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

Last updated: 2021-10-19

All entries: 14883

Number of unique PDB entries: 2934



  ├ Papain like protease(118)

  ├ Main protease(397)

  ├ ADP ribose phosphatase(20)

  ├ RNA dependent RNA polymerase(21)

  ├ Endoribonuclease(18)

  ├ 2'-O-ribose methyltransferase(7)

  ├ Spike protein(107)

  ├ Nucleocapsid protein(17)

  └ Helicase(61)

  └ Other SARS-CoV-2(26)

X-ray All Entries(3630)

  ├ Kinase: p38(188)

  ├ Kinase: Aurora(46)

  ├ Kinase: CHK1(43)

  ├ Nuclear receptor: ERa(60)

  ├ Nuclear receptor: ERb(77)

  ├ GPCR(24)

  └ ApoStructure(2579)

NMR All Entries(104)

  └ TrpCage(76)

MD All Entries(11081)

  └ TrpCage(991)

ElectronMicroscopy All Entries(51)

Search Sample

Keyword Search: COVID-19

PDB ID Search: 1ERE

FMODB ID Search: 5P4NP

UniProt ID Search: P03372

Keyword Search(Target): Estrogen receptor alpha

Keyword Search(Ligand): NHI

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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