Newsletter 529 (January 20, 2025) NIH Structural Biology Methods SIG

 

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HAPPY NEW YEAR!!

 

DECEMBER 2024 PUBLICATIONS BY MEMBERS OF THE GROUP

 

1: Bregnard T, Fairchild D, Chen X, Erlandsen H, Tarasov SG, Walters KJ, Korzhnev DM, Bezsonova I.

Differences in structure, dynamics and Zn-coordination between isoforms of human ubiquitin ligase UBE3A. 

J Biol Chem. 2024 Dec 30:108149. doi: 10.1016/j.jbc.2024.108149. Epub ahead of print.

PMID: 39742997. 

 

2: Das M, Hile SE, Brewster J, Boer JL, Bezalel-Buch R, Guo Q, Yang W, Burgers PM, Eckert KA, Freudenreich CH.

DNA polymerase zeta can efficiently replicate structures formed by AT/TA repeat sequences and prevent their deletion. 

Nucleic Acids Res. 2024 Dec 27:gkae1254. doi: 10.1093/nar/gkae1254. Epub ahead of print.

PMID: 39727171.

 

3: Degenhardt MFS, Degenhardt HF, Bhandari YR, Lee YT, Ding J, Yu P, Heinz WF, Stagno JR, Schwieters CD, Watts NR, Wingfield PT, Rein A,Zhang J, Wang YX. 

Determining structures of RNA conformers using AFM and deep neural networks.

Nature. 2024 Dec 18. doi: 10.1038/s41586-024-07559-x. Epub ahead of print.

PMID: 39695231.

 

4: Lee YT, Degenhardt MFS, Skeparnias I, Degenhardt HF, Bhandari YR, Yu P, Stagno JR, Fan L, Zhang J, Wang YX. 

The conformational space of RNase P RNA in solution.

Nature. 2024 Dec 18. doi: 10.1038/s41586-024-08336-6. Epub ahead of print.

PMID: 39695229.

 

5: Ghosh S, Clore GM. 

Decoding chaperone complexes: Insights from NMR spectroscopy.

Biophys Rev (Melville). 2024 Dec 10;5(4):041308. doi: 10.1063/5.0233299.

PMID: 39679202; PMCID: PMC11637561.

 

6: Cale EM, Shen CH, Olia AS, Radakovich NA, Rawi R, Yang Y, Ambrozak DR, Bennici AK, Chuang GY, Crooks ED, Driscoll JI, Lin BC, Louder MK, Madden PJ, Messina MA, Osawa K, Stewart-Jones GBE, Verardi R, Vrakas Z, Xie D, Zhang B, Binley JM, Connors M, Koup RA, Pierson TC, Doria-Rose NA, Kwong PD, Mascola JR, Gorman J.

A multidonor class of highly glycan-dependent HIV-1 gp120-gp41 interface-targeting broadly neutralizing antibodies. 

Cell Rep. 2024 Dec 24;43(12):115010. doi: 10.1016/j.celrep.2024.115010.  Epub 2024 Dec 14.

PMID: 39675002.

 

7: Reimund M, Dearborn AD, Graziano G, Lei H, Ciancone AM, Kumar A, Holewinski R, Neufeld EB, O'Reilly FJ, Remaley AT, Marcotrigiano J.

Structure of apolipoprotein B100 bound to the low-density lipoprotein receptor.

Nature. 2024 Dec 11. doi: 10.1038/s41586-024-08223-0. Epub ahead of print.

PMID: 39663455.

 

8: Wlodawer A, Hmeljak J.

In conversation with Alexander Wlodawer.

FEBS J. 2024 Dec 6. doi: 10.1111/febs.17322. Epub ahead of print.

PMID: 39642095.

 

9: Lee M, Lu M, Zhang B, Zhou T, Katte R, Han Y, Rawi R, Kwong PD.

HIV-1-envelope trimer transitions from prefusion-closed to CD4-bound-open conformations through an occluded-intermediate state. 

Comput Struct Biotechnol J. 2024 Nov 12;23:4192-4204. doi: 10.1016/j.csbj.2024.11.020.

PMID: 39640534; PMCID: PMC11617889.

 

10: Temme JS, Tan Z, Li M, Yang M, Wlodawer A, Huang X, Schneekloth JS Jr,

Gildersleeve JC.

Insights into biofilm architecture and maturation enable improved clinical strategies for exopolysaccharide-targeting therapeutics. 

Cell Chem Biol. 2024 Dec 19;31(12):2096-2111.e7.  doi: 10.1016/j.chembiol.2024.11.005. Epub 2024 Dec 4.

PMID: 39637855.

 

11: Bu F, Adam Y, Adamiak RW, Antczak M, de Aquino BRH, Badepally NG, Batey RT, Baulin EF, Boinski P, Boniecki MJ, Bujnicki JM, Carpenter KA, Chacon J, Chen SJ, Chiu W, Cordero P, Das NK, Das R, Dawson WK, DiMaio F, Ding F, Dock Bregeon AC, Dokholyan NV, Dror RO, Dunin-Horkawicz S, Eismann S, Ennifar E, Esmaeeli R, Farsani MA, Ferré-D'Amaré AR, Geniesse C, Ghanim GE, Guzman HV, Hood IV, Huang L, Jain DS, Jaryani F, Jin L, Joshi A, Karelina M, Kieft JS, Kladwang W, Kmiecik S, Koirala D, Kollmann M, Kretsch RC, Kurciński M, Li J, Li S, Magnus M, Masquida B, Moafinejad SN, Mondal A, Mukherjee S, Nguyen THD, Nikolaev G, Nithin C, Nye G, Pandaranadar Jeyeram IPN, Perez A, Pham P, Piccirilli JA, Pilla SP, Pluta R, Poblete S, Ponce-Salvatierra A, Popenda M, Popenda L, Pucci F, Rangan R, Ray A, Ren A, Sarzynska J, Sha CM, Stefaniak F, Su Z, Suddala KC, Szachniuk M, Townshend R, Trachman RJ 3rd, Wang J, Wang W, Watkins A, Wirecki TK, Xiao Y, Xiong P, Xiong Y, Yang J, Yesselman JD, Zhang J, Zhang Y, Zhang Z, Zhou Y, Zok T, Zhang D, Zhang S, Żyła A, Westhof E, Miao Z.

RNA-Puzzles Round V: blind predictions of 23 RNA structures.

Nat Methods. 2024 Dec 2. doi:0.1038/s41592-024-02543-9. Epub ahead of print.

PMID: 39623050.

 

For timely listing, please send a heads-up E-mail to the Editor upon publication.

 

 

RECENT TOPICS IN THE LITERATURE:

 

 

METHODS – Sample Preparation Tips

 

Y. Huang et al., “Recent Advances in Expression Screening and Sample Evaluation for Structural Studies of Membrane Proteins” PMID: 39362625.

 

K. McGuire et al., “Tuning ice thickness using the chameleon for high-quality cryoEM data collection” PMID: 38746094.

 

B. Cook et al., “Preparation of oxygen-sensitive proteins for high-resolution cryoEM structure determination using (an)aerobic blot-free vitrification” PMID: 39091810.

 

R. Warmack et al., “Anaerobic cryoEM protocols for air- sensitive nitrogenase proteins” PMID: 38575747.

 

I.J. Hirst et al., “CryoEM grid preparation: a closer look at advancements and impact of preparation mode and new approaches” PMID: 38864435.

 

S. Yadav and K.R. Vinothkumar, “Factors affecting macromolecule orientations in thin films formed in cryo-EM” PMID: 38935342.

 

S.E.J. Bowman et al., “Preparing research samples for safe arrival at centers and facilities: recipes for successful experiments” PMID: 38990054.

 

 

METHODS – Macromolecular Crystallography

 

M. Schaefer et al., “Surface-mutagenesis strategies to enable structural biology crystallization platforms”  PMID: 39207897.

 

 

METHODS – Integrative Structural Biology

 

M. Bazayeva et al., “A database overview of metal-coordination distances in metalloproteins” PMID: 38682667.

 

H. Zheng et al., “PinMyMetal: A hybrid learning system to accurately model metal binding sites in macromolecules” PMID: 38463967.

 

M. Bochtler, “X-rays, electrons, and neutrons as probes of atomic matter” PMID: 38412856.

 

 

METHODS – XFEL, 3D-printed liquid sheet jet technology

 

M. Trebbin, “Thinner than a knife’s edge: 3D-printed liquid sheet jet technology for solution phase XFEL experiments” PMID: 37910141.

 

 

METHODS – Micro-ED, AlphaFold-Assisted

 

J.E. Miller et al., “AlphaFold-assisted structure determination of a bacterial protein of unknown function using X-ray and electron crystallography” PMID: 38451205.

 

 

METHODS – Cryo-EM

 

D. Bobe et al., “Multi-species cryoEM calibration and workflow verification standard” PMID: 39494502

 

C.L. Lawson et al., “Outcomes of the EMDataResource Cryo-EM Ligand Modeling Challenge” PMID: 38343795.

 

B. Greber et al., “High-resolution cryo-EM of the human CDK-activating kinase for structure-based drug design” PMID: 38480681.

 

G.J. Kleywegt, “Community recommendations on cryoEM data archiving and validation”  PMID: 38358351.

 

M. Kschonsak et al., “Cryo-EM reveals an unprecedented binding site for Nav1.7 inhibitors enabling rational design of potent hybrid inhibitors” PMID: 36975198.

 

 

METHODS – SAXS

 

K. Lytje and J.S. Pederson, “Validation of electron-microscopy maps using solution small-angle X-ray scattering” PMID: 38935344.

 

 

METHODS – NMR and Ligand Screening

 

M. Bütikofer et al., “Rapid Protein-Ligand Affinity Determination by Photoinduced Hyperpolarized NMR” PMID: 38957136.

 

 

METHODS – AlphaFold

 

A.M. Lau et al., “Exploring structural diversity across the protein universe with The Encyclopedia of Domains” PMID: 39480926.

 

J. Abramson et al., “Accurate structure prediction of biomolecular interactions with AlphaFold 3” PMID: 38718835.

 

 

READINGS & TUTORIALS – General Structural Biology

 

L.C. Schofield et al., “Post-translational modifications in the Protein Data Bank” PMID: 39207896.

 

 

READINGS & TUTORIALS – Macromolecular Crystallography

 

K.L. Shelley and E.F. Garman, “Identifying and avoiding radiation damage in macromolecular crystallography” PMID: 38700059.

 

G. Khusainov et al., “The time revolution in macromolecular crystallography” PMID: 38616866.

 

J.R. Helliwell et al., “The evolution of raw data archiving and the growth of its importance in crystallography” PMID: 38864497.

 

D.J. Haas, “Fifty years on: why macromolecular cryocrystallography has been so successful” IUCr Newsletter (2023) 31(3).

 

W.A. Hendrickson, “Facing the phase problem” PMID: 37668214.

 

 

READINGS & TUTORIALS – Cryo-EM

 

G.C. Lander, “Single particle cryo-EM map and model validation: It's not crystal clear” PMID: 39293191.

 

E. Nogales & J. Mahamid, “Bridging structural and cell biology with cryo-electron microscopy” PMID: 38570716.

 

 

READINGS & TUTORIALS – Serial Crystallography

 

A. Henkel and D. Oberthur, “A snapshot love story: what serial crystallography has done for us” PMID: 38984902.

 

READINGS & TUTORIALS – MicroED

 

A. Haymaker & B.L. Nannenga, “Advances and applications of microcrystal electron diffraction (MicroED)” PMID: 10882645.

 

READINGS & TUTORIALS – AlphaFold/AI

 

E. Callaway, “Chemistry Nobel goes to developers of AlphaFold AI that predicts protein structures” PMID: 39384918.

 

E. Callaway, “The huge protein database that spawned AlphaFold and biology's AI revolution” PMID: 39424937.

 

S. Subramaniam, “Structural biology in the age of AI” PMID: 38066345.

 

 

DATABASES – Structural Biology


AlphaFold DB, BioCyc, DisProt, ExPASy, HAD, HIC-Up, NDB, PDB, PDBe, PDB SARS-CoV-2 Resources, SARS-CoV-2 Related Structures, RaMP-DB, virusMED, 

 

 

UPCOMING MEETINGS, CONFERENCES, & WORKSHOPS

 

Biophysical Society National Meeting, February 15-19, 2025

Los Angeles, CA

Early Registration Deadline:  January 7, 2025

 

Cold Spring Harbor Laboratory Cryo-Electron Microscopy Course, March 5-19, 2025

Cold Spring Harbor, NY

Application Deadline: January 6, 2025

 

2025 RNA Biology Symposium, April 3-4, 2025

Natcher, NIH Campus, Bethesda, MD

 

75th ACA Annual Meeting, July 18-23, 2025

Lombard, IL

 

Microscopy Society of America Annual Meeting, July 27-31, 2025

Salt Lake City, UT

 

Cold Spring Harbor Laboratory Macromolecular Crystallography Course, October 12-28, 2025

Cold Spring Harbor, NY

Application Deadline: July 15, 2025