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Structural basis of the activation of a metabotropic GABA receptor. Shaye H, Ishchenko A et al. Nature. 2020 Aug 13;584(7820):298–303.

Structure of human GABAB receptor in an inactive state. Park J, Fu Z et al. Nature. 2020 Aug 13;584(7820):304-309.

In-cell architecture of an actively transcribing-translating expressome. O'Reilly FJ, Xue L et al. Science. 2020 Jul 31;369(6503):554-557.

Structural insights into differences in G protein activation by family A and family B GPCRs. Hilger D, Kumar KK et al. Science. 2020 Jul 31;369(6503). pii: eaba3373.

Pre-initiation and elongation structures of full-length La Crosse virus polymerase reveal functionally important conformational changes. Arragain B, Effantin G et al. Nat Commun. 2020 Jul 17;11(1):3590.

See also: RCSB PDB Images
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News

June 11, 2020

The ChimeraX 1.0 production release is available! See the change log for what it contains.

May 8, 2020

We have joined the Twitterverse! – @UCSFChimeraX

May 6, 2020

The ChimeraX 1.0 release candidate is available! Please try it and report any issues. See the change log for what's new.

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UCSF ChimeraX

UCSF ChimeraX (or simply ChimeraX) is the next-generation molecular visualization program from the Resource for Biocomputing, Visualization, and Informatics (RBVI), following UCSF Chimera. ChimeraX can be downloaded free of charge for academic, government, nonprofit, and personal use. Commercial users, please see licensing.

ChimeraX is developed with support from National Institutes of Health R01-GM129325 and the Office of Cyber Infrastructure and Computational Biology, National Institute of Allergy and Infectious Diseases.

Feature Highlight

heterodimer modeling screenshot

Multichain Comparative Modeling

Modeller Comparative is an interface to Modeller for comparative (“homology”) modeling of proteins and protein complexes.

The example shows modeling the human (shades of blue) from the mouse (brown and tan) complex of programmed death-1 (PD-1) with its ligand PD-L2, PDB 3bp5.

Comparative modeling requires a template structure and a target-template sequence alignment for each unique chain. The sequences of human PD-1 and PD-L2 targets were fetched from UniProt and associated with the corresponding chains in the template structure, see model-pdl-setup.cxc. (Pairwise or multiple sequence alignments could have been used, but in this case, the template structure was simply associated with the target sequence.) Sequence-structure association shows mismatches in the Sequence Viewer: pink boxes for sequence differences between mouse and human, and gray outlines around the parts missing from the structure.

Three models were made with with default settings (other than the number of models), and the best-scoring model is shown. Two positions where sequence differences change the interfacial H-bonds are displayed.

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Example Image

transducin switch regions

G-Protein Switch Regions

The GDP- and GTP-bound conformations of the transducin α-subunit (1tag and 1tnd, respectively) differ primarily in three regions, termed switch 1, switch 2, and switch 3. The structures have been superimposed with matchmaker and shown as cartoons, with “empty” outlines where the structures are almost the same (for simplicity, only one conformation's outlines are shown). The GTP analog GTPγS is displayed as spheres color-coded by heteroatom. For 2D labels and image setup other than structure orientation, see the command file switch.cxc.

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