SASDNH6 – full-length MERS CoV N-protein complexed with 5-(2-fluoroethoxy)-1H-indole (P4-3 compound)

Nucleoprotein5-(2-fluoroethoxy)-1H-indole experimental SAS data
CORAL model
Sample: Nucleoprotein tetramer, 183 kDa Middle East respiratory … protein
5-(2-fluoroethoxy)-1H-indole tetramer, 1 kDa
Buffer: 50 mM Tris-HCl, 150 mM NaCl, pH: 8.5
Experiment: SAXS data collected at 23A, Taiwan Photon Source, NSRRC on 2019 Nov 26
Targeting the N-Terminus Domain of the Coronavirus Nucleocapsid Protein Induces Abnormal Oligomerization via Allosteric Modulation Frontiers in Molecular Biosciences 9 (2022)
Hsu J, Chen J, Lin S, Hong J, Chen Y, Jeng U, Luo S, Hou M
RgGuinier 5.7 nm
Dmax 19.1 nm
VolumePorod 477 nm3

SASDNJ6 – full-length MERS CoV N-protein complexed with 5-(2-methoxyethoxy)-1H-indole (P4-4 compound)

Nucleoprotein5-(2-methoxyethoxy)-1H-indole experimental SAS data
CORAL model
Sample: Nucleoprotein tetramer, 183 kDa Middle East respiratory … protein
5-(2-methoxyethoxy)-1H-indole tetramer, 1 kDa
Buffer: 50 mM Tris-HCl, 150 mM NaCl, pH: 8.5
Experiment: SAXS data collected at 23A, Taiwan Photon Source, NSRRC on 2019 Nov 26
Targeting the N-Terminus Domain of the Coronavirus Nucleocapsid Protein Induces Abnormal Oligomerization via Allosteric Modulation Frontiers in Molecular Biosciences 9 (2022)
Hsu J, Chen J, Lin S, Hong J, Chen Y, Jeng U, Luo S, Hou M
RgGuinier 6.0 nm
Dmax 18.5 nm
VolumePorod 500 nm3

SASDHL8 – Aquifex aeolicus McoA metaloxidase evolved variant (2F4)

McoA evolved variant 2F4 (Periplasmic cell division protein (SufI)) experimental SAS data
OTHER model
Sample: McoA evolved variant 2F4 (Periplasmic cell division protein (SufI)) monomer, 55 kDa Aquifex aeolicus VF5 protein
Buffer: 50 mM Tris-HCl, 150 mM NaCl, 2 mM TCEP, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2017 Sep 25
Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase ACS Catalysis :5022-5035 (2022)
Brissos V, Borges P, Núñez-Franco R, Lucas M, Frazão C, Monza E, Masgrau L, Cordeiro T, Martins L
RgGuinier 2.3 nm
Dmax 6.8 nm
VolumePorod 78 nm3

SASDHM8 – Aquifex aeolicus McoA metaloxidase ∆328-352 evolved variant (2F4∆328-352)

Aquifex aeolicus McoA metaloxidase ∆328-352 evolved variant (2F4∆328-352) experimental SAS data
DAMMIF model
Sample: Aquifex aeolicus McoA metaloxidase ∆328-352 evolved variant (2F4∆328-352) monomer, 53 kDa Aquifex aeolicus protein
Buffer: 50 mM Tris-HCl, 150 mM NaCl, 2 mM TCEP, pH: 7.5
Experiment: SAXS data collected at BM29, ESRF on 2018 Jul 18
Distal Mutations Shape Substrate-Binding Sites during Evolution of a Metallo-Oxidase into a Laccase ACS Catalysis :5022-5035 (2022)
Brissos V, Borges P, Núñez-Franco R, Lucas M, Frazão C, Monza E, Masgrau L, Cordeiro T, Martins L
RgGuinier 2.2 nm
Dmax 6.6 nm
VolumePorod 74 nm3

SASDLD2 – Circular permutant Carboxypeptidase G2-CP-N89-K177A

Carboxypeptidase G2 (circular permutant CP-N89) K177A experimental SAS data
PDB (PROTEIN DATA BANK) model
Sample: Carboxypeptidase G2 (circular permutant CP-N89) K177A dimer, 85 kDa Pseudomonas sp. (strain … protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2017 Jun 6
Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A 119(15):e2116097119 (2022)
Yachnin BJ, Azouz LR, White RE 3rd, Minetti CASA, Remeta DP, Tan VM, Drake JM, Khare SD
RgGuinier 3.6 nm
Dmax 14.0 nm
VolumePorod 105 nm3

SASDLE2 – Circular permutant Carboxypeptidase G2-CP-N89-K177A with methotrexate

Carboxypeptidase G2 (circular permutant CP-N89) K177AMethotrexate experimental SAS data
ROSETTA model
Sample: Carboxypeptidase G2 (circular permutant CP-N89) K177A dimer, 85 kDa Pseudomonas sp. (strain … protein
Methotrexate dimer, 1 kDa
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2017 Jun 6
Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A 119(15):e2116097119 (2022)
Yachnin BJ, Azouz LR, White RE 3rd, Minetti CASA, Remeta DP, Tan VM, Drake JM, Khare SD
RgGuinier 3.5 nm
Dmax 12.7 nm
VolumePorod 104 nm3

SASDLF2 – Pro-CPG2-1 (pro-enzyme design 1 of circular permutant Carboxypeptidase G2-CP-N89-K177A)

Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 experimental SAS data
ROSETTA model
Sample: Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 dimer, 100 kDa Pseudomonas sp. (strain … protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2018 May 8
Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A 119(15):e2116097119 (2022)
Yachnin BJ, Azouz LR, White RE 3rd, Minetti CASA, Remeta DP, Tan VM, Drake JM, Khare SD
RgGuinier 3.6 nm
Dmax 12.4 nm
VolumePorod 125 nm3

SASDLG2 – Pro-CPG2-1 (pro-enzyme design 1 of circular permutant Carboxypeptidase G2-CP-N89-K177A) with Methotrexate

MethotrexatePro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 experimental SAS data
ROSETTA model
Sample: Methotrexate dimer, 1 kDa
Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 1 dimer, 100 kDa Pseudomonas sp. (strain … protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2018 May 8
Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A 119(15):e2116097119 (2022)
Yachnin BJ, Azouz LR, White RE 3rd, Minetti CASA, Remeta DP, Tan VM, Drake JM, Khare SD
RgGuinier 3.5 nm
Dmax 12.2 nm
VolumePorod 123 nm3

SASDLH2 – Pro-CPG2-2 (pro-enzyme design 2 of circular permutant Carboxypeptidase G2-CP-N89-K177A)

Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2 experimental SAS data
ROSETTA model
Sample: Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2 dimer, 100 kDa Pseudomonas sp. (strain … protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2018 May 8
Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A 119(15):e2116097119 (2022)
Yachnin BJ, Azouz LR, White RE 3rd, Minetti CASA, Remeta DP, Tan VM, Drake JM, Khare SD
RgGuinier 3.7 nm
Dmax 12.5 nm
VolumePorod 126 nm3

SASDLJ2 – Pro-CPG2-2 (pro-enzyme design 2 of circular permutant Carboxypeptidase G2-CP-N89-K177A) with Methotrexate

MethotrexatePro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2 experimental SAS data
ROSETTA model
Sample: Methotrexate dimer, 1 kDa
Pro-Carboxypeptidase G2 (circular permutant CP-N89) K177A Design 2 dimer, 100 kDa Pseudomonas sp. (strain … protein
Buffer: 50 mM Tris, 100 mM NaCl, pH: 7.4
Experiment: SAXS data collected at 12.3.1 (SIBYLS), Advanced Light Source (ALS) on 2018 May 8
Massively parallel, computationally guided design of a proenzyme. Proc Natl Acad Sci U S A 119(15):e2116097119 (2022)
Yachnin BJ, Azouz LR, White RE 3rd, Minetti CASA, Remeta DP, Tan VM, Drake JM, Khare SD
RgGuinier 3.5 nm
Dmax 12.1 nm
VolumePorod 125 nm3

5185 hits found.