|
2COM
The solution structure of the SWIRM domain of human LSD1
Deposited 2005-05-18
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
169–279(111 aa)
Fragment:SWIRM domain
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 7;296 K;Ionic strength (raw mmCIF value) 120mM;Pressure ambient
NMR sample composition
1.2mM SWIRM domain U-15N,13C; 20mM d-Tris HCl; 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 10% D2O | 90% H2O/10% D2O
|
Resolution not provided
|
|
2DW4
Crystal structure of human LSD1 at 2.3 A resolution
Deposited 2006-08-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–831(660 aa)
Fragment:residues 172-831
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;4% PEGMME 2000, 100mM HEPES-Na, 5% MPD, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.30 Å
R-free 0.226
|
|
2EJR
LSD1-tranylcypromine complex
Deposited 2007-03-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
Fragment:LSD1, residues 172-833
|
Not recorded
|
F2N [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;3.5-4% PEG 2000, 0.1M HEPES-Na, 5% MPD, 5mM Tranylcypromine, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.70 Å
R-free 0.245
|
|
2H94
Crystal Structure and Mechanism of human Lysine-Specific Demethylase-1
Deposited 2006-06-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–835(664 aa)
|
Not recorded
|
HG MERCURY (II) ION × 3
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;9 % PEG 3350
200 mM Diammonium tartrate
100 mM HEPES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.90 Å
R-free 0.281
|
|
2HKO
Crystal structure of LSD1
Deposited 2006-07-05
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–835(664 aa)
|
Mutation:R594Q
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.3;289 K;5% PEG 8K, 10 mM MgCl2, 150 mM NaCl, 50 mM Na2HPO4/KH2PO4 pH 6.33, 2mM DTT, VAPOR DIFFUSION, HANGING DROP, temperature 289K, pH 6.30
|
Resolution 2.80 Å
R-free 0.283
|
|
2IW5
Structural Basis for CoREST-Dependent Demethylation of Nucleosomes by the Human LSD1 Histone Demethylase
Deposited 2006-06-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
171–836(666 aa)
Fragment:SWIRM DOMAIN, AMINE OXIDASE DOMAIN AND LINKER, RESIDUES 171-836
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
CL CHLORIDE ION × 3
GOL GLYCEROL × 2
NH4 AMMONIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.6;293 K;VAPOR DIFFUSION, SITTING DROP, 20 DEGREES. DROP: 0.8 MICRO-LITERS OF PROTEIN (10 MG/ML IN 25 MM HEPES, PH 7.4, 200 MM SODIUM CHLORIDE, 1 MM PMSF, 5 MM DTT) PLUS 0.8 MICRO-LITERS OF CRYSTALLIZATION SOLUTION (0.8 M LITHIUM SULFATE, 0.8 M AMMONIUM SULFATE, 0.4 M SODIUM CHLORIDE, 0.1 M SODIUM CITRATE, PH 5.6, 10 MM DTT). RESERVOIR: 1 ML OF CRYSTALLIZATION SOLUTION. CRYSTALS APPEARED WITHIN 12 HOURS AND GREW TO THEIR FINAL SIZE WITHIN 10 DAYS. CRYO-PROTECTION SOLUTION: RESERVOIR SOLUTION PLUS 23 PERCENT (V/V) GLYCEROL.
|
Resolution 2.57 Å
R-free 0.212
|
|
2L3D
The solution structure of the short form SWIRM domain of LSD1
Deposited 2010-09-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
174–273(100 aa)
Fragment:SWIRM domain
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 6.5;298 K;Ionic strength (raw mmCIF value) 50;Pressure ambient
NMR sample composition
0.8mM [U-100% 13C; U-100% 15N] SWIRM-1, 50mM sodium phosphate-2, 50mM sodium chloride-3, 2mM DTT-4, 1mM EDTA-5, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.8mM SWIRM-6, 50mM sodium phosphate-7, 50mM sodium chloride-8, 2mM DTT-9, 1mM EDTA-10, 100% D2O | 100% D2O
|
Resolution not provided
|
|
2UXN
Structural Basis of Histone Demethylation by LSD1 Revealed by Suicide Inactivation
Deposited 2007-03-28
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
171–836(666 aa)
Fragment:SWIRM DOMAIN, AMINE OXIDASE DOMAIN AND LINKER, RESIDUES 171-836
|
Not recorded
|
FDA DIHYDROFLAVINE-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 1
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.6;PROTEIN: 25 MM HEPES, PH 7.4, 200 MM SODIUM CHLORIDE, 1 MM PMSF, AND 5 MM DTT RESERVOIR: 0.8 M LITHIUM SULFATE, 0.8 M AMMONIUM SULFATE, 0.4 M SODIUM CHLORIDE, 0.1 M SODIUM CITRATE, PH 5.6, AND 10 MM DTT
|
Resolution 2.72 Å
R-free 0.272
|
|
2UXX
Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct
Deposited 2007-03-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
171–836(666 aa)
Fragment:SWIRM DOMAIN, AMINE OXIDASE DOMAIN AND LINKER, RESIDUES 171-836
|
Not recorded
|
FAJ FAD-trans-2-Phenylcyclopropylamine Adduct × 1
GOL GLYCEROL × 2
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.6;293 K;VAPOR DIFFUSION, SITTING DROP, 20 DEGREES. DROP: 0.8 MICRO-LITERS OF PROTEIN (10 MG/ML IN 25 MM HEPES, PH 7.4, 200 MM SODIUM CHLORIDE, 1 MM PMSF, 5 MM DTT) PLUS 0.8 MICRO-LITERS OF CRYSTALLIZATION SOLUTION (0.8 M LITHIUM SULFATE, 0.8 M AMMONIUM SULFATE, 0.4 M SODIUM CHLORIDE, 0.1 M SODIUM CITRATE, PH 5.6, 10 MM DTT). RESERVOIR: 1 ML OF CRYSTALLIZATION SOLUTION. CRYSTALS APPEARED WITHIN 12 HOURS AND GREW TO THEIR FINAL SIZE WITHIN 10 DAYS. CRYO-PROTECTION SOLUTION: RESERVOIR SOLUTION PLUS 23 PERCENT (V/V) GLYCEROL.
|
Resolution 2.74 Å
R-free 0.260
|
|
2V1D
Structural basis of LSD1-CoREST selectivity in histone H3 recognition
Deposited 2007-05-23
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
123–852(730 aa)
Fragment:RESIDUES 123-852
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 3.10 Å
R-free 0.239
|
|
2X0L
Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1.
Deposited 2009-12-15
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 3.00 Å
R-free 0.252
|
|
2XAF
Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine
Deposited 2010-03-31
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
TCF 3-(4-BROMOPHENYL)PROPANAMIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
SODIUM/POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
Resolution 3.25 Å
R-free 0.229
|
|
2XAG
Crystal structure of LSD1-CoREST in complex with para-bromo-(-)-trans- 2-phenylcyclopropyl-1-amine
Deposited 2010-03-31
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
TCF 3-(4-BROMOPHENYL)PROPANAMIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
Resolution 3.10 Å
R-free 0.245
|
|
2XAH
Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine
Deposited 2010-03-31
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
3PL 3-PHENYLPROPANAL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
Resolution 3.10 Å
R-free 0.228
|
|
2XAJ
Crystal structure of LSD1-CoREST in complex with (-)-trans-2- phenylcyclopropyl-1-amine
Deposited 2010-03-31
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
TCA PHENYLETHYLENECARBOXYLIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
Resolution 3.30 Å
R-free 0.227
|
|
2XAQ
Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2584, 13b)
Deposited 2010-03-31
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
M84 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
Resolution 3.20 Å
R-free 0.264
|
|
2XAS
Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e)
Deposited 2010-03-31
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
M80 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
Resolution 3.20 Å
R-free 0.220
|
|
2Y48
Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide
Deposited 2011-01-05
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
123–852(730 aa)
Fragment:RESIDUES 123-852
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
1.2 M SODIUM/POTASSIUM TARTRATE, 100 MM ADA BUFFER PH 6.5
|
Resolution 3.00 Å
R-free 0.246
|
|
2Z3Y
Crystal structure of Lysine-specific demethylase1
Deposited 2007-06-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
Fragment:LSD1, residues 172-833
|
Not recorded
|
F2N [(2R,3S,4R,5R)-5-(6-AMINO-9H-PURIN-9-YL)-3,4-DIHYDROXYTETRAHYDROFURAN-2-YL]METHYL (2R,3S,4S)-5-[7,8-DIMETHYL-2,4-DIOXO-5-(3-PHENYLPROPANOYL)-1,3,4,5-TETRAHYDROBENZO[G]PTERIDIN-10(2H)-YL]-2,3,4-TRIHYDROXYPENTYL DIHYDROGEN DIPHOSPHATE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;0.1mM Hepes-Na, 5% MPD, 3-4.5% PEG monomethylether 2000, 1mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.25 Å
R-free 0.255
|
|
2Z5U
Crystal structure of Lysine-specific histone demethylase 1
Deposited 2007-07-17
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
Fragment:LSD1, residues 172-833
|
Not recorded
|
FAJ FAD-trans-2-Phenylcyclopropylamine Adduct × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;277 K;0.1mM Hepes-Na, 5% MPD, 3-4.5% PEG monomethylether 2000, 1mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277.0K
|
Resolution 2.25 Å
R-free 0.254
|
|
3ABT
Crystal Structure of LSD1 in complex with trans-2-pentafluorophenylcyclopropylamine
Deposited 2009-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
Fragment:amine oxidase (flavin containing) domain 2, residues 172-833
|
Not recorded
|
2PF [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-(pentafluorophenyl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;278 K;3-10% PEG 2000 Monomethyl ether, 0.1M Hepes pH 7.5, 0.2M magnesium chloride, 0.1M cacodylate, 5mM Tranylcypromine-derivative, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 3.20 Å
R-free 0.272
|
|
3ABU
Crystal Structure of LSD1 in complex with a 2-PCPA derivative, S1201
Deposited 2009-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
Fragment:amine oxidase (flavin containing) domain 2, residues 172-833
|
Not recorded
|
12F [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3R,3aS)-3-[2-(benzyloxy)-3-fluorophenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.5;278 K;3-10% PEG 2000 Monomethyl ether, 0.1M Hepes pH 7.5, 0.2M magnesium chloride, 0.1M cacodylate, 5mM Tranylcypromine-derivative, VAPOR DIFFUSION, HANGING DROP, temperature 278K
|
Resolution 3.10 Å
R-free 0.295
|
|
3ZMS
LSD1-CoREST in complex with INSM1 peptide
Deposited 2013-02-12
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 2.96 Å
R-free 0.227
|
|
3ZMT
LSD1-CoREST in complex with PRSFLV peptide
Deposited 2013-02-12
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 3.10 Å
R-free 0.230
|
|
3ZMU
LSD1-CoREST in complex with PKSFLV peptide
Deposited 2013-02-12
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 3.20 Å
R-free 0.226
|
|
3ZMV
LSD1-CoREST in complex with PLSFLV peptide
Deposited 2013-02-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain A
1–876(876 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 3.00 Å
R-free 0.258
|
|
3ZMZ
LSD1-CoREST in complex with PRSFAV peptide
Deposited 2013-02-13
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 3.00 Å
R-free 0.227
|
|
3ZN0
LSD1-CoREST in complex with PRSFAA peptide
Deposited 2013-02-13
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 2.80 Å
R-free 0.244
|
|
3ZN1
LSD1-CoREST in complex with PRLYLV peptide
Deposited 2013-02-13
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 3.10 Å
R-free 0.230
|
|
4BAY
Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST
Deposited 2012-09-17
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
192–876(685 aa)
Fragment:RESIDUES 192-876
|
Mutation:YES
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;20DEG BY HANGING-DROP VAPOR DIFFUSION METHOD BY MIXING EQUAL VOLUMES OF PROTEIN SAMPLES WITH RESERVOIR SOLUTIONS CONTAINING 1.2 M SODIUM/POTASSIUM TARTRATE AND 100 MM N-(2-ACETAMIDO)IMINODIACETIC ACID, PH 6.5
|
Resolution 3.10 Å
R-free 0.226
|
|
4CZZ
Histone demethylase LSD1(KDM1A)-CoREST3 Complex
Deposited 2014-04-23
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 3.00 Å
R-free 0.236
|
|
4KUM
Structure of LSD1-CoREST-Tetrahydrofolate complex
Deposited 2013-05-22
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
171–836(666 aa)
Fragment:SWIRM andFAD binding domains, residues 171-836
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 1
THG (6S)-5,6,7,8-TETRAHYDROFOLATE × 1
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.6;293 K;0.60 M Li2SO4, 0.63 M (NH4)2SO4, 0.25 M NaCl, 100 mM Na-citrate, pH 5.6, 10 mM DTT, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 3.05 Å
R-free 0.217
|
|
4UV8
LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine
Deposited 2014-08-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
D69 [[(2R,3S,4S)-5-[(4aS,10aS)-4a-[(1S)-3-azanylidene-1,4-diphenyl-butyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-5,10a-dihydro-1H-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentoxy]-oxidanyl-phosphoryl] [(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 2.80 Å
R-free 0.237
|
|
4UV9
LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine
Deposited 2014-08-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
D70 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS,10aS)-4a-[(1S,3E)-3-imino-1-phenylpentyl]-7,8-dimethyl-2,4-dioxo-1,3,4,4a,5,10a-hexahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;PH 6.5
|
Resolution 3.00 Å
R-free 0.246
|
|
4UVA
LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S)
Deposited 2014-08-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
D73 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(4aS)-4a-[(1S,3E)-3-imino-1-phenylbutyl]-7,8-dimethyl-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]pentyl dihydrogen diphosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;PH 6.5
|
Resolution 2.90 Å
R-free 0.232
|
|
4UVB
LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R)
Deposited 2014-08-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
D51 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,7aS)-1-amino-1,10,11-trimethyl-4,6-dioxo-3-phenyl-2,3,5,6,7,7a-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 2.80 Å
R-free 0.236
|
|
4UVC
LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine
Deposited 2014-08-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–876(876 aa)
|
Not recorded
|
D52 [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2R,3S,4S)-5-[5-[(1S)-1-azanyl-1,3-diphenyl-propyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4aH-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;pH 6.5
|
Resolution 3.10 Å
R-free 0.241
|
|
4UXN
LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580
Deposited 2014-08-27
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
M8A benzyl (2R)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5;PH 6.5
|
Resolution 2.85 Å
R-free 0.215
|
|
4XBF
Structure of LSD1:CoREST in complex with ssRNA
Deposited 2014-12-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–RNA
Heteromer;Protein × 8
PDB declaration: dodecameric
|
Chain A
171–836(666 aa)
Fragment:UNP residues 171-836
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 4
SO4 SULFATE ION × 20
GOL GLYCEROL × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.6;290 K;The LSD1-CoREST complex 10-12 mg/ml concentration (in 25 mM HEPES-Na, pH 7.4, 100 mM NaCl, 5 mM DTT, 1 mM PMSF) was mixed (1:1) with the reservoir solution [0.60 M Li2SO4, 0.63 M (NH4)2SO4, 0.25 M NaCl, 100 mM Na-citrate, pH 5.6, 10 mM DTT]
|
Resolution 2.80 Å
R-free 0.227
|
|
5AFW
Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation
Deposited 2015-01-26
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
108–119(12 aa)
Fragment:RESIDUES 108-119
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
EDO 1,2-ETHANEDIOL × 9
CL CHLORIDE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1 M HEPES PH 7.5, 0.2 M L-PROLINE, 10% (W/V) PEG3350
|
Resolution 1.60 Å
R-free 0.227
|
|
5H6Q
Crystal structure of LSD1-CoREST in complex with peptide 11
Deposited 2016-11-14
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
172–833(662 aa)
Fragment:UNP RESIDUES 172-833
|
Not recorded
|
GOL GLYCEROL × 4
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M N-(2-Acetamido) iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate.
|
Resolution 2.53 Å
R-free 0.247
|
|
5H6R
Crystal structure of LSD1-CoREST in complex with peptide 13
Deposited 2016-11-14
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
172–833(662 aa)
Fragment:UNP RESIDUES 172-833
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.5;293 K;0.1 M N-(2-Acetamido) iminodiacetic acid (pH 5.5), 1.23 M potassium sodium tartrate tetrahydrate
|
Resolution 2.60 Å
R-free 0.231
|
|
5IT3
Swirm domain of human Lsd1
Deposited 2016-03-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
183–267(85 aa)
Fragment:Swirm domain, UNP residues 183-267
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION;pH 8.5;293 K;0.1 M MgCl2, 0.1 M Tris, 25%(w/v) PEG 3350
|
Resolution 1.40 Å
R-free 0.194
|
|
5IT3
Swirm domain of human Lsd1
Deposited 2016-03-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain B
183–267(85 aa)
Fragment:Swirm domain, UNP residues 183-267
|
Not recorded
|
MG MAGNESIUM ION × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION;pH 8.5;293 K;0.1 M MgCl2, 0.1 M Tris, 25%(w/v) PEG 3350
|
Resolution 1.40 Å
R-free 0.194
|
|
5L3B
Human LSD1/CoREST: LSD1 D556G mutation
Deposited 2016-04-06
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Mutation:D556G
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;Tartrate 1-1.4 M, ADA 100 mM pH 6.5
|
Resolution 3.30 Å
R-free 0.208
|
|
5L3C
Human LSD1/CoREST: LSD1 E379K mutation
Deposited 2016-04-06
|
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Mutation:E379K
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;Tartrate 1-1.4 M, ADA 100 mM pH 6.5
|
Resolution 3.31 Å
R-free 0.223
|
|
5L3D
Human LSD1/CoREST: LSD1 Y761H mutation
Deposited 2016-04-06
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.6;298 K;Tartrate 1-1.4 M, ADA 100 mM pH 5.6
|
Resolution 2.60 Å
R-free 0.219
|
|
5L3E
LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor
Deposited 2016-04-10
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
E11 N~4~-(1-benzylpiperidin-4-yl)-N~2~-[3-(dimethylamino)propyl]-6,7-dimethoxyquinazoline-2,4-diamine × 5
NA SODIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.3 M Na/K Tartrate, 100 mM ADA
|
Resolution 2.80 Å
R-free 0.224
|
|
5L3F
LSD1-CoREST1 in complex with polymyxin B
Deposited 2016-04-10
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.3 M Na/K Tartrate
100 mM ADA
|
Resolution 3.50 Å
R-free 0.210
|
|
5L3G
LSD1-CoREST1 in complex with polymyxin E (colistin)
Deposited 2016-04-10
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
NA SODIUM ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.3 M Na/K Tartrate
100 mM ADA
|
Resolution 3.10 Å
R-free 0.197
|
|
5LBQ
LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor
Deposited 2016-06-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
767 N2-(3-(dimethylamino)propyl)-6,7-dimethoxy-N4,N4-dimethylquinazoline-2,4-diamine × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;100 mM ADA pH 6.5
1.2 M Na/Ka Tartrate
|
Resolution 3.30 Å
R-free 0.250
|
|
5LGN
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 19
Deposited 2016-07-07
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
192–860(669 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
6W0 ~{N}-[3-(methoxymethyl)phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 5.6;297 K;Sodium Tartrate 1.2 M as precipitant in Sodium Citrate buffer pH 5.6
|
Resolution 3.20 Å
R-free 0.220
|
|
5LGT
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 15
Deposited 2016-07-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
6W3 4-methyl-~{N}-[2-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 6.5;293 K;Hanging-drop vapor diffusion method at 20 C by mixing equal volumes of 100 microM LSD1-CoREST solution in 5% (w/v) glycerol, 25 mm potassium phosphate, pH 7.2, with reservoir solutions containing 1.2 M sodium/potassium tartrate and 100 mmN-(2-acetamido)-2-iminodiacetic acid, pH 6.5.
|
Resolution 3.00 Å
R-free 0.230
|
|
5LGU
Thieno[3,2-b]pyrrole-5-carboxamides as Novel Reversible Inhibitors of Histone Lysine Demethylase KDM1A/LSD1: Compound 34
Deposited 2016-07-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
6W1 4-methyl-~{N}-[2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 6.5;293 K;The hanging-drop vapor diffusion method at 20 C by mixing equal volumes of 100 microM LSD1-CoREST solution in 5% (w/v) glycerol, 25 mm potassium phosphate, pH 7.2, with reservoir solutions containing 1.2 M sodium/potassium tartrate and 100 mmN-(2-acetamido)-2-iminodiacetic acid, pH 6.5.
|
Resolution 3.20 Å
R-free 0.206
|
|
5LHG
Structure of the KDM1A/CoREST complex with the inhibitor 4-methyl-N-[4-[[4-(1-methylpiperidin-4-yl)oxyphenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Deposited 2016-07-11
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 4
6X3 4-methyl-N-[4-[[4-[(1-methyl-4-piperidyl)oxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;1.1-1.2 M Na/K tartrate
0.1 M ADA pH 6.0
|
Resolution 3.34 Å
R-free 0.192
|
|
5LHH
Structure of the KDM1A/CoREST complex with the inhibitor 4-ethyl-N-[3-(methoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide
Deposited 2016-07-11
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 6
6X0 4-ethyl-~{N}-[3-(methoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]thieno[3,2-b]pyrrole-5-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;1.1-1.2 M Na/K tartrate
0.1 M ADA pH 6.0
|
Resolution 3.05 Å
R-free 0.186
|
|
5LHI
Structure of the KDM1A/CoREST complex with the inhibitor N-[3-(ethoxymethyl)-2-[[4-[[(3R)-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methylthieno[3,2-b]pyrrole-5-carboxamide
Deposited 2016-07-12
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
6X5 ~{N}-[3-(ethoxymethyl)-2-[[4-[[(3~{R})-pyrrolidin-3-yl]methoxy]phenoxy]methyl]phenyl]-4-methyl-thieno[3,2-b]pyrrole-5-carboxamide × 1
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;1.1-1.2 M Na/K tartrate
0.1 M ADA pH 6.0
|
Resolution 3.40 Å
R-free 0.225
|
|
5X60
Crystal structure of LSD1-CoREST in complex with peptide 9
Deposited 2017-02-20
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
172–833(662 aa)
Fragment:UNP RESIDUES 172-833
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M N-(2-acetamido)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate.
|
Resolution 2.69 Å
R-free 0.236
|
|
5YJB
LSD1-CoREST in complex with 4-[5-(piperidin-4-ylmethoxy)-2-(p-tolyl)pyridin-3-yl]benzonitrile
Deposited 2017-10-10
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
172–833(662 aa)
Fragment:UNP residues 172-833
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
8WC 4-[2-(4-methylphenyl)-5-(piperidin-4-ylmethoxy)pyridin-3-yl]benzenecarbonitrile × 1
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M N-(2-ACETAMIDO)IMINODIACETIC ACID (PH 5.5), 1.23M POTASSIUM SODIUM TARTRATE TETRAHYDRATE
|
Resolution 2.96 Å
R-free 0.219
|
|
6E1F
Crystal structure of the SWIRM domain of human histone lysine-specific demethylase LSD1
Deposited 2018-07-09
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
183–267(85 aa)
Fragment:SWIRM domain (UNP residues 183-267)
|
Not recorded
|
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M Bis-Tris, pH 6.5, 0.1 M potassium chloride, 1.5 M ammonium sulfate
|
Resolution 1.16 Å
R-free 0.169
|
|
6E1F
Crystal structure of the SWIRM domain of human histone lysine-specific demethylase LSD1
Deposited 2018-07-09
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
183–267(85 aa)
Fragment:SWIRM domain (UNP residues 183-267)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M Bis-Tris, pH 6.5, 0.1 M potassium chloride, 1.5 M ammonium sulfate
|
Resolution 1.16 Å
R-free 0.169
|
|
6E1F
Crystal structure of the SWIRM domain of human histone lysine-specific demethylase LSD1
Deposited 2018-07-09
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
183–267(85 aa)
Fragment:SWIRM domain (UNP residues 183-267)
|
Not recorded
|
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M Bis-Tris, pH 6.5, 0.1 M potassium chloride, 1.5 M ammonium sulfate
|
Resolution 1.16 Å
R-free 0.169
|
|
6E1F
Crystal structure of the SWIRM domain of human histone lysine-specific demethylase LSD1
Deposited 2018-07-09
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
183–267(85 aa)
Fragment:SWIRM domain (UNP residues 183-267)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M Bis-Tris, pH 6.5, 0.1 M potassium chloride, 1.5 M ammonium sulfate
|
Resolution 1.16 Å
R-free 0.169
|
|
6K3E
LSD1/Co-Rest structure with an inhibitor
Deposited 2019-05-17
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
CW0 piperidin-4-ylmethyl 4-fluoranyl-4-[[[(1~{R},2~{S})-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate × 1
DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1
ACT ACETATE ION × 2
MLA MALONIC ACID × 3
GOL GLYCEROL × 4
D3U 2-PCPA derivative × 1
EDO 1,2-ETHANEDIOL × 12
PEG DI(HYDROXYETHYL)ETHER × 3
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;36% Tacsimate
|
Resolution 2.87 Å
R-free 0.223
|
|
6KGK
LSD1-CoREST-S2101 five-membered ring adduct model
Deposited 2019-07-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 3
DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.23 M potassium sodium tartrate
|
Resolution 2.70 Å
R-free 0.206
|
|
6KGL
LSD1-CoREST-S2101 N5 adduct model
Deposited 2019-07-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 3
DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.28 M potassium sodium tartrate
|
Resolution 2.70 Å
R-free 0.205
|
|
6KGM
LSD1-CoREST-S2116 five-membered ring adduct model
Deposited 2019-07-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 5
DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.28 M potassium sodium tartrate
|
Resolution 2.62 Å
R-free 0.195
|
|
6KGN
LSD1-CoREST-S2116 N5 adduct model
Deposited 2019-07-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 5
DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.28 M potassium sodium tartrate
|
Resolution 2.62 Å
R-free 0.194
|
|
6KGO
LSD1-S2157 five-membered ring adduct model
Deposited 2019-07-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 6
TLA L(+)-TARTARIC ACID × 1
DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10% PEG3350
|
Resolution 2.25 Å
R-free 0.204
|
|
6KGP
LSD1-S2157 N5 adduct model
Deposited 2019-07-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 6
TLA L(+)-TARTARIC ACID × 1
DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10% PEG3350
|
Resolution 2.25 Å
R-free 0.204
|
|
6KGQ
LSD1-FCPA-MPE five-membered ring adduct model
Deposited 2019-07-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1
DJC 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M HEPES (pH 7.5), 5% MPD, 3.5-4.0% PEG MME 2000
|
Resolution 2.32 Å
R-free 0.197
|
|
6KGR
LSD1-FCPA-MPE N5 adduct model
Deposited 2019-07-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 1
DJC 3-[4-[5-fluoranyl-2-(trifluoromethyl)phenyl]phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M HEPES (pH 7.5), 5% MPD, 3.5-4.0% PEG MME 2000
|
Resolution 2.32 Å
R-free 0.198
|
|
6NQM
Crystal structure of Human LSD1
Deposited 2019-01-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
173–830(658 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;296 K;PEG 3350 8%, 0.1 M Ammonium citrate pH6.5
|
Resolution 2.90 Å
R-free 0.244
|
|
6NQU
Human LSD1 in complex with GSK2879552
Deposited 2019-01-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
173–830(658 aa)
|
Not recorded
|
KWM [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[(9~{S},11~{R})-15,16-dimethyl-11-oxidanyl-5,7-bis(oxidanylidene)-9-phenyl-2,4,6,12-tetrazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-2-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7;296 K;PEG3350 6%, 0.1M Ammonium citrate pH7.0
|
Resolution 2.70 Å
R-free 0.258
|
|
6NR5
Human LSD1 in complex with Phenelzine sulfate
Deposited 2019-01-22
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
173–830(658 aa)
|
Not recorded
|
KXM [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methyl (2R,3R,4R)-5-[(4aR)-7,8-dimethyl-2,4-dioxo-5-(2-phenylethyl)-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;296 K;PEG 3350 95, 0.1M Ammonium citrate pH6.5
|
Resolution 2.90 Å
R-free 0.273
|
|
6S35
LSD1/CoREST1 complex with macrocyclic peptide inhibitor
Deposited 2019-06-24
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.5;295 K;Crystallization: hanging drop, 2 uL total, 1:1 protein-to-reservoir. Protein: 11 mg/mL in 50 mM HEPES, 200 mM NaCl, 2 mM DTT, pH 7.5. Reservoir: 100 mM sodium citrate/citric acid, 1.1 M sodium tartrate, pH 5.5.
Soaking: 100 mM sodium citrate/citric acid, 1.5 M sodium tartrate, 10% glycerol, 1 mM ligand, pH 5.5.
|
Resolution 3.10 Å
R-free 0.213
|
|
6TE1
Structure of the KDM1A/CoREST complex with the inhibitor 2-[3-{4-chloro-3-[(4-chlorophenyl)ethynyl]phenyl}-1-(3-morpholin-4-ylpropyl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]-2-oxoethanol
Deposited 2019-11-11
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
N4K 5-[4-cyclobutyl-1-[2-(4-piperidin-4-yloxyphenoxy)ethyl]imidazol-2-yl]-4-methyl-thieno[3,2-b]pyrrole × 2
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;293 K;1.1-1.2 M NA/K TARTRATE 0.1 M ADA
|
Resolution 3.11 Å
R-free 0.192
|
|
6TUY
Human LSD1/CoREST bound to the quinazoline inhibitor MC4106
Deposited 2020-01-08
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
NY8 ~{N}2-[3-(dimethylamino)propyl]-6,7-dimethoxy-~{N}4-[1-(naphthalen-2-ylmethyl)piperidin-4-yl]quinazoline-2,4-diamine × 3
PO4 PHOSPHATE ION × 1
CL CHLORIDE ION × 5
GOL GLYCEROL × 1
DMS DIMETHYL SULFOXIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 6.5;293 K;20 degrees C in 100 mM N-(2-
acetamido)iminodiacetic acid (pH 6.5) and 1.2 M Na-K tartrate
|
Resolution 2.60 Å
R-free 0.223
|
|
6VYP
Crystal structure of the LSD1/CoREST histone demethylase bound to its nucleosome substrate
Deposited 2020-02-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 12
PDB declaration: tetradecameric
|
Chain K
171–852(682 aa)
Chain M
171–852(682 aa)
|
Mutation:R608A/N717A/D721A
Mutation:R608A/N717A/D721A
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH;pH 7.5;277 K;25 mM HEPES pH7.5,
75 mM triammonium citrate,
10% PEG2000-MME,
Modified Microbatch under oil
|
Resolution 4.99 Å
R-free 0.277
|
|
6VYP
Crystal structure of the LSD1/CoREST histone demethylase bound to its nucleosome substrate
Deposited 2020-02-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein–DNA
Heteromer;Protein × 12
PDB declaration: tetradecameric
|
Chain k
171–852(682 aa)
Chain m
171–852(682 aa)
|
Mutation:R608A/N717A/D721A
Mutation:R608A/N717A/D721A
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH;pH 7.5;277 K;25 mM HEPES pH7.5,
75 mM triammonium citrate,
10% PEG2000-MME,
Modified Microbatch under oil
|
Resolution 4.99 Å
R-free 0.277
|
|
6W4K
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011
Deposited 2020-03-11
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
174–832(659 aa)
|
Not recorded
|
V0Y 4-[2-(4-aminopiperidin-1-yl)-5-(3-fluoro-4-methoxyphenyl)-1-methyl-6-oxo-1,6-dihydropyrimidin-4-yl]-2-fluorobenzonitrile × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;1.3M Na Tartrate
|
Resolution 2.93 Å
R-free 0.235
|
|
6WC6
Crystal structure of a truncated LSD1:CoREST in the presence of an LSD1-NT peptide
Deposited 2020-03-29
|
Different construct
Different mutation/modification
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
171–836(666 aa)
Chain C
137–151(15 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 5.6;298 K;The LSD1-CoREST complex 10mg/ml concentration (in 25 mM HEPES-Na, pH 7.4, 100 mM NaCl, 1 mM TCEP) was mixed (1:1) with the reservoir solution [0.60 M Li2SO4, 0.63 M (NH4)2SO4, 0.25 M NaCl, 100 mM Na-citrate, pH 5.6, 5 mM TCEP]. When get crystals, soak the crystals within 5mM LSD1-NT peptide.
|
Resolution 3.10 Å
R-free 0.236
|
|
7CDC
Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide
Deposited 2020-06-19
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
Resolution 2.64 Å
R-free 0.231
|
|
7CDD
Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide
Deposited 2020-06-19
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
Resolution 2.76 Å
R-free 0.227
|
|
7CDE
Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide
Deposited 2020-06-19
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
Resolution 2.68 Å
R-free 0.233
|
|
7CDF
Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide
Deposited 2020-06-19
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
Resolution 2.68 Å
R-free 0.241
|
|
7CDG
Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide
Deposited 2020-06-19
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
Resolution 2.80 Å
R-free 0.242
|
|
7E0G
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct
Deposited 2021-01-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
HUF [[(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 × 1
GOL GLYCEROL × 1
IMD IMIDAZOLE × 2
MG MAGNESIUM ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7;293 K;0.1 M imidazole/HCl (pH 7.0), 14% PEG 3350, 10% 2-methyl-2,4-pentanediol
|
Resolution 2.25 Å
R-free 0.238
|
|
7JJL
Crystal structure of Importin Alpha 3 in complex with human LSD1 NLS
Deposited 2020-07-27
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain B
104–129(26 aa)
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;0.7 M sodium citrate, 0.01M DTT, 0.1M sodium HEPES pH 7
|
Resolution 2.60 Å
R-free 0.266
|
|
7JJM
Crystal structure of Importin alpha 2 in complex with LSD1 NLS
Deposited 2020-07-27
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
104–129(26 aa)
|
Not recorded
|
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;0.7 M sodium citrate, 0.01M DTT, 0.1M sodium HEPES pH 7
|
Resolution 2.06 Å
R-free 0.259
|
|
7JK7
Crystal structure of Importin alpha 2 in complex with LSD1 NLS S111E mutant
Deposited 2020-07-27
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
104–129(26 aa)
|
Mutation:S111E
|
GOL GLYCEROL × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;295 K;0.7 M sodium citrate, 0.01M DTT, 0.1M sodium HEPES pH 7
|
Resolution 1.96 Å
R-free 0.206
|
|
7VQS
Crystal structure of LSD1 in complex with compound 4
Deposited 2021-10-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 4
TLA L(+)-TARTARIC ACID × 1
7UQ 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10-12% PEG 3350
|
Resolution 2.94 Å
R-free 0.256
|
|
7VQT
Crystal structure of LSD1 in complex with compound 5
Deposited 2021-10-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 4
TLA L(+)-TARTARIC ACID × 1
7UW 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-4-yl)methoxy]phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10-12% PEG 3350
|
Resolution 2.91 Å
R-free 0.258
|
|
7VQU
Crystal structure of LSD1 in complex with compound S1427
Deposited 2021-10-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 4
TLA L(+)-TARTARIC ACID × 1
7UQ 3-[3,5-bis(fluoranyl)-2-[(2-fluoranylpyridin-3-yl)methoxy]phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10-12% PEG 3350
|
Resolution 2.94 Å
R-free 0.258
|
|
7W3L
Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024)
Deposited 2021-11-25
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
8A2 3-[4-bromanyl-2,5-bis(fluoranyl)phenyl]propanal × 1
TLA L(+)-TARTARIC ACID × 1
GOL GLYCEROL × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;0.1M MES (pH 6.6), 0.2M diammonium tartrate, 0.0005M TCEP, 10-12% PEG 3350
|
Resolution 2.51 Å
R-free 0.216
|
|
7XW8
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct
Deposited 2022-05-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
GOL GLYCEROL × 1
MG MAGNESIUM ION × 2
FA8 [[(2R,3S,4S)-5-[(4AS)-7,8-DIMETHYL-2,4-DIOXO-4A,5-DIHYDROBENZO[G]PTERIDIN-10-YL]-2,3,4-TRIHYDROXY-PENTOXY]-HYDROXY-PHOSPHORYL] [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL HYDROGEN PHOSPHATE × 1
I00 ~{N}-(oxan-4-yl)-5-(3-oxidanylidenepropyl)thiophene-3-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;0.1 M imidazole-HCl (pH 6.5), 10% PEG 3350, 10% 2-methyl-2,4-pentanediol and 50 mM ammonium formate
|
Resolution 2.28 Å
R-free 0.230
|
|
8BOP
LSD1-CoREST in complex with AW4, long soaking
Deposited 2022-11-15
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
SV9 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.74 Å
R-free 0.262
|
|
8BOX
LSD1-CoREST in complex with AW4 and SNAG peptide
Deposited 2022-11-15
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
SV9 [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{S})-5-[7,8-dimethyl-2,4-bis(oxidanylidene)-5-[3-[4-(3-phenylphenyl)phenyl]propanoyl]-1~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.82 Å
R-free 0.229
|
|
8F2Z
LSD1-CoREST in complex with AW2, short soaking
Deposited 2022-11-09
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XB3 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-([1,1'-biphenyl]-4-yl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 M Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 3.00 Å
R-free 0.246
|
|
8F30
LSD1-CoREST in complex with AW2, long soaking
Deposited 2022-11-09
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XB6 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 3.10 Å
R-free 0.223
|
|
8F59
LSD1-CoREST in complex with AW2 and SNAG peptide
Deposited 2022-11-12
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XB6 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-{5-[3-([1,1'-biphenyl]-4-yl)propanoyl]-7,8-dimethyl-2,4-dioxo-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl}-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.80 Å
R-free 0.234
|
|
8F6S
LSD1-CoREST in complex with T105
Deposited 2022-11-17
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XHT [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) × 1
XHX 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.91 Å
R-free 0.244
|
|
8FDV
LSD1-CoREST in complex N-formyl FAD and SNAG peptide
Deposited 2022-12-05
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
HUF [[(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 × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.95 Å
R-free 0.252
|
|
8FJ4
LSD1-CoREST in complex with T108, short soaking
Deposited 2022-12-19
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XZU 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-phenylbenzamide × 3
XZQ [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-[3-(phenylcarbamoyl)phenyl]-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.76 Å
R-free 0.248
|
|
8FJ7
LSD1-CoREST in complex with T108 and SNAG peptide
Deposited 2022-12-19
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
Y0Z [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[7,8-dimethyl-2,4-dioxo-5-{3-[3-(phenylcarbamoyl)phenyl]propanoyl}-1,3,4,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.80 Å
R-free 0.243
|
|
8FQJ
LSD1-CoREST in complex with T14, short soaking
Deposited 2023-01-06
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
Y66 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4R)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.90 Å
R-free 0.246
|
|
8FRI
LSD1-CoREST in complex with AW4, short soaking
Deposited 2023-01-07
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
Y9K [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-([1~1~,2~1~:2~3~,3~1~-terphenyl]-1~4~-yl)-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 M Sodium/Potassium Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.80 Å
R-free 0.241
|
|
8FRQ
LSD1-CoREST in complex with T14, long soaking
Deposited 2023-01-08
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XF6 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(4aS)-7,8-dimethyl-5-(3-{4-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}propanoyl)-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.89 Å
R-free 0.241
|
|
8FRV
LSD1-CoREST in complex with T17, short soaking
Deposited 2023-01-09
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
YAF [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-[3-(dimethylcarbamoyl)phenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;298 K;1.2 Sodium/Potassium Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.72 Å
R-free 0.248
|
|
8FSK
LSD1-CoREST in complex with T18, short soaking
Deposited 2023-01-10
|
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
YAO [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-(3-benzamidophenyl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Sodium/Potassium Tartrate, 100 mM ADA pH 6.5
|
Resolution 3.13 Å
R-free 0.223
|
|
8GJ6
LSD1-CoREST in complex with T16
Deposited 2023-03-15
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
ZSI [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-[3-(methylcarbamoyl)phenyl]-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) × 1
K POTASSIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Sodium/Potassium Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.77 Å
R-free 0.251
|
|
8INL
LSD1 in complex with S2172
Deposited 2023-03-10
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
TLA L(+)-TARTARIC ACID × 1
GOL GLYCEROL × 5
DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;0.1M MES (pH 6.5), 0.2M diammonium tartrate, 0.0005M TCEP, 14% PEG 3350
|
Resolution 2.62 Å
R-free 0.216
|
|
8JF5
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440
Deposited 2023-05-17
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
172–833(662 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 2
UEU 4-[5-[(3~{R})-3-azanylpyrrolidin-1-yl]carbonyl-2-[2-fluoranyl-4-(2-methyl-2-oxidanyl-propyl)phenyl]phenyl]-2-fluoranyl-benzenecarbonitrile × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 6.5;293 K;100mM ADA pH6.5, 1.22M Na/K Tartrate
|
Resolution 3.20 Å
R-free 0.230
|
|
8Q1G
LSD1-CoREST bound to Acetylated K14 of Histone H3
Deposited 2023-07-31
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;Sodium Tartrate 1.2M, ADA 0.1M,
|
Resolution 2.60 Å
R-free 0.255
|
|
8Q1H
LSD1 Y391K-CoREST bound to Histone H3 N-terminal tail
Deposited 2023-07-31
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;Sodium Tartrate 1.2 M, ADA 0.1M
|
Resolution 2.90 Å
R-free 0.254
|
|
8Q1J
LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3
Deposited 2023-07-31
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;Sodium Tartate 1.2 M, ADA 0.1M
|
Resolution 2.87 Å
R-free 0.272
|
|
8UL6
LSD1-CoREST in complex with T16, long soaking
Deposited 2023-10-16
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
ZSI [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3S,3aS,13R)-1-hydroxy-10,11-dimethyl-3-[3-(methylcarbamoyl)phenyl]-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.74 Å
R-free 0.241
|
|
8UL8
LSD1-CoREST in complex with T15, short soaking
Deposited 2023-10-16
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XRK methyl 3-{(1R,3S,3aS,13R)-8-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,4,5,6,8-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-3-yl}benzoate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.82 Å
R-free 0.247
|
|
8ULB
LSD1-CoREST in complex with T17, long soaking
Deposited 2023-10-16
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
YAF [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-[3-(dimethylcarbamoyl)phenyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;1.2 M Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
Resolution 3.41 Å
R-free 0.216
|
|
8ULC
LSD1-CoREST in complex with T15, long soaking
Deposited 2023-10-16
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XRK methyl 3-{(1R,3S,3aS,13R)-8-[(2S,3S,4R)-5-{[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,4,5,6,8-hexahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-3-yl}benzoate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;1.2 M Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.82 Å
R-free 0.255
|
|
8UMQ
LSD1-CoREST in complex with T18, long soaking
Deposited 2023-10-18
|
Different oligomeric state
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
YAO [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-5-[(1R,3S,3aS,13R)-3-(3-benzamidophenyl)-1-hydroxy-10,11-dimethyl-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;1.2 Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
Resolution 3.26 Å
R-free 0.209
|
|
8UNI
LSD1-CoREST with N-formyl-FAD in complex with H3K4M histone tail
Deposited 2023-10-19
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
HUF [[(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 × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;1.2 M Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
Resolution 3.40 Å
R-free 0.252
|
|
8UOM
LSD1-CoREST with N-formyl-FAD in complex with H3dimeK4 histone tail
Deposited 2023-10-20
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
HUF [[(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 × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 3.20 Å
R-free 0.240
|
|
8YM7
Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45
Deposited 2024-03-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
173–832(660 aa)
|
Not recorded
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
A1LZJ 4-[5-(4-azanylpiperidin-1-yl)-8-(4-methylphenyl)pyrido[3,4-b]pyrazin-7-yl]-2-fluoranyl-benzenecarbonitrile × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M Sodium acetate pH 4.6
1.2 M Sodium malonate
|
Resolution 2.83 Å
R-free 0.248
|
|
9DBP
Crystal structure of the LSD1/CoREST histone demethylase in complex with the cofactor FAD and the inhibitor GSK690
Deposited 2024-08-23
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
172–831(660 aa)
|
Mutation:R269A,K469A
|
FAD FLAVIN-ADENINE DINUCLEOTIDE × 1
GOL GLYCEROL × 2
A1A5U 4-[2-(4-methylphenyl)-5-{[(3R)-pyrrolidin-3-yl]methoxy}pyridin-3-yl]benzonitrile × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;100 mM ADA, 1.2 - 1.6M N/K and 3% w/v D-(+)-Glucose monohydrate
|
Resolution 2.66 Å
R-free 0.250
|
|
9DWU
CoREST complex bound to U2AF2
Deposited 2024-10-10
|
Different construct
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain A
171–836(666 aa)
Fragment:UNP residues 171-836
|
Not recorded
|
No recorded non-water small molecule
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 5.14 Å
|
|
9EL7
LSD1-CoREST in complex with T105 enantiomer (1R,2S)
Deposited 2024-12-04
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
A1BI4 [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3S,4R)-5-[(4aS)-7,8-dimethyl-4a-[(1R)-1-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-3-oxopropyl]-2,4-dioxo-3,4,4a,5-tetrahydrobenzo[g]pteridin-10(2H)-yl]-2,3,4-trihydroxypentyl dihydrogen diphosphate (non-preferred name) × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;300 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.87 Å
R-free 0.242
|
|
9EL8
LSD1-CoREST in complex with T105 1S2R enantiomer
Deposited 2024-12-04
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XHT [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2S,3R,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-3-{3-[(5-methyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl}-4,6-dioxo-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate (non-preferred name) × 1
XHX 3-[(1R,2S)-2-(cyclobutylamino)cyclopropyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;300 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.91 Å
R-free 0.244
|
|
9ELA
LSD1-CoREST in complex with T108, long soaking
Deposited 2024-12-04
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
XZQ [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl (2R,3S,4S)-2,3,4-trihydroxy-5-[(1R,3R,3aS,13R)-1-hydroxy-10,11-dimethyl-4,6-dioxo-3-[3-(phenylcarbamoyl)phenyl]-2,3,5,6-tetrahydro-1H-benzo[g]pyrrolo[2,1-e]pteridin-8(4H)-yl]pentyl dihydrogen diphosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;300 K;1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
Resolution 2.85 Å
R-free 0.243
|
|
9F0A
N5 Adduct of LSD1-CoREST in complex with MC4455
Deposited 2024-04-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
123–852(730 aa)
|
Not recorded
|
A1H8N [[(2~{S},3~{R},4~{S},5~{S})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{S},3~{S},4~{R})-5-[5-[3-[4-[[4-[[(2~{S})-3-(3,4-dihydro-1~{H}-isoquinolin-2-yl)-2-oxidanyl-propyl]carbamoyl]pyridin-2-yl]amino]phenyl]propanoyl]-7,8-dimethyl-2,4-bis(oxidanylidene)-4~{a}~{H}-benzo[g]pteridin-10-yl]-2,3,4-tris(oxidanyl)pentyl] hydrogen phosphate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;1.2 M Sodium Tartrate, 0.1 M ADA, pH 6.5
|
Resolution 3.36 Å
R-free 0.234
|
|
9FWG
LSD1/CoREST bound to bomedemstat
Deposited 2024-06-30
|
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–852(852 aa)
|
Not recorded
|
A1IG2 Bomedemstat FAD adduct × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 6.5;293 K;100 mM N-(2-Acetamido)iminodiacetic acid (ADA) pH 6.5, 1.2 M Na/K Tartrate. Crystals were soaked in a solution containing 1 mM bomedemstat for 2 hours at 20 degress
|
Resolution 3.20 Å
R-free 0.227
|