FMODB

FMODB: The database of quantum mechanical data based on the FMO method

Last updated: 2026-04-18

All entries: 88827

Number of unique PDB entries: 32070


Collaboration with PDBj logo

In order to expand the use of FMO data in the drug discovery and structural biology communities, we have started a collaboration between PDBj logo small (https://pdbj.org) and FMODB logo

(https://drugdesign.riken.jp/FMODB/) in FY2023, in cooperation with Prof. Genji Kurisu and Dr. Gert-Jan Bekker at Institute for Protein Research, Osaka University.

As a first step to improve data utilization convenience, we have placed mutual links by the related FMODB ID and PDB ID for each PDB and FMODB data on the HP to allow easy access to each other's data (Figure 1).
The FMODB dataset has been steadily accumulating year by year, including not only X-ray crystal structures but also other experimental structures registered in the PDB and molecular simulation structures such as MD snapshot data (Table 1, Figure 3).
Table 1 shows detailed figures on the number of entries, and Figure 3 detail analyses of the types of original structures.

Mutual Links between PDBj and FMODB

Improved data access through mutual links between PDBj and FMODB.

FMODB Data Growth (Figure 2)

Annual and cumulative growth of FMODB entries and unique PDB IDs.

FMODB Data Distribution by Structure Type (Figure 3)

Distribution of FMODB entries by the type of original structure.

FMODB Data Counts by Year (Table 1)

Annual counts of FMODB entries by structure type.

Acknowledgments

The developers of FMODB would like to thank Prof. Genji Kurisu and Dr. Gert-Jan Bekker of Institute for Protein Research, Osaka University for fruitful discussions and technical support of the collaboration with PDBj.