Reading List

MDPath: Unraveling Allosteric Communication Paths of Drug Targets through Molecular Dynamics Simulations

1. Niklas Piet Doering
2. Marvin Taterra
3. Marcel Bermudez
4. Gerhard Wolber

The BK channel-NS1619 agonist complex reveals molecular insights on allosteric activation gating

1. Naileth Gonzalez-Sanabria
2. Gustavo F. Contreras
3. Maximiliano Rojas
4. Yorley Duarte
5. Fernando D. Gonzalez-Nilo
6. Eduardo Perozo
7. Ramon Latorre

Molecular basis for multidrug efflux by an anaerobic RND transporter

1. Ryan Lawrence
2. Mohd Athar
3. Muhammad R. Uddin
4. Christopher Adams
5. Joana S. Sousa
6. Oliver Durrant
7. Sophie Lellman
8. Lucy Sutton
9. C. William Keevil
10. Nisha Patel
11. Christine Prosser
12. David McMillan
13. Helen I. Zgurskaya
14. Attilio V. Vargiu
15. Zainab Ahdash
16. Eamonn Reading

Computational design of constitutively active mutants of Dopamine D2 receptor inspired by ligand-independent activation mechanisms

1. Yue Chen
2. Marcus Saarinen
3. Akshay Naraine
4. Jens Carlsson
5. Per Svenningsson
6. Lucie Delemotte

Non-canonical regulation of the plasma membrane copper transporter CTR1 through modulation of membrane mechanical properties

1. Arnab Gupta
2. Bidisha Sinha
3. Durba Sengupta
4. Subhendu Kumar Chatterjee
5. Sumanta Kar
6. Siddhanta Nikte
7. Tisha Dash
8. Saptarshi Maji
9. Tanmoy Ghosh

Structural basis for selective inhibition of human GABA transporter GAT3

1. Jonas Sigurd Mortensen
2. Francesco Bavo
3. Alexander Peder Smiszek Pedersen
4. Julian Philipp Storm
5. Tillmann Pape
6. Bente Frølund
7. Petrine Wellendorph
8. Azadeh Shahsavar

Generative Landscapes and Dynamics to Design Multidomain Artificial Transmembrane Transporters

1. Fernando Montalvillo Ortega
2. Fariha Hossain
3. Vladimir V. Volobouev
4. Gabriele Meloni
5. Hedieh Torabifard
6. Faruck Morcos

Molecular dynamics of membrane partitioning of nifedipine prior to binding calcium channel Cav1.1

1. Warre Dhondt
2. Louis Vanduyfhuys
3. Ahmad Reza Mehdipour

Structural Insights into Kainate Receptor Desensitization

1. Changping Zhou
2. Guadalupe Segura-Covarrubias
3. Nami Tajima

Molecular dynamics study of differential effects of serotonin-2A-receptor (5-HT2AR) modulators

1. Jordy Peeters
2. Dimitri De Bundel
3. Kenno Vanommeslaeghe

Extracellular Nanobody Screening using Conformationally Stable GPCR

1. Xin Zhang
2. Kaixuan Gao
3. Jia Nie
4. Hengyu Meng
5. Xiaoou Sun
6. Jiawei Zhao
7. Xiangyu Liu

A GPCR-G protein-β-arrestin megacomplex induced by an allosteric modulator

1. Guodong He
2. Qinxin Sun
3. Xinyu Xu
4. Fang Kong
5. Shuhao Zhang
6. Kexin Ye
7. Xiaoou Sun
8. Xin Chen
9. Chuangye Yan
10. Xiangyu Liu

A pan-positive allosteric modulator that mediates sustainable GPCR activation

1. Qinxin Sun
2. Guodong He
3. Xinyu Xu
4. Fang Kong
5. Shuhao Zhang
6. Xiaoou Sun
7. Chuangye Yan
8. Xiangyu Liu

De novo design of miniprotein agonists and antagonists targeting G protein-coupled receptors

1. Edin Muratspahić
2. David Feldman
3. David E. Kim
4. Xiangli Qu
5. Ana-Maria Bratovianu
6. Paula Rivera-Sánchez
7. Federica Dimitri
8. Jason Cao
9. Brian P. Cary
10. Matthew J. Belousoff
11. Peter Keov
12. Qingchao Chen
13. Yue Ren
14. Justyn Fine
15. Isaac Sappington
16. Thomas Schlichthaerle
17. Jason Z. Zhang
18. Arvind Pillai
19. Ljubica Mihaljević
20. Magnus Bauer
21. Susana Vázquez Torres
22. Amir Motmaen
23. Gyu Rie Lee
24. Long Tran
25. Xinru Wang
26. Inna Goreshnik
27. Dionne K. Vafeados
28. Justin E. Svendsen
29. Parisa Hosseinzadeh
30. Nicolai Lindegaard
31. Matthäus Brandt
32. Yann Waltenspühl
33. Kristine Deibler
34. Luke Oostdyk
35. William Cao
36. Lakshmi Anantharaman
37. Lance Stewart
38. Lauren Halloran
39. Jamie B. Spangler
40. Patrick M. Sexton
41. Bryan L. Roth
42. Brian E. Krumm
43. Denise Wootten
44. Christopher G. Tate
45. Christoffer Norn
46. David Baker

Reviewed by Arcadia Science

Structures of the honeybee GABA _A RDL receptor illuminate allosteric modulation

1. Tatiana Labouré
2. Mayank Prakash Pandey
3. Eleftherios Zarkadas
4. Céline Juillan-Binard
5. Delphine Baud
6. Jacques Neyton
7. Thierry Cens
8. Matthieu Rousset
9. François Dehez
10. Pierre Charnet
11. Hugues Nury

Identification and characterization of potent and selective inhibitors for the B ⁰ AT2/SLC6A15 amino acid transporter

1. S Cuboni
2. F Hausch

Cryo-EM structures of a pentameric ligand-gated ion channel in liposomes

1. Vikram Dalal
2. Brandon K Tan
3. Hanrui Xu
4. Wayland WL Cheng

• Curated by eLife

  eLife Assessment

  The reported cryo-EM imaging of a pentameric ligand-gated ion channel in liposomes as opposed to nanodiscs has both broad implications and contributes valuable methodological advances to the structural investigation of membrane receptors. The comparison of structures assigned to distinct functional states in liposomes versus nanodiscs is convincing and will aid membrane protein structural biologists in selection of functionally relevant membrane reconstitution environments.

Reviewed by eLife

Animal-free recombinant nanobody rescues HCN4 channel deficit in sinus node dysfunction

1. Atiyeh Sadat Sharifzadeh
2. Roberta Castelli
3. Alessandro Porro
4. Pietro Mesirca
5. Romain Perrier
6. Ana M Gómez
7. Hugo Benoit
8. Albano C. Meli
9. Luca M G Palloni
10. Dario DiFrancesco
11. Matteo E. Mangoni
12. Gerhard Thiel
13. Andrea Saponaro
14. Anna Moroni

Antidepressants interact with an LPA ₃ receptor binding site: functional and docking studies

1. K. Helivier Solís
2. Ana I. Jardón-Ibañez
3. M. Teresa Romero-Ávila
4. Ruth Rincón-Heredia
5. José Correa-Basurto
6. J. Adolfo García-Sáinz

LetA defines a structurally distinct transporter family involved in lipid trafficking

1. Cristina C. Santarossa
2. Yupeng Li
3. Sara Yousef
4. Hale S. Hasdemir
5. Carlos C. Rodriguez
6. Max B. Haase
7. Minkyung Baek
8. Nicolas Coudray
9. John G. Pavek
10. Kimber N. Focke
11. Annika L. Silverberg
12. Carmelita Bautista
13. Johannes Yeh
14. Michael T. Marty
15. David Baker
16. Emad Tajkhorshid
17. Damian C. Ekiert
18. Gira Bhabha