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31 hits found for Kikhney

SASDC56 – Blue light receptor YtvA, dark/inactive state

pfyP - Blue light photoreceptor experimental SAS data
GASBOR model
Sample: pfyP - Blue light photoreceptor dimer, Bacillus subtilis protein
Buffer: PBS + 5 mM DTT, pH: 7.4
Experiment: SAXS data collected at EMBL X33, DORIS III on 2009 Oct 24
The switch that does not flip: the blue-light receptor YtvA from Bacillus subtilis adopts an elongated dimer conformation independent of the activation state as revealed by a combined AUC and SAXS stu... J Mol Biol 403(1):78-87 (2010)
...Kikhney A, Svergun D, Gärtner W, Schmieder P
RgGuinier 3.2 nm
Dmax 10.1 nm
VolumePorod 75 nm3

SASDC66 – Blue light receptor YtvA, lit/active state

pfyP - Blue light photoreceptor experimental SAS data
GASBOR model
Sample: pfyP - Blue light photoreceptor dimer, Bacillus subtilis protein
Buffer: PBS + 5 mM DTT, pH: 7.4
Experiment: SAXS data collected at EMBL X33, DORIS III on 2009 Oct 24
The switch that does not flip: the blue-light receptor YtvA from Bacillus subtilis adopts an elongated dimer conformation independent of the activation state as revealed by a combined AUC and SAXS stu... J Mol Biol 403(1):78-87 (2010)
...Kikhney A, Svergun D, Gärtner W, Schmieder P
RgGuinier 3.2 nm
Dmax 10.1 nm
VolumePorod 74 nm3

SASDB86 – apo-BRD4

Bromodomain-containing protein 4 experimental SAS data
DAMMIF model
Sample: Bromodomain-containing protein 4 monomer, Homo sapiens protein
Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2014 Sep 12
Potent and selective bivalent inhibitors of BET bromodomains. Nat Chem Biol 12(12):1097-1104 (2016)
...Kikhney A, McAlister M, Méndez J, Ogg D, Patel J, Petteruti P, Robb GR, Robers MB, Saif S, Stratton N, Svergun DI, Wang W, Whittaker D, Wilson DM, Yao Y
RgGuinier 7.0 nm
Dmax 27.0 nm

SASDB96 – Compound 1:BRD4 (1:1)

Bromodomain-containing protein 4 experimental SAS data
DAMMIF model
Sample: Bromodomain-containing protein 4 monomer, Homo sapiens protein
Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2014 Sep 12
Potent and selective bivalent inhibitors of BET bromodomains. Nat Chem Biol 12(12):1097-1104 (2016)
...Kikhney A, McAlister M, Méndez J, Ogg D, Patel J, Petteruti P, Robb GR, Robers MB, Saif S, Stratton N, Svergun DI, Wang W, Whittaker D, Wilson DM, Yao Y
RgGuinier 6.2 nm
Dmax 27.5 nm

SASDBA6 – Compound 1:BRD4 (2:1)

Bromodomain-containing protein 4 experimental SAS data
DAMMIF model
Sample: Bromodomain-containing protein 4 monomer, Homo sapiens protein
Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2014 Sep 12
Potent and selective bivalent inhibitors of BET bromodomains. Nat Chem Biol 12(12):1097-1104 (2016)
...Kikhney A, McAlister M, Méndez J, Ogg D, Patel J, Petteruti P, Robb GR, Robers MB, Saif S, Stratton N, Svergun DI, Wang W, Whittaker D, Wilson DM, Yao Y
RgGuinier 6.3 nm
Dmax 24.5 nm

SASDBB6 – Compound 6:BRD4 (1:1)

Bromodomain-containing protein 4 experimental SAS data
DAMMIF model
Sample: Bromodomain-containing protein 4 monomer, Homo sapiens protein
Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2015 Feb 8
Potent and selective bivalent inhibitors of BET bromodomains. Nat Chem Biol 12(12):1097-1104 (2016)
...Kikhney A, McAlister M, Méndez J, Ogg D, Patel J, Petteruti P, Robb GR, Robers MB, Saif S, Stratton N, Svergun DI, Wang W, Whittaker D, Wilson DM, Yao Y
RgGuinier 5.1 nm
Dmax 24.3 nm

SASDBC6 – Compound 6:BRD4 (2:1)

Bromodomain-containing protein 4 experimental SAS data
DAMMIF model
Sample: Bromodomain-containing protein 4 monomer, Homo sapiens protein
Buffer: 20mM Hepes, 100mM NaCl, 1mM Tris(2-carboxyethyl)phosphine hydrochloride, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2015 Feb 8
Potent and selective bivalent inhibitors of BET bromodomains. Nat Chem Biol 12(12):1097-1104 (2016)
...Kikhney A, McAlister M, Méndez J, Ogg D, Patel J, Petteruti P, Robb GR, Robers MB, Saif S, Stratton N, Svergun DI, Wang W, Whittaker D, Wilson DM, Yao Y
RgGuinier 4.4 nm
Dmax 17.3 nm

SASDAE6 – PsrP functional binding region

Functional binding region (120-395) of the pneumococcal serine-rich repeat protein experimental SAS data
PsrP functional binding region Rg histogram
Sample: Functional binding region (120-395) of the pneumococcal serine-rich repeat protein monomer, Streptococcus pneumoniae protein
Buffer: PBS 5 % Glycerol, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2013 Feb 27
The BR domain of PsrP interacts with extracellular DNA to promote bacterial aggregation; structural insights into pneumococcal biofilm formation. Sci Rep 6:32371 (2016)
...Kikhney A, Deshmukh M, Wolniak S, Pathak A, Ebel C, Löfling J, Fogolari F, Henriques-Normark B, Dufrêne YF, Svergun D, Nygren PÅ, Achour A
RgGuinier 2.9 nm
Dmax 12.5 nm
VolumePorod 41 nm3

SASDAF7 – Metal-bound hETHE1

Persulfide dioxygenase ETHE1, mitochondrial experimental SAS data
DAMMIN model
Sample: Persulfide dioxygenase ETHE1, mitochondrial dimer, Homo sapiens protein
Buffer: 50 mM Tris 150 mM NaCl 2 mM TCEP, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III on 2007 Oct 21
Distinctive features and structural significance of the Homo sapiens ethylmalonic encephalopathy protein iron binding site
Al Kikhney, Marco Salomone-Stagni
RgGuinier 2.5 nm
Dmax 7.5 nm
VolumePorod 70 nm3

SASDAH7 – Metal-free hETHE1, 0.5 mg/ml

Persulfide dioxygenase ETHE1, mitochondrial experimental SAS data
DAMMIN model
Sample: Persulfide dioxygenase ETHE1, mitochondrial dimer, Homo sapiens protein
Buffer: 50 mM Tris 150 mM NaCl 2 mM TCEP, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III on 2009 Nov 23
Distinctive features and structural significance of the Homo sapiens ethylmalonic encephalopathy protein iron binding site
Al Kikhney, Marco Salomone-Stagni
RgGuinier 9.0 nm
Dmax 32.3 nm
VolumePorod 400 nm3

SASDAJ7 – Metal-free hETHE1, 1 mg/ml

Persulfide dioxygenase ETHE1, mitochondrial experimental SAS data
DAMMIN model
Sample: Persulfide dioxygenase ETHE1, mitochondrial dimer, Homo sapiens protein
Buffer: 50 mM Tris 150 mM NaCl 2 mM TCEP, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III on 2009 Nov 23
Distinctive features and structural significance of the Homo sapiens ethylmalonic encephalopathy protein iron binding site
Al Kikhney, Marco Salomone-Stagni
RgGuinier 8.3 nm
Dmax 38.0 nm
VolumePorod 602 nm3

SASDAK7 – Metal-free hETHE1, 2 mg/ml

Persulfide dioxygenase ETHE1, mitochondrial experimental SAS data
DAMMIN model
Sample: Persulfide dioxygenase ETHE1, mitochondrial dimer, Homo sapiens protein
Buffer: 50 mM Tris 150 mM NaCl 2 mM TCEP, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III on 2009 Nov 23
Distinctive features and structural significance of the Homo sapiens ethylmalonic encephalopathy protein iron binding site
Al Kikhney, Marco Salomone-Stagni
RgGuinier 8.8 nm
Dmax 42.5 nm
VolumePorod 647 nm3

SASDAL7 – Metal-free hETHE1, 3 mg/ml

Persulfide dioxygenase ETHE1, mitochondrial experimental SAS data
DAMMIN model
Sample: Persulfide dioxygenase ETHE1, mitochondrial dimer, Homo sapiens protein
Buffer: 50 mM Tris 150 mM NaCl 2 mM TCEP, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III on 2009 Nov 23
Distinctive features and structural significance of the Homo sapiens ethylmalonic encephalopathy protein iron binding site
Al Kikhney, Marco Salomone-Stagni
RgGuinier 11.2 nm
Dmax 56.0 nm
VolumePorod 1445 nm3

SASDAM7 – Metal-free hETHE1, 5 mg/ml

Persulfide dioxygenase ETHE1, mitochondrial experimental SAS data
DAMMIN model
Sample: Persulfide dioxygenase ETHE1, mitochondrial dimer, Homo sapiens protein
Buffer: 50 mM Tris 150 mM NaCl 2 mM TCEP, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III on 2009 Nov 23
Distinctive features and structural significance of the Homo sapiens ethylmalonic encephalopathy protein iron binding site
Al Kikhney, Marco Salomone-Stagni
RgGuinier 12.4 nm
Dmax 59.0 nm
VolumePorod 1820 nm3

SASDAN7 – Metal-free hETHE1, 10 mg/ml

Persulfide dioxygenase ETHE1, mitochondrial experimental SAS data
DAMMIN model
Sample: Persulfide dioxygenase ETHE1, mitochondrial dimer, Homo sapiens protein
Buffer: 50 mM Tris 150 mM NaCl 2 mM TCEP, pH: 8
Experiment: SAXS data collected at EMBL X33, DORIS III on 2009 Nov 23
Distinctive features and structural significance of the Homo sapiens ethylmalonic encephalopathy protein iron binding site
Al Kikhney, Marco Salomone-Stagni
RgGuinier 14.2 nm
Dmax 63.5 nm
VolumePorod 2317 nm3

SASDAR3 – PsrP functional binding region

Functional binding region (187-385) of the pneumococcal serine-rich repeat protein experimental SAS data
PsrP functional binding region Rg histogram
Sample: Functional binding region (187-385) of the pneumococcal serine-rich repeat protein monomer, Streptococcus pneumoniae protein
Buffer: 20 mM sodium citrate 250 mM NaCl 2.5 % Glycerol, pH: 5.5
Experiment: SAXS data collected at EMBL X33, DORIS III on 2011 Jul 2
The basic keratin 10-binding domain of the virulence-associated pneumococcal serine-rich protein PsrP adopts a novel MSCRAMM fold. Open Biol 4:130090 (2014)
...Kikhney A, Hentrich K, Diamante A, Ebel C, Normark S, Svergun D, Henriques-Normark B, Achour A
RgGuinier 2.3 nm
Dmax 7.7 nm
VolumePorod 37 nm3

SASDAC6 – PsrP functional binding region

Functional binding region (187-385) of the pneumococcal serine-rich repeat protein experimental SAS data
PsrP functional binding region Rg histogram
Sample: Functional binding region (187-385) of the pneumococcal serine-rich repeat protein monomer, Streptococcus pneumoniae protein
Buffer: PBS 5 % Glycerol, pH: 7.4
Experiment: SAXS data collected at BM29, ESRF on 2013 Feb 27
The BR domain of PsrP interacts with extracellular DNA to promote bacterial aggregation; structural insights into pneumococcal biofilm formation. Sci Rep 6:32371 (2016)
...Kikhney A, Deshmukh M, Wolniak S, Pathak A, Ebel C, Löfling J, Fogolari F, Henriques-Normark B, Dufrêne YF, Svergun D, Nygren PÅ, Achour A
RgGuinier 2.0 nm
Dmax 7.8 nm
VolumePorod 38 nm3

SASDB35 – Staphylococcus aureus thiaminase II

Thiaminase type II enzyme experimental SAS data
PDB model
Sample: Thiaminase type II enzyme tetramer, Staphylococcus aureus protein
Buffer: 100 mM Tris-HCl, pH: 7.5
Experiment: SAXS data collected at EMBL X33, DORIS III on 2011 May 11
Staphylococcus aureus thiaminase II: oligomerization warrants proteolytic protection against serine proteases. Acta Crystallogr D Biol Crystallogr 69(Pt 12):2320-9 (2013)
...Kikhney A, Müller IB, Perbandt M, Svergun D, Wrenger C, Betzel C
RgGuinier 3.4 nm
Dmax 11.0 nm
VolumePorod 168 nm3

SASDBF4 – Wild-type LytA (N-His6) with choline

Lytic Amidase with choline experimental SAS data
SASREF model
Sample: Lytic Amidase with choline dimer, Streptococcus pneumoniae protein
Buffer: 20 mM Tris 150 mM NaCl 5 mM choline chloride 1 µM ZnCl2, pH: 7.5
Experiment: SAXS data collected at EMBL X33, DORIS III on 2011 Jul 2
Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae. MBio 5(1):e01120-13 (2014)
...Kikhney A, Vilaplana F, Hesek D, Lee M, Mobashery S, Normark S, Svergun D, Henriques-Normark B, Achour A
RgGuinier 4.9 nm
Dmax 15.0 nm
VolumePorod 115 nm3

SASDBG4 – Prophage LytA with choline

Prophage Lytic Amidase with choline experimental SAS data
SASREF model
Sample: Prophage Lytic Amidase with choline dimer, Streptococcus pneumoniae protein
Buffer: 20 mM Tris 150 mM NaCl 5 mM choline chloride 1 µM ZnCl2, pH: 7.5
Experiment: SAXS data collected at EMBL X33, DORIS III on 2011 Jul 2
Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae. MBio 5(1):e01120-13 (2014)
...Kikhney A, Vilaplana F, Hesek D, Lee M, Mobashery S, Normark S, Svergun D, Henriques-Normark B, Achour A
RgGuinier 5.9 nm
Dmax 17.0 nm
VolumePorod 130 nm3

SASDBH4 – Wild-type LytA (N-His6) without choline

Lytic Amidase without choline experimental SAS data
SASREF model
Sample: Lytic Amidase without choline monomer, Streptococcus pneumoniae protein
Buffer: 20 mM Tris 150 mM NaCl 1 µM ZnCl2, pH: 7.5
Experiment: SAXS data collected at EMBL X33, DORIS III on 2011 Jul 3
Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae. MBio 5(1):e01120-13 (2014)
...Kikhney A, Vilaplana F, Hesek D, Lee M, Mobashery S, Normark S, Svergun D, Henriques-Normark B, Achour A
RgGuinier 3.4 nm
Dmax 12.5 nm
VolumePorod 56 nm3

SASDBJ4 – Wild-type LytA choline-binding domain

Lytic Amidase choline-binding domain experimental SAS data
SASREF model
Sample: Lytic Amidase choline-binding domain dimer, Streptococcus pneumoniae protein
Buffer: 20 mM Tris 150 mM NaCl 5 mM choline chloride 1 µM ZnCl2, pH: 7.5
Experiment: SAXS data collected at EMBL X33, DORIS III on 2011 Dec 11
Structural and functional insights into peptidoglycan access for the lytic amidase LytA of Streptococcus pneumoniae. MBio 5(1):e01120-13 (2014)
...Kikhney A, Vilaplana F, Hesek D, Lee M, Mobashery S, Normark S, Svergun D, Henriques-Normark B, Achour A
RgGuinier 3.3 nm
Dmax 10.0 nm
VolumePorod 49 nm3

SASDAU8 – Immunosuppressive virulence protein YopM

Yersinia outer protein M (34-481) experimental SAS data
SASREF model
Sample: Yersinia outer protein M (34-481) dimer, Yersinia enterocolitica protein
Buffer: 50 mM HEPES 150 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2013 Nov 13
Immunosuppressive Yersinia Effector YopM Binds DEAD Box Helicase DDX3 to Control Ribosomal S6 Kinase in the Nucleus of Host Cells. PLoS Pathog 12(6):e1005660 (2016)
...Kikhney AG, Koch-Nolte F, Buck F, Perbandt M, Betzel C, Svergun DI, Hentschke M, Aepfelbacher M
RgGuinier 3.9 nm
Dmax 11.5 nm
VolumePorod 154 nm3

SASDAV8 – DEAD box helicase DDX3

DEAD box RNA helicase DDX3 (51-418) experimental SAS data
SASREF model
Sample: DEAD box RNA helicase DDX3 (51-418) monomer, Yersinia enterocolitica protein
Buffer: 50 mM HEPES 150 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2013 Nov 13
Immunosuppressive Yersinia Effector YopM Binds DEAD Box Helicase DDX3 to Control Ribosomal S6 Kinase in the Nucleus of Host Cells. PLoS Pathog 12(6):e1005660 (2016)
...Kikhney AG, Koch-Nolte F, Buck F, Perbandt M, Betzel C, Svergun DI, Hentschke M, Aepfelbacher M
RgGuinier 2.8 nm
Dmax 12.0 nm
VolumePorod 80 nm3

SASDAW8 – 2:1 YopM:DDX3 complex

Yersinia outer protein M (34-481)DEAD box RNA helicase DDX3 (51-418) experimental SAS data
SASREF model
Sample: Yersinia outer protein M (34-481) dimer, Yersinia enterocolitica protein
DEAD box RNA helicase DDX3 (51-418) monomer, Yersinia enterocolitica protein
Buffer: 50 mM HEPES 150 mM NaCl, pH: 7.5
Experiment: SAXS data collected at EMBL P12, PETRA III on 2013 Jun 14
Immunosuppressive Yersinia Effector YopM Binds DEAD Box Helicase DDX3 to Control Ribosomal S6 Kinase in the Nucleus of Host Cells. PLoS Pathog 12(6):e1005660 (2016)
...Kikhney AG, Koch-Nolte F, Buck F, Perbandt M, Betzel C, Svergun DI, Hentschke M, Aepfelbacher M
RgGuinier 4.0 nm
Dmax 15.0 nm
VolumePorod 190 nm3

SASDAX8 – Ribokinase ThiM

Ribokinase ThiM experimental SAS data
CORAL model
Sample: Ribokinase ThiM trimer, Staphylococcus aureus protein
Buffer: 50 mM Potassium phosphate 10 mM MgCl2, pH: 7.5
Experiment: SAXS data collected at EMBL X33, DORIS III on 2010 Nov 19
Structure of ThiM from Vitamin B1 biosynthetic pathway of Staphylococcus aureus - Insights into a novel pro-drug approach addressing MRSA infections. Sci Rep 6:22871 (2016)
...Kikhney AG, Müller IB, Eberle RJ, Oberthür D, Cang H, Svergun DI, Perbandt M, Betzel C, Wrenger C
RgGuinier 3.0 nm
Dmax 9.0 nm
VolumePorod 145 nm3

SASDAY8 – Human alphacoronavirus non-structural protein Nsp10 in the presence of Zn

HCoV-229E Non-structural protein 10 experimental SAS data
CORAL model
Sample: HCoV-229E Non-structural protein 10 monomer, Human coronavirus 229E protein
Buffer: 25 mM HEPES 280 mM NaCl 2 mM DTT 500 µM ZnCl2, pH: 7.6
Experiment: SAXS data collected at EMBL X33, DORIS III on 2012 Sep 25
Human alphacoronavirus non-structural protein Nsp10
Sven Falke, Al Kikhney
RgGuinier 1.7 nm
Dmax 5.8 nm

SASDA39 – HCoV-229E Nsp10 in the absence of Zn

HCoV-229E Non-structural protein 10 experimental SAS data
CORAL model
Sample: HCoV-229E Non-structural protein 10 monomer, Human coronavirus 229E protein
Buffer: 25 mM HEPES 400 mM NaCl 1 mM EDTA 5% glycerol 40 mM NaH2PO4, pH: 7.9
Experiment: SAXS data collected at EMBL P12, PETRA III on 2011 Sep 8
Human alphacoronavirus non-structural protein Nsp10
Sven Falke, Al Kikhney
RgGuinier 1.9 nm
Dmax 6.9 nm

SASDA49 – Cation-free slp-B53

S-layer protein experimental SAS data
DAMMIF model
Sample: S-layer protein monomer, Lysinibacillus sphaericus protein
Buffer: Water, pH: 7
Experiment: SAXS data collected at EMBL P12, PETRA III on 2015 Jun 2
Analysis of self-assembly of S-layer protein slp-B53 from Lysinibacillus sphaericus. Eur Biophys J 46(1):77-89 (2017)
...Kikhney A, Guenther T, Fahmy K, Svergun D, Betzel C, Raff J
RgGuinier 5.8 nm
Dmax 22.0 nm
VolumePorod 495 nm3

SASDA59 – slp-B53 with Ca2+

S-layer protein experimental SAS data
DAMMIF model
Sample: S-layer protein monomer, Lysinibacillus sphaericus protein
Buffer: Water with Ca2+, pH:
Experiment: SAXS data collected at EMBL P12, PETRA III on 2015 Jun 2
Analysis of self-assembly of S-layer protein slp-B53 from Lysinibacillus sphaericus. Eur Biophys J 46(1):77-89 (2017)
...Kikhney A, Guenther T, Fahmy K, Svergun D, Betzel C, Raff J
RgGuinier 6.4 nm
Dmax 28.1 nm
VolumePorod 609 nm3

SASDA69 – slp-B53 with Mg2+

S-layer protein experimental SAS data
DAMMIF model
Sample: S-layer protein monomer, Lysinibacillus sphaericus protein
Buffer: Water with Mg2+, pH:
Experiment: SAXS data collected at EMBL P12, PETRA III on 2015 Jun 2
Analysis of self-assembly of S-layer protein slp-B53 from Lysinibacillus sphaericus. Eur Biophys J 46(1):77-89 (2017)
...Kikhney A, Guenther T, Fahmy K, Svergun D, Betzel C, Raff J
RgGuinier 6.6 nm
Dmax 29.0 nm
VolumePorod 597 nm3