A, Bignon C, Ptchelkine D, Brocca S, Mukhopadyay S, Longhi S
RgGuinier 3.1 nm
Dmax 14.7 nm
VolumePorod 54 nm3

SASDVX3 – Desulfofustis sp. PB-SRB1 ligand-gated ion channel DeCLIC with calcium at pH 5 by paused SEC-SANS

Neurotransmitter-gated ion-channel ligand-binding domain-containing protein experimental SAS data
Desulfofustis sp. PB-SRB1 ligand-gated ion channel DeCLIC with calcium at pH 5 by paused SEC-SANS Rg histogram
Sample: Neurotransmitter-gated ion-channel ligand-binding domain-containing protein pentamer, 342 kDa Desulfofustis sp. PB-SRB1 protein
Buffer: 20 mM citrate, 150 mM NaCl, 10 mM CaCl2, 0.5 mM deuterated n-Dodecyl-B-D-Maltoside, in D2O, pH: 5
Experiment: SANS data collected at D22, Institut Laue-Langevin (ILL) on 2021 Jun 17
Structural characterization of pH-modulated closed and open states in a pentameric ligand-gated ion channel
Marie Lycksell
RgGuinier 5.1 nm
Dmax 17.1 nm
VolumePorod 581 nm3

SASDVY3 – Desulfofustis sp. PB-SRB1 ligand-gated ion channel DeCLIC without calcium at pH 5 by paused SEC-SANS

Neurotransmitter-gated ion-channel ligand-binding domain-containing protein experimental SAS data
Desulfofustis sp. PB-SRB1 ligand-gated ion channel DeCLIC without calcium at pH 5 by paused SEC-SANS Rg histogram
Sample: Neurotransmitter-gated ion-channel ligand-binding domain-containing protein pentamer, 342 kDa Desulfofustis sp. PB-SRB1 protein
Buffer: 20 mM citrate, 150 mM NaCl, 10 mM EDTA, 0.5 mM deuterated n-Dodecyl-β-D-Maltoside, in D2O, pH: 5
Experiment: SANS data collected at D22, Institut Laue-Langevin (ILL) on 2021 Jun 17
Structural characterization of pH-modulated closed and open states in a pentameric ligand-gated ion channel
Marie Lycksell
RgGuinier 5.2 nm
Dmax 18.4 nm
VolumePorod 558 nm3

SASDWF4 – Outer membrane protein MIP from Legionella pneumophila (LpMIP) in complex with inhibitor NJS224

Outer membrane protein MIP(2S)‐2‐{[(2S)‐1‐[(4‐ fluorophenyl)methanesulfonyl]piperidin‐2‐ yl]formamido}‐4‐methyl‐N‐[(pyridin‐3‐ yl)methyl]pentanamide experimental SAS data
SREFLEX model
Sample: Outer membrane protein MIP dimer, 46 kDa Legionella pneumophila subsp. … protein
(2S)‐2‐{[(2S)‐1‐[(4‐ fluorophenyl)methanesulfonyl]piperidin‐2‐ yl]formamido}‐4‐methyl‐N‐[(pyridin‐3‐ yl)methyl]pentanamide monomer, 1 kDa
Buffer: 20 mM Tris, 150 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2021 Nov 22
Structure and Dynamics of Macrophage Infectivity Potentiator Proteins from Pathogenic Bacteria and Protozoans Bound to Fluorinated Pipecolic Acid Inhibitors. J Med Chem (2025)
Pérez Carrillo VH, Whittaker JJ, Wiedemann C, Harder JM, Lohr T, Jamithireddy AK, Dajka M, Goretzki B, Joseph B, Guskov A, Harmer NJ, Holzgrabe U, Hellmich UA
RgGuinier 2.9 nm
Dmax 9.7 nm
VolumePorod 61 nm3

SASDWG4 – Outer membrane protein MIP from Legionella pneumophila (LpMIP) in complex with inhibitor NJS227

Outer membrane protein MIP(2S)‐3‐(4‐fluorophenyl)‐2‐{[(2S)‐1‐[(4‐ fluorophenyl)methanesulfonyl]piperidin‐2‐ yl]formamido}‐N‐[(pyridin‐3‐yl)methyl]propanamide experimental SAS data
SREFLEX model
Sample: Outer membrane protein MIP dimer, 46 kDa Legionella pneumophila subsp. … protein
(2S)‐3‐(4‐fluorophenyl)‐2‐{[(2S)‐1‐[(4‐ fluorophenyl)methanesulfonyl]piperidin‐2‐ yl]formamido}‐N‐[(pyridin‐3‐yl)methyl]propanamide monomer, 1 kDa
Buffer: 20 mM Tris, 150 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2021 Nov 22
Structure and Dynamics of Macrophage Infectivity Potentiator Proteins from Pathogenic Bacteria and Protozoans Bound to Fluorinated Pipecolic Acid Inhibitors. J Med Chem (2025)
Pérez Carrillo VH, Whittaker JJ, Wiedemann C, Harder JM, Lohr T, Jamithireddy AK, Dajka M, Goretzki B, Joseph B, Guskov A, Harmer NJ, Holzgrabe U, Hellmich UA
RgGuinier 3.0 nm
Dmax 10.0 nm
VolumePorod 65 nm3

SASDWA3 – Ovalbumin, Monomer from SEC-SANS

Ovalbumin experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Ovalbumin monomer, 43 kDa Gallus gallus protein
Buffer: 100 mM Tris-HCl, 100 mM NaCl in 100% v/v D₂O, pH: 7.5
Experiment: SANS data collected at SANS-U, JRR-3 (Japan Atomic Energy Agency) on 2024 Apr 22
Size-exclusion chromatography–small-angle neutron scattering system optimized for an instrument with medium neutron flux Journal of Applied Crystallography 58(2) (2025)
Morishima K, Inoue R, Nakagawa T, Shimizu M, Sakamoto R, Oda T, Mayumi K, Sugiyama M
RgGuinier 2.0 nm
Dmax 6.5 nm

SASDWC3 – Apoferritin, from SEC-SANS

Ferritin light chain experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Ferritin light chain 24-mer, 476 kDa Equus caballus protein
Buffer: 100 mM Tris-HCl, 100 mM NaCl in 100% v/v D₂O, pH: 7.5
Experiment: SANS data collected at SANS-U, JRR-3 (Japan Atomic Energy Agency) on 2024 Apr 22
Size-exclusion chromatography–small-angle neutron scattering system optimized for an instrument with medium neutron flux Journal of Applied Crystallography 58(2) (2025)
Morishima K, Inoue R, Nakagawa T, Shimizu M, Sakamoto R, Oda T, Mayumi K, Sugiyama M
RgGuinier 5.4 nm
Dmax 23.1 nm