Newsletter 517 (July 1, 2024) NIH
X-ray Diffraction SIG
June 2024 PUBLICATIONS
BY MEMBERS OF THE GROUP
1: Schmidt T, Kubatova N, Clore GM.
J Am Chem Soc. 2024 Jun 18. doi:
10.1021/jacs.4c03916. Epub ahead of print.
PMID: 38888555.
2: Torricella F, Tugarinov V, Clore GM.
J PhysChem Lett. 2024 Jun
20;15(24):6375-6382. doi:
10.1021/acs.jpclett.4c01410. Epub 2024 Jun 10.
PMID: 38857530.
3: Avila YI, Rebolledo LP, Skelly
E, de Freitas Saito R, Wei H, Lilley D, Stanley RE, Hou
YM, Yang H, Sztuba-Solinska J, Chen SJ, Dokholyan NV, Tan C, Li SK, He X, Zhang X, Miles W, Franco
E, Binzel DW, Guo P, Afonin
KA.
Cracking the Code: Enhancing Molecular Tools
for Progress in Nanobiotechnology.
ACS Appl Bio Mater. 2024 Jun 17;7(6):3587-3604. doi: 10.1021/acsabm.4c00432. Epub
2024 Jun 4.
PMID: 38833534; PMCID: PMC11190997.
For timely listing, please send a heads-up E-mail to
the Editor upon
publication.
METHODS – Integrative Structural Biology
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
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.
READINGS & TUTORIALS – Macromolecular Crystallography
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
E. Nogales & J. Mahamid, “Bridging structural and cell
biology with cryo-electron microscopy” PMID: 38570716.
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,