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

Last updated: 2019-02-28

All entries: 2313

Number of unique PDB entries: 1009


X-ray All Entries(1246)

  ├ Kinase: p38(193)

  ├ Kinase: Aurora(47)

  ├ Kinase: CHK1(43)

  ├ Nuclear receptor: ERa(60)

  ├ Nuclear receptor: ERb(53)

  └ ApoStructure(728)

NMR All Entries(76)

  └ TrpCage(76)

MD All Entries(991)

  └ TrpCage(991)

Search Sample

PDB ID Search: 1ERE

FMODB ID Search: 5P4NP

UniProt ID Search: P03372

Keyword Search(Target): Estrogen receptor alpha

Keyword Search(Ligand): NHI

Keyword Search(Ligand:DrugName): Diethylstilbestrol

Keyword Search(Ligand:CAS Number): 56-53-1

Blast Search: Sequence of 3RIN / E-Value Cutoff E-148

All of calculated data by FMO Drug Design (FMODD) Consortium are licensed under CC BY-SA 4.0.
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