Articles:
1) The refined structure of nascent HDL reveals a key functional domain for particle maturation and dysfunction
Wu, Z.; Wagner, M. A.; Zheng, L.; Parks, J. S.; Shy II, J. M.; Smith, J. D.; Gogonea, V.; Hazen, S. L. Nat. Struct. Mol. Biol. 14 , 861-8 (2007).
Computational model:
1a)
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All-atom molecular model of the Solar Flares model of nascent HDL (PDB file) Also available at http://mi.caspur.it/PMDB/main.php (accession code PM0074956) |
2) The double super helix model of high density lipoprotein
Wu, Z.; Gogonea, V.; Lee, X.; Wagner, M. A.; Li, X.-M.; Huang, Y.; Arundhati, U.; May, R. P.; Haertlein, M.; Moulin, M.; Gutsche, I.; Zaccai, G.; DiDonato, J.; Hazen, S. L. J. Biol. Chem. 284 , 36605-19 (2009).
Experimental data and computational models:
2a) Small angle neutron scattering intensities for the protein component of nascent HDL (12 % D2O, collected at the Institute Laue-Langevin, Grenoble, France)
2b)
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The solution low-resolution structure of the protein component of nascent HDL obtained by small angle neutron scattering with contrast variation (12 % D 2 O, ILL data, PDB file) |
2c) Small angle neutron scattering intensities for the lipid component of nascent HDL (42 % D2O, collected at the Institute Laue-Langevin, Grenoble, France)
2d)
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The solution low-resolution structure of the lipid component of nascent HDL obtained by small angle neutron scattering with contrast variation (42 % D 2 O, ILL data, PDB file) |
2e)
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The Double Super Helix model of nascent HDL (PDB file) Also available at http://www.rcsb.org/pdb/explore/explore.do?structureId=3K2S (accession code 3K2S) |
3) Congruency between biophysical data from multiple platforms and molecular dynamics simulation of the double super helix model of nascent high-density lipoprotein
Gogonea, V.; Wu, Z.; Lee, X.; Pipich, V.; Li, X.-M., Ioffe, I. A.; DiDonato, J.; Hazen, S. L. Biochemistry , 49 , 7323-43 (2010).
Experimental and computational models, and data calculated from simulation trajectory:
3a) Small angle neutron scattering intensities for the protein component of nascent HDL (12 % D2O, collected at the Jülich Center for Neutron Science, Garching, Germany)
3b)
3c) Small angle neutron scattering intensities for the lipid component of nascent HDL (42 % D2O, collected at the Jülich Center for Neutron Science, Garching, Germany)
3d)
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The solution low-resolution structure of the lipid component of nascent HDL obtained by small angle neutron scattering with contrast variation (42 % D 2 O, JCNS data, PDB file) |
3e)
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3f) Hydrogen-deuterium exchange data (HD incorporation factors, residue unfolding constants, HD exchange rate constants) calculated from the molecular dynamics simulation trajectory of the Double Super Helix model (excel format)
4) The low resolution structure of ApoA1 in spherical high density lipoprotein revealed by small angle neutron scattering
Wu, Z.; Gogonea, V.; Lee, X.; May, R.P.; Pipich, V.; Wagner, M.A.; Undurti, A.; Tallant, T. C.; Baleanu-Gogonea, C.; Charlton, F.; Ioffe, I. A.; DiDonato, J.A.; Rye, K.-A.; Hazen, S. L. J. Biol. Chem. , in print.
Low resolution structures:
4a) Small angle neutron scattering intensities for the protein component of spherical HDL (12 % D2O)
4b)
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The solution low-resolution structure of the protein component of spherical HDL obtained by small angle neutron scattering with contrast variation (12 % D 2 O, PDB file) |
4c) Small angle neutron scattering intensities for the lipid component of spherical HDL (42 % D2O)
4d)
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The solution low-resolution structure of the lipid component of spherical HDL obtained by small angle neutron scattering with contrast variation (42 % D 2 O, PDB file) |
