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Conformational ensembles of the magnesium channel CorA reveal structural basis for channel gating | PNAS In prokaryotes, CorA is the primary influx pathway for magnesium, a critical divalent cation in cellular physiology and biochemistry. Mechanistic s...

SBGrid's eLife paper received a citation in February from Anthony Kossiakoff from The University of Chicago in @pnas.org : Conformational ensembles of the magnesium channel CorA reveal structural basis for channel gating.

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GitHub - vosslab/vossvolvox: This repository provides C++17 command-line tools for analyzing molecular structures by computing volumes, channels, cavities, and tunnel geometry from PDB, mmCIF, PDBML, or XYZR inputs. It is intended for researchers in structural biology and molecular biophysics who need reproducible grid-based analyses. This repository provides C++17 command-line tools for analyzing molecular structures by computing volumes, channels, cavities, and tunnel geometry from PDB, mmCIF, PDBML, or XYZR inputs. It is inte...

New Title Alert: vossvolvox- a C++17 command-line tools for analyzing molecular structures, specifically for computing volumes, channels, cavities, and tunnel geometry from various molecular input formats.

Learn more here: buff.ly/0ff33pF

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Bacterial immune activation via supramolecular assembly with phage triggers - Nature An antiphage defence system has an activation mechanism that relies on the sensing of phage-encoded proteins that enforce geometry crucial to activation and are not typically present in non-infected…

SBGrid's eLife paper received a citation in February from Alireza Ghanbarpour from Washington University School of Medicine in St. Louis, in @Nature: Bacterial immune activation via supramolecular assembly with phage triggers.

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Structural ontogeny of protein-protein interactions

SBGrid's eLife paper received a citation in February from Christopher Garcia from @stanforduniversity.bsky.social School of Medicine in @science.org: Structural ontogeny of protein-protein interactions.

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SBGrid's eLife paper received a citation in February from Eric Fischer from @danafarber.bsky.social in @natchembio.nature.com

High-throughput ligand diversification to discover chemical inducers of proximity.

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Open Force Field
Open Force Field SBGrid webinars are hosted with partial support from the NIH R25 Continuing Education for Structural Biology Mentors #GM151273, in collaboration with Co-PI Jamaine Davis of Belmont University.…

In case you missed Joshua Mitchell webinar featuring Open Force Field Initiative, it is now available in our YouTube channel.

More here: buff.ly/6tzRrM8

#SBGrid #Webinars #ScienceMatters

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Hope for hard-to-treat heart disease A discovery in a Harvard lab is offering hope for patients with a type of heart disease with few approved therapies and high mortality rates.

Member News: SBGrid member Andrew Kruse, professor of biological chemistry & molecular pharmacology in the Blavatnik Institute at HMS is featured in The Harvard Gazette for his discovery offering hope for patients with hard-to-treat heart disease.

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Integrated fluorescence light microscopy-guided cryo-focused ion beam-milling for in situ montage cryo-ET - Nature Protocols A protocol for cryogenic 3D correlative focused ion beam milling using an integrated fluorescence light microscope and montage cryo-ET for nonadherent and adherent mammalian cells, as well as primary…

SBGrid's eLife paper received a citation in February from Elizabeth Wright from @uwmadison.bsky.social in @natprot.nature.com : Integrated fluorescence light microscopy-guided cryo-focused ion beam-milling for in situ montage cryo-ET.

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GitHub - manifoldbio/mber-open: mBER - Manifold Binder Engineering and Refinement. mBER enables antibody binder design by leveraging structure templates and sequence conditioning in backprop design through AlphaFold-Multimer. Preprint: https://www.biorxiv.org/content/10.1101/2025.09.26.678877v1 mBER - Manifold Binder Engineering and Refinement. mBER enables antibody binder design by leveraging structure templates and sequence conditioning in backprop design through AlphaFold-Multimer. Pre...

New Title Alert: mBER-open- is a protein design framework for antibody binder design that leverages structure templates and sequence conditioning in backpropagation-based design through AlphaFold-Multimer.

Learn more here: buff.ly/59LkTAm

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SBGrid's eLife paper received a citation in February from James Berger from @jhu.edu School of Medicine in @natcomms.nature.com : Supercoiled DNA recognition and cleavage control in topoisomerase VI.

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SBGrid's eLife paper received a citation in February from John Pascal from Université de Montréal (University of Montreal) in @natcomms.nature.com : PARP1-HPF1 structure and dynamics on nicked DNA suggest a mechanism for acute and localized ADP-ribosylation.

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easymode

New Title Alert: easymode- a collection of general pretrained networks for cellular cryoET.

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Introduction of the Capsules environment to support further growth of the SBGrid structural biology software collection - PubMed The expansive scientific software ecosystem, characterized by millions of titles across various platforms and formats, poses significant challenges in maintaining reproducibility and provenance in…

News Alert: We've updated SBGrid's primary citation to our 2024 Acta Crystallographica paper. We would be grateful if you could use this reference in future manuscripts, preprints, and related work where appropriate.

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#SBGrid #Citation

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SBGrid Consortium - Software Updates The SBGrid Consortium is an innovative global research computing group operated out of Harvard Medical School. SBGrid provides the global structural biology community with support for research…

Technical Notes: This month's software push includes updates to Ais, AlphaFold3, Boltzgen, Bowtie2, CellProfiler, ChimeraX, CryoMaskR, CryoSPARC-tools, Foldseek, IsoNet2, Protenix, RDKit, and upside2-md.

More here: buff.ly/SHUsfWz

#SBGrid #Software #StructuralBiology

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Webinars The SBGrid Consortium is an innovative global research computing group operated out of Harvard Medical School. SBGrid provides the global structural biology community with support for research…

Join our software webinar on March 10th to hear from Joshua Mitchell from the Open Molecular Software Foundation on Open Force Field Initiative. '

Tues, March 10, 2026 12:00PM ET
Josh Mitchell
Science Communicator, Open Force Field

Register here: buff.ly/YVCdTmr

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SBGrid's eLife paper received a citation in February from Woonghee Lee from University of Colorado Denver in Journal of Biological Chemistry: Modernizing Biomolecular NMR: the POKY Suite.

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How signals move through the brain This publication highlight is part of the SBGrid Communities Project focused on science education and demonstrating how structural biology…

Meharry Medical College student Mudiare Ikoba chose to highlight a publication in Nature Communications from the lab of Ed Twomey of The Johns Hopkins University School of Medicine: How signals move through the brain.

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#SBGrid #StructuralBiology

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Electric Bacteria: Biological “Power Cords” This publication highlight is part of the SBGrid Communities Project focused on science education and demonstrating how structural biology…

Fisk University student Cariuna Ellison's highlight features a paper from Fengbin (Jerry) Wang of University of Alabama at Birmingham that appeared in Emerging Topics in Life Sciences: Electric Bacteria: Biological “Power Cords”

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SBGrid's eLife paper received a citation in January from Dhirendra Simanshu at Frederick National Laboratory for Cancer Research in @nature.com Communications

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SBGrid's eLife paper received a citation in January from @drennanlab.bsky.social at @mit.edu in @nature.com : A highly dynamic mononuclear non-heme iron enzyme for the two-step isonitrile biosynthesis.

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SBGrid's eLife paper received a citation in January from Jean-Philippe Julien at @sickkidsto.bsky.social in @Nature Magazine Communications: A stabilized tandem antigen chimera that elicits potent malaria transmission-reducing activity.

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GitHub - Kuhlman-Lab/ThermoMPNN: GNN trained to predict changes in thermodynamic stability for protein point mutants GNN trained to predict changes in thermodynamic stability for protein point mutants - Kuhlman-Lab/ThermoMPNN

New Title Alert: ThermoMPNN- is a graph neural network (GNN) designed to predict changes in stability for protein point mutants using transfer learning.

Learn more here: buff.ly/cXIXkW8

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Mechanistic insights into SteAB regulation of cell wall hydrolase RipA in Mycobacterium tuberculosis | mBio Peptidoglycan (PG) is a major component of the bacterial cell wall. A flexible but strong PG mesh encloses the cell, conferring mechanical resistance and preventing cell lysis. This PG mesh is…

SBGrid's eLife paper received a citation in January from @awehenkel.bsky.social , Pedro M. Alzari, and Ahmed Haouz from @pasteur.fr in ASM Journals: Mechanistic insights into SteAB regulation of cell wall hydrolase RipA in Mycobacterium tuberculosis.

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GitHub - CellArchLab/slabify-et: A CLI tool to segment the lamella slab in cryo-ET volumes A CLI tool to segment the lamella slab in cryo-ET volumes - CellArchLab/slabify-et

New Title Alert: Slabify- is a command-line tool designed for the automatic segmentation of lamella slabs in cryo-electron tomography (cryo-ET) volumes.

Learn more here: buff.ly/fVsKsOS

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magCalEM magCalEM software homepage

New Title Alert: MagCalEM- Accurate magnification determination for cryoEM determining the correct magnified pixel size of single-particle cryoEM micrographs is necessary to maximise resolution and enable accurate model building.

Learn more here: buff.ly/vuCrtWR

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GitHub - polizzilab/LASErMPNN: All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing GNN All-Atom (Including Hydrogen!) Ligand-Conditioned Protein Sequence Design & Sidechain Packing GNN - polizzilab/LASErMPNN

New Title Alert: LASErMPNN- is an all-atom ligand-conditioned protein sequence design and sidechain packing model that accounts for the presence of small molecules, including hydrogens.

Learn more here: buff.ly/cZcOmpC

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Synergistic Action of Crystallophore and Imaging‐Crystallophore Enhances the Production and Imaging of Protein Crystals The Imaging-crystallophore (Im-Xo4), a Tb(III) complex substituted by π-conjugated antennas emits in the green and accumulates in the protein crystals, enabling an easy crystal detection using…

SBGrid's eLife paper received a citation in January from Eric Girard at IBS Grenoble in @angewandtechemie.bsky.social: Action of Crystallophore and Imaging-Crystallophore Enhances the Production and Imaging of Protein Crystals.

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GitHub - IsoNet-cryoET/IsoNet2: IsoNet at higher resolution IsoNet at higher resolution. Contribute to IsoNet-cryoET/IsoNet2 development by creating an account on GitHub.

New Title Alert: IsoNet2- a deep-learning software package for simultaneous missing wedge correction, denoising, and CTF correction in cryo-electron tomography reconstructions using a deep neural network trained on information from the original tomogram(s).

Learn more here: buff.ly/2ZlZInD

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GitHub - oxpig/ImmuneBuilder: Predict the structure of immune receptor proteins Predict the structure of immune receptor proteins. Contribute to oxpig/ImmuneBuilder development by creating an account on GitHub.

New Title Alert: ImmuneBuilder- is a high-performance deep learning framework developed by the Oxford Protein Informatics Group (OPIG) specifically for predicting the 3D structures of immune receptor proteins.

Learn more here: buff.ly/wCaRFLp

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foundry 0.1.7 documentation General

New Title Alert: Foundry- is a unified framework for protein design that provides tooling and infrastructure for using and training models.

Learn more here: buff.ly/2TdjDOE

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