Title Covalent adduct Grob fragmentation underlies LSD1 demethylase-specific inhibitor mechanism of action and resistance. Journal, issue, pages Nat Commun , Vol. 16, Page 3156-3156, Year 2025Publish date Nov 15, 2022 (structure data deposition date) AuthorsWaterbury, A.L. / Caroli, J. / Zhang, O. / Tuttle, P.R. / Liu, C. / Li, J. / Park, J.S. / Hoenig, S.M. / Barone, M. / Furui, A. ...Waterbury, A.L. / Caroli, J. / Zhang, O. / Tuttle, P.R. / Liu, C. / Li, J. / Park, J.S. / Hoenig, S.M. / Barone, M. / Furui, A. / Mattevi, A. / Liau, B.B. External links Nat Commun / PubMed:40175327Methods X-ray diffraction Resolution 2.72 - 3.41 Å Structure data PDB-8bop : Structure viewer LSD1-CoREST in complex with AW4, long soakingMethod : X-RAY DIFFRACTION / Resolution : 2.74 Å
PDB-8box : Structure viewer LSD1-CoREST in complex with AW4 and SNAG peptideMethod : X-RAY DIFFRACTION / Resolution : 2.82 Å
PDB-8f2z : Structure viewer LSD1-CoREST in complex with AW2, short soakingMethod : X-RAY DIFFRACTION / Resolution : 3 Å
PDB-8f30 : Structure viewer LSD1-CoREST in complex with AW2, long soakingMethod : X-RAY DIFFRACTION / Resolution : 3.1 Å
PDB-8f59 : Structure viewer LSD1-CoREST in complex with AW2 and SNAG peptideMethod : X-RAY DIFFRACTION / Resolution : 2.8 Å
PDB-8f6s : Structure viewer LSD1-CoREST in complex with T105 Method : X-RAY DIFFRACTION / Resolution : 2.91 Å
PDB-8fdv : Structure viewer LSD1-CoREST in complex N-formyl FAD and SNAG peptideMethod : X-RAY DIFFRACTION / Resolution : 2.95 Å
PDB-8fj4 : Structure viewer LSD1-CoREST in complex with T108, short soakingMethod : X-RAY DIFFRACTION / Resolution : 2.76 Å
PDB-8fj7 : Structure viewer LSD1-CoREST in complex with T108 and SNAG peptideMethod : X-RAY DIFFRACTION / Resolution : 2.8 Å
PDB-8fqj : Structure viewer LSD1-CoREST in complex with T14, short soakingMethod : X-RAY DIFFRACTION / Resolution : 2.9 Å
PDB-8fri : Structure viewer LSD1-CoREST in complex with AW4, short soakingMethod : X-RAY DIFFRACTION / Resolution : 2.8 Å
PDB-8frq : Structure viewer LSD1-CoREST in complex with T14, long soakingMethod : X-RAY DIFFRACTION / Resolution : 2.89 Å
PDB-8frv : Structure viewer LSD1-CoREST in complex with T17, short soakingMethod : X-RAY DIFFRACTION / Resolution : 2.72 Å
PDB-8fsk : Structure viewer LSD1-CoREST in complex with T18, short soakingMethod : X-RAY DIFFRACTION / Resolution : 3.13 Å
PDB-8gj6 : Structure viewer LSD1-CoREST in complex with T16 Method : X-RAY DIFFRACTION / Resolution : 2.77 Å
PDB-8ul6 : Structure viewer LSD1-CoREST in complex with T16, long soakingMethod : X-RAY DIFFRACTION / Resolution : 2.74 Å
PDB-8ul8 : Structure viewer LSD1-CoREST in complex with T15, short soakingMethod : X-RAY DIFFRACTION / Resolution : 2.82 Å
PDB-8ulb : Structure viewer LSD1-CoREST in complex with T17, long soakingMethod : X-RAY DIFFRACTION / Resolution : 3.41 Å
PDB-8ulc : Structure viewer LSD1-CoREST in complex with T15, long soakingMethod : X-RAY DIFFRACTION / Resolution : 2.82 Å
PDB-8umq : Structure viewer LSD1-CoREST in complex with T18, long soakingMethod : X-RAY DIFFRACTION / Resolution : 3.26 Å
PDB-8uni : Structure viewer LSD1-CoREST with N-formyl-FAD in complex with H3K4M histone tailMethod : X-RAY DIFFRACTION / Resolution : 3.4 Å
PDB-8uom : Structure viewer LSD1-CoREST with N-formyl-FAD in complex with H3dimeK4 histone tailMethod : X-RAY DIFFRACTION / Resolution : 3.2 Å
PDB-9el7 : Structure viewer LSD1-CoREST in complex with T105 enantiomer (1R,2S) Method : X-RAY DIFFRACTION / Resolution : 2.87 Å
PDB-9el8 : Structure viewer LSD1-CoREST in complex with T105 1S2R enantiomer Method : X-RAY DIFFRACTION / Resolution : 2.91 Å
PDB-9ela : Structure viewer LSD1-CoREST in complex with T108, long soakingMethod : X-RAY DIFFRACTION / Resolution : 2.85 Å
Chemicals ChemComp-HUF : Structure viewer [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-methanoyl-7,8-dimethyl-2,4-bis(oxidanylidene)-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate
PDB-1bi4 : Structure viewer CATALYTIC DOMAIN OF HIV-1 INTEGRASE
Source homo sapiens (human) Keywords OXIDOREDUCTASE / demethylase / histone / splicing / epigenetics / Histone demethylase / Drug resistance / Covalent inhibitor / OXIDOREDUCTASE/INHIBITOR / OXIDOREDUCTASE-INHIBITOR complex