当前蛋白身份：O60341
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差异标签只比较当前检索结果；所有PDB和assembly原始记录仍分别保留。
相关结构差异明细
一行代表一个 PDB 条目中的一个 biological assembly；同一蛋白的多个单体会分别列出。
| PDB 条目 | Assembly / 聚集状态 | 构建体 | 突变与修饰 | 配体、离子与非聚合物 | 实验方法 | 实验环境 | 结构质量 |
|---|---|---|---|---|---|---|---|
| 2COM The solution structure of the SWIRM domain of human LSD1 提交 2005-05-18 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
169–279（111 aa）
片段：SWIRM domain
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 7；296 K；离子强度（mmCIF原始值）120mM；压力 ambient
NMR样品组成
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
|
分辨率未提供 |
| 2DW4 Crystal structure of human LSD1 at 2.3 A resolution 提交 2006-08-02 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–831（660 aa）
片段：residues 172-831
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 2.30 Å R-free 0.226 |
| 2EJR LSD1-tranylcypromine complex 提交 2007-03-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
片段：LSD1, residues 172-833
|
未记录 | 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结晶条件
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
|
分辨率 2.70 Å R-free 0.245 |
| 2H94 Crystal Structure and Mechanism of human Lysine-Specific Demethylase-1 提交 2006-06-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–835（664 aa）
|
未记录 | HG MERCURY (II) ION × 3 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 2.90 Å R-free 0.281 |
| 2HKO Crystal structure of LSD1 提交 2006-07-05 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–835（664 aa）
|
突变：R594Q | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 2.80 Å R-free 0.283 |
| 2IW5 Structural Basis for CoREST-Dependent Demethylation of Nucleosomes by the Human LSD1 Histone Demethylase 提交 2006-06-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
171–836（666 aa）
片段：SWIRM DOMAIN, AMINE OXIDASE DOMAIN AND LINKER, RESIDUES 171-836
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 CL CHLORIDE ION × 3 GOL GLYCEROL × 2 NH4 AMMONIUM ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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.
|
分辨率 2.57 Å R-free 0.212 |
| 2L3D The solution structure of the short form SWIRM domain of LSD1 提交 2010-09-13 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
174–273（100 aa）
片段：SWIRM domain
|
未记录 | 未记录非水小分子 | SOLUTION NMR |
NMR测量条件
pH 6.5；298 K；离子强度（mmCIF原始值）50；压力 ambient
NMR样品组成
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样品组成
0.8mM SWIRM-6, 50mM sodium phosphate-7, 50mM sodium chloride-8, 2mM DTT-9, 1mM EDTA-10, 100% D2O | 100% D2O
|
分辨率未提供 |
| 2UXN Structural Basis of Histone Demethylation by LSD1 Revealed by Suicide Inactivation 提交 2007-03-28 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
171–836（666 aa）
片段：SWIRM DOMAIN, AMINE OXIDASE DOMAIN AND LINKER, RESIDUES 171-836
|
未记录 | FDA DIHYDROFLAVINE-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 2.72 Å R-free 0.272 |
| 2UXX Human LSD1 Histone Demethylase-CoREST in complex with an FAD- tranylcypromine adduct 提交 2007-03-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
171–836（666 aa）
片段：SWIRM DOMAIN, AMINE OXIDASE DOMAIN AND LINKER, RESIDUES 171-836
|
未记录 | FAJ FAD-trans-2-Phenylcyclopropylamine Adduct × 1 GOL GLYCEROL × 2 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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.
|
分辨率 2.74 Å R-free 0.260 |
| 2V1D Structural basis of LSD1-CoREST selectivity in histone H3 recognition 提交 2007-05-23 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
123–852（730 aa）
片段：RESIDUES 123-852
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 3.10 Å R-free 0.239 |
| 2X0L Crystal structure of a neuro-specific splicing variant of human histone lysine demethylase LSD1. 提交 2009-12-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION | mmCIF 未提供已读取条件 | 分辨率 3.00 Å R-free 0.252 |
| 2XAF Crystal structure of LSD1-CoREST in complex with para-bromo-(+)-cis-2- phenylcyclopropyl-1-amine 提交 2010-03-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 TCF 3-(4-BROMOPHENYL)PROPANAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
SODIUM/POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
分辨率 3.25 Å R-free 0.229 |
| 2XAG Crystal structure of LSD1-CoREST in complex with para-bromo-(-)-trans- 2-phenylcyclopropyl-1-amine 提交 2010-03-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 TCF 3-(4-BROMOPHENYL)PROPANAMIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
分辨率 3.10 Å R-free 0.245 |
| 2XAH Crystal structure of LSD1-CoREST in complex with (+)-trans-2- phenylcyclopropyl-1-amine 提交 2010-03-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 3PL 3-PHENYLPROPANAL × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
分辨率 3.10 Å R-free 0.228 |
| 2XAJ Crystal structure of LSD1-CoREST in complex with (-)-trans-2- phenylcyclopropyl-1-amine 提交 2010-03-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 TCA PHENYLETHYLENECARBOXYLIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
分辨率 3.30 Å R-free 0.227 |
| 2XAQ Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2584, 13b) 提交 2010-03-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 M84 3-{4-[(PHENYLCARBONYL)AMINO]PHENYL}PROPANOIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
分辨率 3.20 Å R-free 0.264 |
| 2XAS Crystal structure of LSD1-CoREST in complex with a tranylcypromine derivative (MC2580, 14e) 提交 2010-03-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 M80 3-[4-({N-[(BENZYLOXY)CARBONYL]-L-PHENYLALANYL}AMINO)PHENYL]PROPANOIC ACID × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
SODIUM-POTASSIUM TARTRATE, ADA BUFFER PH 6.5
|
分辨率 3.20 Å R-free 0.220 |
| 2Y48 Crystal structure of LSD1-CoREST in complex with a N-terminal SNAIL peptide 提交 2011-01-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
123–852（730 aa）
片段：RESIDUES 123-852
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
1.2 M SODIUM/POTASSIUM TARTRATE, 100 MM ADA BUFFER PH 6.5
|
分辨率 3.00 Å R-free 0.246 |
| 2Z3Y Crystal structure of Lysine-specific demethylase1 提交 2007-06-08 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
片段：LSD1, residues 172-833
|
未记录 | 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结晶条件
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
|
分辨率 2.25 Å R-free 0.255 |
| 2Z5U Crystal structure of Lysine-specific histone demethylase 1 提交 2007-07-17 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
片段：LSD1, residues 172-833
|
未记录 | FAJ FAD-trans-2-Phenylcyclopropylamine Adduct × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 2.25 Å R-free 0.254 |
| 3ABT Crystal Structure of LSD1 in complex with trans-2-pentafluorophenylcyclopropylamine 提交 2009-12-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
片段：amine oxidase (flavin containing) domain 2, residues 172-833
|
未记录 | 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结晶条件
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
|
分辨率 3.20 Å R-free 0.272 |
| 3ABU Crystal Structure of LSD1 in complex with a 2-PCPA derivative, S1201 提交 2009-12-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
片段：amine oxidase (flavin containing) domain 2, residues 172-833
|
未记录 | 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结晶条件
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
|
分辨率 3.10 Å R-free 0.295 |
| 3ZMS LSD1-CoREST in complex with INSM1 peptide 提交 2013-02-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.96 Å R-free 0.227 |
| 3ZMT LSD1-CoREST in complex with PRSFLV peptide 提交 2013-02-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 3.10 Å R-free 0.230 |
| 3ZMU LSD1-CoREST in complex with PKSFLV peptide 提交 2013-02-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 3.20 Å R-free 0.226 |
| 3ZMV LSD1-CoREST in complex with PLSFLV peptide 提交 2013-02-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 4 PDB 声明：tetrameric（4） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 3.00 Å R-free 0.258 |
| 3ZMZ LSD1-CoREST in complex with PRSFAV peptide 提交 2013-02-13 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 3.00 Å R-free 0.227 |
| 3ZN0 LSD1-CoREST in complex with PRSFAA peptide 提交 2013-02-13 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 2.80 Å R-free 0.244 |
| 3ZN1 LSD1-CoREST in complex with PRLYLV peptide 提交 2013-02-13 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 3.10 Å R-free 0.230 |
| 4BAY Phosphomimetic mutant of LSD1-8a splicing variant in complex with CoREST 提交 2012-09-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
192–876（685 aa）
片段：RESIDUES 192-876
|
突变：YES | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 3.10 Å R-free 0.226 |
| 4CZZ Histone demethylase LSD1(KDM1A)-CoREST3 Complex 提交 2014-04-23 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；pH 6.5
|
分辨率 3.00 Å R-free 0.236 |
| 4KUM Structure of LSD1-CoREST-Tetrahydrofolate complex 提交 2013-05-22 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
171–836（666 aa）
片段：SWIRM andFAD binding domains, residues 171-836
|
未记录 | 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结晶条件
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
|
分辨率 3.05 Å R-free 0.217 |
| 4UV8 LSD1(KDM1A)-CoREST in complex with 1-Benzyl-Tranylcypromine 提交 2014-08-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | 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结晶条件
pH 6.5；pH 6.5
|
分辨率 2.80 Å R-free 0.237 |
| 4UV9 LSD1(KDM1A)-CoREST in complex with 1-Ethyl-Tranylcypromine 提交 2014-08-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | 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结晶条件
pH 6.5；PH 6.5
|
分辨率 3.00 Å R-free 0.246 |
| 4UVA LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1R,2S) 提交 2014-08-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | 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结晶条件
pH 6.5；PH 6.5
|
分辨率 2.90 Å R-free 0.232 |
| 4UVB LSD1(KDM1A)-CoREST in complex with 1-Methyl-Tranylcypromine (1S,2R) 提交 2014-08-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | 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结晶条件
pH 6.5；pH 6.5
|
分辨率 2.80 Å R-free 0.236 |
| 4UVC LSD1(KDM1A)-CoREST in complex with 1-Phenyl-Tranylcypromine 提交 2014-08-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–876（876 aa）
|
未记录 | 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结晶条件
pH 6.5；pH 6.5
|
分辨率 3.10 Å R-free 0.241 |
| 4UXN LSD1(KDM1A)-CoREST in complex with Z-Pro derivative of MC2580 提交 2014-08-27 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 M8A benzyl (2R)-2-{[4-(3-oxopropyl)phenyl]carbamoyl}pyrrolidine-1-carboxylate × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
pH 6.5；PH 6.5
|
分辨率 2.85 Å R-free 0.215 |
| 4XBF Structure of LSD1:CoREST in complex with ssRNA 提交 2014-12-16 | Assembly 1 蛋白–RNA 异源复合物；蛋白 × 8 PDB 声明：dodecameric（12） 与全部聚合物一致 |
链 A
171–836（666 aa）
片段：UNP residues 171-836
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 4 SO4 SULFATE ION × 20 GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
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]
|
分辨率 2.80 Å R-free 0.227 |
| 5AFW Assembly of methylated LSD1 and CHD1 drives AR-dependent transcription and translocation 提交 2015-01-26 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
108–119（12 aa）
片段：RESIDUES 108-119
|
非标准单体：是（mmCIF未提供具体位点） | EDO 1,2-ETHANEDIOL × 9 CL CHLORIDE ION × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
0.1 M HEPES PH 7.5, 0.2 M L-PROLINE, 10% (W/V) PEG3350
|
分辨率 1.60 Å R-free 0.227 |
| 5H6Q Crystal structure of LSD1-CoREST in complex with peptide 11 提交 2016-11-14 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
172–833（662 aa）
片段：UNP RESIDUES 172-833
|
未记录 | GOL GLYCEROL × 4 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M N-(2-Acetamido) iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate.
|
分辨率 2.53 Å R-free 0.247 |
| 5H6R Crystal structure of LSD1-CoREST in complex with peptide 13 提交 2016-11-14 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
172–833（662 aa）
片段：UNP RESIDUES 172-833
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 2.60 Å R-free 0.231 |
| 5IT3 Swirm domain of human Lsd1 提交 2016-03-16 | Assembly 1 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
183–267（85 aa）
片段：Swirm domain, UNP residues 183-267
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 8.5；293 K；0.1 M MgCl2, 0.1 M Tris, 25%(w/v) PEG 3350
|
分辨率 1.40 Å R-free 0.194 |
| 5IT3 Swirm domain of human Lsd1 提交 2016-03-16 | Assembly 2 蛋白同源多聚体 同源多聚体；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
183–267（85 aa）
片段：Swirm domain, UNP residues 183-267
|
未记录 | MG MAGNESIUM ION × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
EVAPORATION；pH 8.5；293 K；0.1 M MgCl2, 0.1 M Tris, 25%(w/v) PEG 3350
|
分辨率 1.40 Å R-free 0.194 |
| 5L3B Human LSD1/CoREST: LSD1 D556G mutation 提交 2016-04-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
突变：D556G | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；Tartrate 1-1.4 M, ADA 100 mM pH 6.5
|
分辨率 3.30 Å R-free 0.208 |
| 5L3C Human LSD1/CoREST: LSD1 E379K mutation 提交 2016-04-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
突变：E379K | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；Tartrate 1-1.4 M, ADA 100 mM pH 6.5
|
分辨率 3.31 Å R-free 0.223 |
| 5L3D Human LSD1/CoREST: LSD1 Y761H mutation 提交 2016-04-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；Tartrate 1-1.4 M, ADA 100 mM pH 5.6
|
分辨率 2.60 Å R-free 0.219 |
| 5L3E LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor 提交 2016-04-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.3 M Na/K Tartrate, 100 mM ADA
|
分辨率 2.80 Å R-free 0.224 |
| 5L3F LSD1-CoREST1 in complex with polymyxin B 提交 2016-04-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.3 M Na/K Tartrate
100 mM ADA
|
分辨率 3.50 Å R-free 0.210 |
| 5L3G LSD1-CoREST1 in complex with polymyxin E (colistin) 提交 2016-04-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 NA SODIUM ION × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.3 M Na/K Tartrate
100 mM ADA
|
分辨率 3.10 Å R-free 0.197 |
| 5LBQ LSD1-CoREST1 in complex with quinazoline-derivative reversible inhibitor 提交 2016-06-16 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；100 mM ADA pH 6.5
1.2 M Na/Ka Tartrate
|
分辨率 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 提交 2016-07-07 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
192–860（669 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION；pH 5.6；297 K；Sodium Tartrate 1.2 M as precipitant in Sodium Citrate buffer pH 5.6
|
分辨率 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 提交 2016-07-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | 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结晶条件
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.
|
分辨率 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 提交 2016-07-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | 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结晶条件
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.
|
分辨率 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 提交 2016-07-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.1-1.2 M Na/K tartrate
0.1 M ADA pH 6.0
|
分辨率 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 提交 2016-07-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.1-1.2 M Na/K tartrate
0.1 M ADA pH 6.0
|
分辨率 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 提交 2016-07-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.1-1.2 M Na/K tartrate
0.1 M ADA pH 6.0
|
分辨率 3.40 Å R-free 0.225 |
| 5X60 Crystal structure of LSD1-CoREST in complex with peptide 9 提交 2017-02-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
172–833（662 aa）
片段：UNP RESIDUES 172-833
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M N-(2-acetamido)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate.
|
分辨率 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 提交 2017-10-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
172–833（662 aa）
片段：UNP residues 172-833
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M N-(2-ACETAMIDO)IMINODIACETIC ACID (PH 5.5), 1.23M POTASSIUM SODIUM TARTRATE TETRAHYDRATE
|
分辨率 2.96 Å R-free 0.219 |
| 6E1F Crystal structure of the SWIRM domain of human histone lysine-specific demethylase LSD1 提交 2018-07-09 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
183–267（85 aa）
片段：SWIRM domain (UNP residues 183-267)
|
未记录 | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 1.16 Å R-free 0.169 |
| 6E1F Crystal structure of the SWIRM domain of human histone lysine-specific demethylase LSD1 提交 2018-07-09 | Assembly 2 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 B
183–267（85 aa）
片段：SWIRM domain (UNP residues 183-267)
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 1.16 Å R-free 0.169 |
| 6E1F Crystal structure of the SWIRM domain of human histone lysine-specific demethylase LSD1 提交 2018-07-09 | Assembly 3 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 C
183–267（85 aa）
片段：SWIRM domain (UNP residues 183-267)
|
未记录 | SO4 SULFATE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 1.16 Å R-free 0.169 |
| 6E1F Crystal structure of the SWIRM domain of human histone lysine-specific demethylase LSD1 提交 2018-07-09 | Assembly 4 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 D
183–267（85 aa）
片段：SWIRM domain (UNP residues 183-267)
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 1.16 Å R-free 0.169 |
| 6K3E LSD1/Co-Rest structure with an inhibitor 提交 2019-05-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；291 K；36% Tacsimate
|
分辨率 2.87 Å R-free 0.223 |
| 6KGK LSD1-CoREST-S2101 five-membered ring adduct model 提交 2019-07-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | GOL GLYCEROL × 3 DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.23 M potassium sodium tartrate
|
分辨率 2.70 Å R-free 0.206 |
| 6KGL LSD1-CoREST-S2101 N5 adduct model 提交 2019-07-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | GOL GLYCEROL × 3 DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.28 M potassium sodium tartrate
|
分辨率 2.70 Å R-free 0.205 |
| 6KGM LSD1-CoREST-S2116 five-membered ring adduct model 提交 2019-07-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | GOL GLYCEROL × 5 DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.28 M potassium sodium tartrate
|
分辨率 2.62 Å R-free 0.195 |
| 6KGN LSD1-CoREST-S2116 N5 adduct model 提交 2019-07-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | GOL GLYCEROL × 5 DJ0 3-[3,5-bis(fluoranyl)-2-phenylmethoxy-phenyl]propanal × 1 FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M N-(carbamoylmethyl)iminodiacetic acid (pH 5.5), 1.28 M potassium sodium tartrate
|
分辨率 2.62 Å R-free 0.194 |
| 6KGO LSD1-S2157 five-membered ring adduct model 提交 2019-07-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10% PEG3350
|
分辨率 2.25 Å R-free 0.204 |
| 6KGP LSD1-S2157 N5 adduct model 提交 2019-07-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MES (pH 6.2-6.3), 0.2M diammonium tartrate, 0.0005M TCEP, 10% PEG3350
|
分辨率 2.25 Å R-free 0.204 |
| 6KGQ LSD1-FCPA-MPE five-membered ring adduct model 提交 2019-07-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES (pH 7.5), 5% MPD, 3.5-4.0% PEG MME 2000
|
分辨率 2.32 Å R-free 0.197 |
| 6KGR LSD1-FCPA-MPE N5 adduct model 提交 2019-07-12 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES (pH 7.5), 5% MPD, 3.5-4.0% PEG MME 2000
|
分辨率 2.32 Å R-free 0.198 |
| 6NQM Crystal structure of Human LSD1 提交 2019-01-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
173–830（658 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；PEG 3350 8%, 0.1 M Ammonium citrate pH6.5
|
分辨率 2.90 Å R-free 0.244 |
| 6NQU Human LSD1 in complex with GSK2879552 提交 2019-01-21 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
173–830（658 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 7；296 K；PEG3350 6%, 0.1M Ammonium citrate pH7.0
|
分辨率 2.70 Å R-free 0.258 |
| 6NR5 Human LSD1 in complex with Phenelzine sulfate 提交 2019-01-22 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
173–830（658 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；PEG 3350 95, 0.1M Ammonium citrate pH6.5
|
分辨率 2.90 Å R-free 0.273 |
| 6S35 LSD1/CoREST1 complex with macrocyclic peptide inhibitor 提交 2019-06-24 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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.
|
分辨率 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 提交 2019-11-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；1.1-1.2 M NA/K TARTRATE 0.1 M ADA
|
分辨率 3.11 Å R-free 0.192 |
| 6TUY Human LSD1/CoREST bound to the quinazoline inhibitor MC4106 提交 2020-01-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
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
|
分辨率 2.60 Å R-free 0.223 |
| 6VYP Crystal structure of the LSD1/CoREST histone demethylase bound to its nucleosome substrate 提交 2020-02-27 | Assembly 1 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：tetradecameric（14） 与全部聚合物一致 |
链 K
171–852（682 aa）
链 M
171–852（682 aa）
|
突变：R608A/N717A/D721A 突变：R608A/N717A/D721A | FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
MICROBATCH；pH 7.5；277 K；25 mM HEPES pH7.5,
75 mM triammonium citrate,
10% PEG2000-MME,
Modified Microbatch under oil
|
分辨率 4.99 Å R-free 0.277 |
| 6VYP Crystal structure of the LSD1/CoREST histone demethylase bound to its nucleosome substrate 提交 2020-02-27 | Assembly 2 蛋白–DNA 异源复合物；蛋白 × 12 PDB 声明：tetradecameric（14） 与全部聚合物一致 |
链 k
171–852（682 aa）
链 m
171–852（682 aa）
|
突变：R608A/N717A/D721A 突变：R608A/N717A/D721A | FAD FLAVIN-ADENINE DINUCLEOTIDE × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
MICROBATCH；pH 7.5；277 K；25 mM HEPES pH7.5,
75 mM triammonium citrate,
10% PEG2000-MME,
Modified Microbatch under oil
|
分辨率 4.99 Å R-free 0.277 |
| 6W4K Crystal structure of Lysine Specific Demethylase 1 (LSD1) with CC-90011 提交 2020-03-11 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
174–832（659 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.3M Na Tartrate
|
分辨率 2.93 Å R-free 0.235 |
| 6WC6 Crystal structure of a truncated LSD1:CoREST in the presence of an LSD1-NT peptide 提交 2020-03-29 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
171–836（666 aa）
链 C
137–151（15 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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.
|
分辨率 3.10 Å R-free 0.236 |
| 7CDC Crystal structure of LSD1-CoREST in complex with PRSFLVRRP peptide 提交 2020-06-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
分辨率 2.64 Å R-free 0.231 |
| 7CDD Crystal structure of LSD1-CoREST in complex with PRSFLVRR peptide 提交 2020-06-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 2 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
分辨率 2.76 Å R-free 0.227 |
| 7CDE Crystal structure of LSD1-CoREST in complex with PRSFLVRKR peptide 提交 2020-06-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 5 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
分辨率 2.68 Å R-free 0.233 |
| 7CDF Crystal structure of LSD1-CoREST in complex with PRSFLVRRK peptide 提交 2020-06-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 3 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
分辨率 2.68 Å R-free 0.241 |
| 7CDG Crystal structure of LSD1-CoREST in complex with PRSFLVRRR peptide 提交 2020-06-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1 M N-(carbamoylmethyl)iminodiacetic acid, 1.23 M potassium sodium tartrate tetrahydrate
|
分辨率 2.80 Å R-free 0.242 |
| 7E0G Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418, FAD-adduct 提交 2021-01-28 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
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
|
分辨率 2.25 Å R-free 0.238 |
| 7JJL Crystal structure of Importin Alpha 3 in complex with human LSD1 NLS 提交 2020-07-27 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 B
104–129（26 aa）
|
未记录 | 未记录非水小分子 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；0.7 M sodium citrate, 0.01M DTT, 0.1M sodium HEPES pH 7
|
分辨率 2.60 Å R-free 0.266 |
| 7JJM Crystal structure of Importin alpha 2 in complex with LSD1 NLS 提交 2020-07-27 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
104–129（26 aa）
|
未记录 | CL CHLORIDE ION × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；0.7 M sodium citrate, 0.01M DTT, 0.1M sodium HEPES pH 7
|
分辨率 2.06 Å R-free 0.259 |
| 7JK7 Crystal structure of Importin alpha 2 in complex with LSD1 NLS S111E mutant 提交 2020-07-27 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
104–129（26 aa）
|
突变：S111E | GOL GLYCEROL × 4 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；295 K；0.7 M sodium citrate, 0.01M DTT, 0.1M sodium HEPES pH 7
|
分辨率 1.96 Å R-free 0.206 |
| 7VQS Crystal structure of LSD1 in complex with compound 4 提交 2021-10-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
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
|
分辨率 2.94 Å R-free 0.256 |
| 7VQT Crystal structure of LSD1 in complex with compound 5 提交 2021-10-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
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
|
分辨率 2.91 Å R-free 0.258 |
| 7VQU Crystal structure of LSD1 in complex with compound S1427 提交 2021-10-20 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
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
|
分辨率 2.94 Å R-free 0.258 |
| 7W3L Crystal structure of LSD1 in complex with cis-4-Br-2,5-F2-PCPA (S1024) 提交 2021-11-25 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M MES (pH 6.6), 0.2M diammonium tartrate, 0.0005M TCEP, 10-12% PEG 3350
|
分辨率 2.51 Å R-free 0.216 |
| 7XW8 Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAK-418 distomer, FAD-adduct 提交 2022-05-26 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
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
|
分辨率 2.28 Å R-free 0.230 |
| 8BOP LSD1-CoREST in complex with AW4, long soaking 提交 2022-11-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.74 Å R-free 0.262 |
| 8BOX LSD1-CoREST in complex with AW4 and SNAG peptide 提交 2022-11-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.82 Å R-free 0.229 |
| 8F2Z LSD1-CoREST in complex with AW2, short soaking 提交 2022-11-09 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 M Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 3.00 Å R-free 0.246 |
| 8F30 LSD1-CoREST in complex with AW2, long soaking 提交 2022-11-09 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 3.10 Å R-free 0.223 |
| 8F59 LSD1-CoREST in complex with AW2 and SNAG peptide 提交 2022-11-12 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.80 Å R-free 0.234 |
| 8F6S LSD1-CoREST in complex with T105 提交 2022-11-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.91 Å R-free 0.244 |
| 8FDV LSD1-CoREST in complex N-formyl FAD and SNAG peptide 提交 2022-12-05 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.95 Å R-free 0.252 |
| 8FJ4 LSD1-CoREST in complex with T108, short soaking 提交 2022-12-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.76 Å R-free 0.248 |
| 8FJ7 LSD1-CoREST in complex with T108 and SNAG peptide 提交 2022-12-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.80 Å R-free 0.243 |
| 8FQJ LSD1-CoREST in complex with T14, short soaking 提交 2023-01-06 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.90 Å R-free 0.246 |
| 8FRI LSD1-CoREST in complex with AW4, short soaking 提交 2023-01-07 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 M Sodium/Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.80 Å R-free 0.241 |
| 8FRQ LSD1-CoREST in complex with T14, long soaking 提交 2023-01-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.89 Å R-free 0.241 |
| 8FRV LSD1-CoREST in complex with T17, short soaking 提交 2023-01-09 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；1.2 Sodium/Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.72 Å R-free 0.248 |
| 8FSK LSD1-CoREST in complex with T18, short soaking 提交 2023-01-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Sodium/Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 3.13 Å R-free 0.223 |
| 8GJ6 LSD1-CoREST in complex with T16 提交 2023-03-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Sodium/Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.77 Å R-free 0.251 |
| 8INL LSD1 in complex with S2172 提交 2023-03-10 | Assembly 1 蛋白单体 单体；蛋白 × 1 PDB 声明：monomeric（1） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
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
|
分辨率 2.62 Å R-free 0.216 |
| 8JF5 Crystal structure of Lysine Specific Demethylase 1 (LSD1) with TAS1440 提交 2023-05-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
172–833（662 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION；pH 6.5；293 K；100mM ADA pH6.5, 1.22M Na/K Tartrate
|
分辨率 3.20 Å R-free 0.230 |
| 8Q1G LSD1-CoREST bound to Acetylated K14 of Histone H3 提交 2023-07-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Sodium Tartrate 1.2M, ADA 0.1M,
|
分辨率 2.60 Å R-free 0.255 |
| 8Q1H LSD1 Y391K-CoREST bound to Histone H3 N-terminal tail 提交 2023-07-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Sodium Tartrate 1.2 M, ADA 0.1M
|
分辨率 2.90 Å R-free 0.254 |
| 8Q1J LSD1 Y391K-CoREST bound to Acetylated K14 of Histone H3 提交 2023-07-31 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | FAD FLAVIN-ADENINE DINUCLEOTIDE × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；Sodium Tartate 1.2 M, ADA 0.1M
|
分辨率 2.87 Å R-free 0.272 |
| 8UL6 LSD1-CoREST in complex with T16, long soaking 提交 2023-10-16 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.74 Å R-free 0.241 |
| 8UL8 LSD1-CoREST in complex with T15, short soaking 提交 2023-10-16 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.82 Å R-free 0.247 |
| 8ULB LSD1-CoREST in complex with T17, long soaking 提交 2023-10-16 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.2 M Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 3.41 Å R-free 0.216 |
| 8ULC LSD1-CoREST in complex with T15, long soaking 提交 2023-10-16 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.2 M Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.82 Å R-free 0.255 |
| 8ULZ LSD1-CoREST in complex with T18 and SNAG peptide 提交 2023-10-17 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.2 Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 3.32 Å R-free 0.231 |
| 8UMQ LSD1-CoREST in complex with T18, long soaking 提交 2023-10-18 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.2 Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 3.26 Å R-free 0.209 |
| 8UNI LSD1-CoREST with N-formyl-FAD in complex with H3K4M histone tail 提交 2023-10-19 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.2 M Sodium Potassium Tartrate, 100 mM ADA pH 6.5
|
分辨率 3.40 Å R-free 0.252 |
| 8UOM LSD1-CoREST with N-formyl-FAD in complex with H3dimeK4 histone tail 提交 2023-10-20 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 3.20 Å R-free 0.240 |
| 8YM7 Crystal structure of Lysine Specific Demethylase 1 (LSD1) with JH-45 提交 2024-03-08 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
173–832（660 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M Sodium acetate pH 4.6
1.2 M Sodium malonate
|
分辨率 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 提交 2024-08-23 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
172–831（660 aa）
|
突变：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结晶条件
VAPOR DIFFUSION, HANGING DROP；293 K；100 mM ADA, 1.2 - 1.6M N/K and 3% w/v D-(+)-Glucose monohydrate
|
分辨率 2.66 Å R-free 0.250 |
| 9DWU CoREST complex bound to U2AF2 提交 2024-10-10 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 3 PDB 声明：trimeric（3） 与蛋白数一致 |
链 A
171–836（666 aa）
片段：UNP residues 171-836
|
未记录 | 未记录非水小分子 | ELECTRON MICROSCOPY |
cryo-EM缓冲液
pH 8
cryo-EM玻璃化条件
冷冻剂 ETHANE
|
分辨率 5.14 Å |
| 9EL7 LSD1-CoREST in complex with T105 enantiomer (1R,2S) 提交 2024-12-04 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；300 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.87 Å R-free 0.242 |
| 9EL8 LSD1-CoREST in complex with T105 1S2R enantiomer 提交 2024-12-04 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；300 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.91 Å R-free 0.244 |
| 9ELA LSD1-CoREST in complex with T108, long soaking 提交 2024-12-04 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；300 K；1.2 Na/K Tartrate, 100 mM ADA pH 6.5
|
分辨率 2.85 Å R-free 0.243 |
| 9F0A N5 Adduct of LSD1-CoREST in complex with MC4455 提交 2024-04-15 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
123–852（730 aa）
|
未记录 | 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结晶条件
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；1.2 M Sodium Tartrate, 0.1 M ADA, pH 6.5
|
分辨率 3.36 Å R-free 0.234 |
| 9FWG LSD1/CoREST bound to bomedemstat 提交 2024-06-30 | Assembly 1 蛋白异源复合物 异源复合物；蛋白 × 2 PDB 声明：dimeric（2） 与蛋白数一致 |
链 A
1–852（852 aa）
|
未记录 | A1IG2 Bomedemstat FAD adduct × 1 | X-RAY DIFFRACTION |
X-ray结晶条件
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
|
分辨率 3.20 Å R-free 0.227 |