Abhishek Singharoy

Search results

• 2019 EMDataResource Model Metrics Challenge Dataset

  Lawson, C. L. (Contributor), Kryshtafovych, A. (Contributor), Adams, P. D. (Contributor), Afonine, P. V. (Contributor), Baker, M. L. (Contributor), Barad, B. A. (Contributor), Bond, P. (Contributor), Burnley, T. (Contributor), Cao, R. (Contributor), Cheng, J. (Contributor), Chojnowski, G. (Contributor), Cowtan, K. (Contributor), Dill, K. A. (Contributor), DiMaio, F. (Contributor), Farrell, D. P. (Contributor), Fraser, J. S. (Contributor), Herzik, M. A. (Contributor), Hoh, S. W. (Contributor), Hou, J. (Contributor), Hung, L. (Contributor), Igaev, M. (Contributor), Joseph, A. P. (Contributor), Kihara, D. (Contributor), Kumar, D. (Contributor), Mittal, S. (Contributor), Monastyrskyy, B. (Contributor), Olek, M. (Contributor), Palmer, C. M. (Contributor), Patwardhan, A. (Contributor), Perez, A. (Contributor), Pfab, J. (Contributor), Richardson, J. S. (Contributor), Sarkar, D. (Contributor), Schäfer, L. U. (Contributor), Schmid, M. F. (Contributor), Schröder, G. F. (Contributor), Shekhar, M. (Contributor), Si, D. (Contributor), Singharoy, A. (Contributor), Terashi, G. (Contributor), Terwilliger, T. C. (Contributor), Vaiana, A. (Contributor), Wang, L. (Contributor), Wankowicz, S. A. (Contributor), Williams, C. J. (Contributor), Winn, M. (Contributor), Wu, T. (Contributor), Yu, X. (Contributor), Zhang, K. (Contributor), Berman, H. M. (Contributor) & Chiu, W. (Contributor), Zenodo, 2020

  DOI: 10.5281/zenodo.4148789, https://zenodo.org/record/4148789

  Dataset

• Data for manuscript "Adaptive Ensemble Refinement of Protein Structures in High Resolution Electron Microscopy Density Maps with Radical Augmented Molecular Dynamics Flexible Fitting"

  Sarkar, D. (Contributor), Lee, H. (Contributor), Vant, J. W. (Contributor), Turilli, M. (Contributor), Vermaas, J. V. (Contributor), Jha, S. (Contributor) & Singharoy, A. (Contributor), Zenodo, Mar 3 2023

  DOI: 10.5281/zenodo.7695738, https://zenodo.org/record/7695738

  Dataset

• Crystal structure of the 2 ADP-AlF4-bound V1 complex

  Shekhar, M. (Contributor), Gupta, C. (Contributor), Suzuki, K. (Contributor), Chan, C. K. (Contributor), Murata, T. (Contributor) & Singharoy, A. (Contributor), Protein Data Bank (PDB), Jun 22 2022

  DOI: 10.2210/pdb7VW7, https://www.wwpdb.org/pdb?id=pdb_00007vw7

  Dataset

• Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 42 - State 6 (S6)

  Dashti, A. (Contributor), Mashayekhi, G. (Contributor), Shekhar, M. (Contributor), Ben Hail, D. (Contributor), Salah, S. (Contributor), Schwander, P. (Contributor), des Georges, A. (Contributor), Singharoy, A. (Contributor), Frank, J. (Contributor) & Ourmazd, A. (Contributor), Protein Data Bank (PDB), Aug 12 2020

  DOI: 10.2210/pdb7JMF, https://www.wwpdb.org/pdb?id=pdb_00007jmf

  Dataset

• 3.6A Yeast Vo state3 prime

  Roh, S. (Contributor), Shekhar, M. (Contributor), Pintilie, G. (Contributor), Chipot, C. (Contributor), Wilkens, S. (Contributor), Singharoy, A. (Contributor) & Chiu, W. (Contributor), Protein Data Bank (PDB), Nov 4 2020

  DOI: 10.2210/pdb6M0S, https://www.wwpdb.org/pdb?id=pdb_00006m0s

  Dataset

• The Capsid Structure of the ChAdOx1 viral vector/chimpanzee adenovirus Y25

  Baker, A. T. (Contributor), Boyd, R. J. (Contributor), Sarkar, D. (Contributor), Teijeira-Crespo, A. (Contributor), Chan, C. K. (Contributor), Bates, E. (Contributor), Waraich, K. (Contributor), Vant, J. (Contributor), Wilson, E. (Contributor), Truong, C. D. (Contributor), Lipka-Lloyd, M. (Contributor), Fromme, P. (Contributor), Vermaas, J. (Contributor), Williams, D. (Contributor), Machiesky, L. (Contributor), Heurich, M. (Contributor), Nagalo, B. M. (Contributor), Coughlan, L. (Contributor), Umlauf, S. (Contributor), Chiu, P. (Contributor), Rizkallah, P. J. (Contributor), Cohen, T. S. (Contributor), Parker, A. L. (Contributor), Singharoy, A. (Contributor) & Borad, M. J. (Contributor), Protein Data Bank (PDB), Dec 15 2021

  DOI: 10.2210/pdb7RD1, https://www.wwpdb.org/pdb?id=pdb_00007rd1

  Dataset

• 2019 EMDataResource Model Metrics Challenge Dataset

  Lawson, C. L. (Contributor), Kryshtafovych, A. (Contributor), Adams, P. D. (Contributor), Afonine, P. V. (Contributor), Baker, M. L. (Contributor), Barad, B. A. (Contributor), Bond, P. (Contributor), Burnley, T. (Contributor), Cao, R. (Contributor), Cheng, J. (Contributor), Chojnowski, G. (Contributor), Cowtan, K. (Contributor), Dill, K. A. (Contributor), DiMaio, F. (Contributor), Farrell, D. P. (Contributor), Fraser, J. S. (Contributor), Herzik, M. A. (Contributor), Hoh, S. W. (Contributor), Hou, J. (Contributor), Hung, L. (Contributor), Igaev, M. (Contributor), Joseph, A. P. (Contributor), Kihara, D. (Contributor), Kumar, D. (Contributor), Mittal, S. (Contributor), Monastyrskyy, B. (Contributor), Olek, M. (Contributor), Palmer, C. M. (Contributor), Patwardhan, A. (Contributor), Perez, A. (Contributor), Pfab, J. (Contributor), Richardson, J. S. (Contributor), Sarkar, D. (Contributor), Schäfer, L. U. (Contributor), Schmid, M. F. (Contributor), Schröder, G. F. (Contributor), Shekhar, M. (Contributor), Si, D. (Contributor), Singharoy, A. (Contributor), Terashi, G. (Contributor), Terwilliger, T. C. (Contributor), Vaiana, A. (Contributor), Wang, L. (Contributor), Wankowicz, S. A. (Contributor), Williams, C. J. (Contributor), Winn, M. (Contributor), Wu, T. (Contributor), Yu, X. (Contributor), Zhang, K. (Contributor), Berman, H. M. (Contributor), Chiu, W. (Contributor), Adams, P. D. (Contributor), Dill, K. (Contributor), DiMaio, F. (Contributor), Hung, L. (Contributor), Pintilie, G. D. (Contributor), Winn, M. (Contributor) & Chiu, W. (Contributor), Zenodo, Oct 28 2020

  DOI: 10.5281/zenodo.4148789, https://zenodo.org4148789

  Dataset

• Molecular dynamics simulations in: High-resolution structures with bound Mn2+ and Cd2+ map the metal import pathway in an Nramp transporter

  Wilson, E. (Contributor), Berry, S. (Contributor), Shekhar, M. (Contributor), Gaudet, R. (Contributor) & Singharoy, A. (Contributor), Zenodo, Nov 17 2022

  DOI: 10.5061/dryad.tx95x6b2b, https://zenodo.org/record/7332182

  Dataset

• X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an occluded, manganese-bound state

  Ray, S. (Contributor), Berry, S. P. (Contributor), Wilson, E. A. (Contributor), Zhang, C. H. (Contributor), Shekhar, M. (Contributor), Singharoy, A. (Contributor) & Gaudet, R. (Contributor), Protein Data Bank (PDB), May 3 2023

  DOI: 10.2210/pdb8E60, https://www.wwpdb.org/pdb?id=pdb_00008e60

  Dataset

• X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter M230A mutant in an inward-open, manganese-bound state

  Ray, S. (Contributor), Berry, S. P. (Contributor), Wilson, E. A. (Contributor), Zhang, C. H. (Contributor), Shekhar, M. (Contributor), Singharoy, A. (Contributor) & Gaudet, R. (Contributor), Protein Data Bank (PDB), May 3 2023

  DOI: 10.2210/pdb8E6I, https://www.wwpdb.org/pdb?id=pdb_00008e6i

  Dataset

• X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WTsoak in an occluded state

  Ray, S. (Contributor), Berry, S. P. (Contributor), Wilson, E. A. (Contributor), Zhang, C. H. (Contributor), Shekhar, M. (Contributor), Singharoy, A. (Contributor) & Gaudet, R. (Contributor), Protein Data Bank (PDB), May 3 2023

  DOI: 10.2210/pdb8E5V, https://www.wwpdb.org/pdb?id=pdb_00008e5v

  Dataset

• Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 29 - State 3 (S3)

  Dashti, A. (Contributor), Mashayekhi, G. (Contributor), Shekhar, M. (Contributor), Ben Hail, D. (Contributor), Salah, S. (Contributor), Schwander, P. (Contributor), des Georges, A. (Contributor), Singharoy, A. (Contributor), Frank, J. (Contributor) & Ourmazd, A. (Contributor), Protein Data Bank (PDB), Aug 12 2020

  DOI: 10.2210/pdb7JMI, https://www.wwpdb.org/pdb?id=pdb_00007jmi

  Dataset

• Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 35 - State 4 (S4)

  Dashti, A. (Contributor), Mashayekhi, G. (Contributor), Shekhar, M. (Contributor), Ben Hail, D. (Contributor), Salah, S. (Contributor), Schwander, P. (Contributor), des Georges, A. (Contributor), Singharoy, A. (Contributor), Frank, J. (Contributor) & Ourmazd, A. (Contributor), Protein Data Bank (PDB), Aug 12 2020

  DOI: 10.2210/pdb7JMH, https://www.wwpdb.org/pdb?id=pdb_00007jmh

  Dataset

• X-ray Structure of Flpp3

  Zook, J. (Contributor), Shekhar, M. (Contributor), Hansen, D. (Contributor), Conrad, C. (Contributor), Grant, T. (Contributor), Gupta, C. (Contributor), White, T. (Contributor), Barty, A. (Contributor), Basu, S. (Contributor), Zhao, Y. (Contributor), Zatsepin, N. (Contributor), Ishchenko, A. (Contributor), Batyuk, A. (Contributor), Gati, C. (Contributor), Li, C. (Contributor), Galli, L. (Contributor), Coe, J. (Contributor), Hunter, M. (Contributor), Liang, M. (Contributor), Weierstall, U. (Contributor), Nelson, G. (Contributor), James, D. (Contributor), Stauch, B. (Contributor), Craciunescu, F. (Contributor), Thifault, D. (Contributor), Liu, W. (Contributor), Cherezov, V. (Contributor), Singharoy, A. (Contributor) & Fromme, P. (Contributor), Protein Data Bank (PDB), Feb 26 2020

  DOI: 10.2210/pdb6PNY, https://www.wwpdb.org/pdb?id=pdb_00006pny

  Dataset

• Chadox1/ Chimpanzee adenovirus Y25 fiber knob protein

  Baker, A. T. (Contributor), Boyd, R. J. (Contributor), Sarkar, D. (Contributor), Teijeira-Crespo, A. (Contributor), Chan, C. K. (Contributor), Bates, E. (Contributor), Waraich, K. (Contributor), Vant, J. (Contributor), Wilson, E. (Contributor), Truong, C. D. (Contributor), Lipka-Lloyd, M. (Contributor), Fromme, P. (Contributor), Vermaas, J. (Contributor), Williams, D. (Contributor), Machiesky, L. (Contributor), Heurich, M. (Contributor), Nagalo, B. M. (Contributor), Coughlan, L. (Contributor), Umlauf, S. (Contributor), Chiu, P. (Contributor), Rizkallah, P. J. (Contributor), Cohen, T. S. (Contributor), Parker, A. L. (Contributor), Singharoy, A. (Contributor) & Borad, M. J. (Contributor), Protein Data Bank (PDB), Jun 23 2021

  DOI: 10.2210/pdb7OP2, https://www.wwpdb.org/pdb?id=pdb_00007op2

  Dataset

• Structural insights into the modulation of coronavirus spike tilting and infectivity by hinge glycans

  Chmielewski, D. (Contributor), Wilson, E. A. (Creator), Pintilie, G. (Creator), Zhao, P. (Creator), Chen, M. (Creator), Schmid, M. F. (Creator), Simmons, G. (Creator), Wells, L. (Creator), Jin, J. (Creator), Singharoy, A. (Contributor) & Chiu, W. (Creator), Figshare, 2023

  DOI: 10.6084/m9.figshare.23040782.v1, https://springernature.figshare.com/articles/dataset/Structural_insights_into_the_modulation_of_coronavirus_spike_tilting_and_infectivity_by_hinge_glycans/23040782/1

  Dataset

• Molecular dynamics simulations in: High-resolution structures with bound Mn2+ and Cd2+ map the metal import pathway in an Nramp transporter

  Wilson, E. (Creator), Berry, S. (Creator), Shekhar, M. (Creator), Gaudet, R. (Creator) & Singharoy, A. (Creator), DRYAD, Nov 17 2022

  DOI: 10.5061/dryad.tx95x6b2b, https://datadryad.org/stash/dataset/doi:10.5061/dryad.tx95x6b2b

  Dataset

• Structural insights into the modulation of coronavirus spike tilting and infectivity by hinge glycans

  Chmielewski, D. (Contributor), Wilson, E. A. (Creator), Pintilie, G. (Creator), Zhao, P. (Creator), Chen, M. (Creator), Schmid, M. F. (Creator), Simmons, G. (Creator), Wells, L. (Creator), Jin, J. (Creator), Singharoy, A. (Contributor) & Chiu, W. (Creator), Figshare, 2023

  DOI: 10.6084/m9.figshare.23040782, https://springernature.figshare.com/articles/dataset/Structural_insights_into_the_modulation_of_coronavirus_spike_tilting_and_infectivity_by_hinge_glycans/23040782

  Dataset

• X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter A47W mutant in an occluded, manganese-bound state

  Ray, S. (Contributor), Berry, S. P. (Contributor), Wilson, E. A. (Contributor), Zhang, C. H. (Contributor), Shekhar, M. (Contributor), Singharoy, A. (Contributor) & Gaudet, R. (Contributor), Protein Data Bank (PDB), May 3 2023

  DOI: 10.2210/pdb8E6H, https://www.wwpdb.org/pdb?id=pdb_00008e6h

  Dataset

• X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter D296A mutant in an inward-open, manganese-bound state

  Ray, S. (Contributor), Berry, S. P. (Contributor), Wilson, E. A. (Contributor), Zhang, C. H. (Contributor), Shekhar, M. (Contributor), Singharoy, A. (Contributor) & Gaudet, R. (Contributor), Protein Data Bank (PDB), May 3 2023

  DOI: 10.2210/pdb8E6L, https://www.wwpdb.org/pdb?id=pdb_00008e6l

  Dataset

• X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an inward-open, cadmium-bound state

  Ray, S. (Contributor), Berry, S. P. (Contributor), Wilson, E. A. (Contributor), Zhang, C. H. (Contributor), Shekhar, M. (Contributor), Singharoy, A. (Contributor) & Gaudet, R. (Contributor), Protein Data Bank (PDB), May 3 2023

  DOI: 10.2210/pdb8E6M, https://www.wwpdb.org/pdb?id=pdb_00008e6m

  Dataset

• X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter G223W mutant in an outward-open, manganese-bound state

  Ray, S. (Contributor), Berry, S. P. (Contributor), Wilson, E. A. (Contributor), Zhang, C. H. (Contributor), Shekhar, M. (Contributor), Singharoy, A. (Contributor) & Gaudet, R. (Contributor), Protein Data Bank (PDB), May 3 2023

  DOI: 10.2210/pdb8E6N, https://www.wwpdb.org/pdb?id=pdb_00008e6n

  Dataset

• X-ray structure of the Deinococcus radiodurans Nramp/MntH divalent transition metal transporter WT in an occluded state

  Ray, S. (Contributor), Berry, S. P. (Contributor), Wilson, E. A. (Contributor), Zhang, C. H. (Contributor), Shekhar, M. (Contributor), Singharoy, A. (Contributor) & Gaudet, R. (Contributor), Protein Data Bank (PDB), May 3 2023

  DOI: 10.2210/pdb8E5S, https://www.wwpdb.org/pdb?id=pdb_00008e5s

  Dataset

• Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 22 - State 2 (S2)

  Dashti, A. (Contributor), Mashayekhi, G. (Contributor), Shekhar, M. (Contributor), Ben Hail, D. (Contributor), Salah, S. (Contributor), Schwander, P. (Contributor), des Georges, A. (Contributor), Singharoy, A. (Contributor), Frank, J. (Contributor) & Ourmazd, A. (Contributor), Protein Data Bank (PDB), Aug 12 2020

  DOI: 10.2210/pdb7JMG, https://www.wwpdb.org/pdb?id=pdb_00007jmg

  Dataset

• Functional Pathways of Biomolecules Retrieved from Single-particle Snapshots - Frame 37 - State 5 (S5)

  Dashti, A. (Contributor), Mashayekhi, G. (Contributor), Shekhar, M. (Contributor), Ben Hail, D. (Contributor), Salah, S. (Contributor), Schwander, P. (Contributor), des Georges, A. (Contributor), Singharoy, A. (Contributor), Frank, J. (Contributor) & Ourmazd, A. (Contributor), Protein Data Bank (PDB), Aug 12 2020

  DOI: 10.2210/pdb7JMJ, https://www.wwpdb.org/pdb?id=pdb_00007jmj

  Dataset