ATPase family AAA domain-containing protein 2
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 981–1108 | Fragment：UNP residues 981-1108 | 5UE [(2~{R})-1-[(4-ethanoyl-1,3-thiazol-2-yl)amino]-1-oxidanylidene-propan-2-yl]azanium × 1 SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5 | Resolution 1.50 Å R-free 0.190 |
Other States of the Same Protein in the Database
Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.
| Other PDB | Difference from Current Entry 5F36 | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 3DAI Crystal structure of the bromodomain of the human ATAD2 Deposited 2008-05-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：Residues 981-1108
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.95 Å R-free 0.240 |
| 4QSP Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with acetyl-lysine Deposited 2014-07-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | ALY N(6)-ACETYLLYSINE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.60 Å R-free 0.194 |
| 4QSP Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with acetyl-lysine Deposited 2014-07-06 | 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 A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | ALY N(6)-ACETYLLYSINE × 2 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 18 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.60 Å R-free 0.194 |
| 4QSQ Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound DMSO Deposited 2014-07-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.80 Å R-free 0.194 |
| 4QSR Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound MPD Deposited 2014-07-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.00 Å R-free 0.198 |
| 4QSR Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) with bound MPD Deposited 2014-07-06 | 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 A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 6 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.00 Å R-free 0.198 |
| 4QSS Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP) Deposited 2014-07-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 2 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 3 GOL GLYCEROL × 1 MB3 1-methylpyrrolidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.00 Å R-free 0.192 |
| 4QSS Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with N-Methyl-2-pyrrolidone (NMP) Deposited 2014-07-06 | 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 A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 4 MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 6 GOL GLYCEROL × 2 MB3 1-methylpyrrolidin-2-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 45-50% MPD, 0.1 M bis-tris pH 5.5, 0.1 M ammonium phosphate, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.00 Å R-free 0.192 |
| 4QST Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one Deposited 2014-07-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | 12Q 1-METHYLQUINOLIN-2(1H)-ONE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 15 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.05 Å R-free 0.222 |
| 4QST Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 1-methylquinolin 2-one Deposited 2014-07-06 | 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 A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | 12Q 1-METHYLQUINOLIN-2(1H)-ONE × 2 SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 30 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.05 Å R-free 0.222 |
| 4QSU Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine Deposited 2014-07-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 7 TDR THYMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.90 Å R-free 0.203 |
| 4QSU Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymine Deposited 2014-07-06 | 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 A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 4 EDO 1,2-ETHANEDIOL × 14 TDR THYMINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.90 Å R-free 0.203 |
| 4QSV Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with thymidine Deposited 2014-07-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 8 THM THYMIDINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.90 Å R-free 0.212 |
| 4QSW Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 5-methyl uridine Deposited 2014-07-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 5 38T 5-methyluridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.80 Å R-free 0.205 |
| 4QSX Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) in complex with 3'-deoxy thymidine Deposited 2014-07-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 5 38S 1-[(2R,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-5-methylpyrimidine-2,4(1H,3H)-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.93 Å R-free 0.207 |
| 4QUT Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)12 Deposited 2014-07-12 | 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
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 11 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.70 Å R-free 0.180 |
| 4QUU Structure of the bromodomain of human ATPase family AAA domain-containing protein 2 (ATAD2) complexed with Histone H4-K(ac)5 Deposited 2014-07-12 | 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
981–1108（128 aa）
Fragment：bromodomain (residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 9 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277.15 K；apo crystals grew in 1.8-2.2 M ammonium sulphate, 0.1 M Bis-Tris, pH 5.5-6.5. Soaking performed in 28-32% PEG 3350, 50 mM bis-tris pH 5.5, 50 mM ammonium phosphate and 20% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.80 Å R-free 0.200 |
| 4TT2 Crystal structure of ATAD2A bromodomain complexed with H4(1-20)K5Ac peptide Deposited 2014-06-19 | 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
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；278 K；0.1M Ammonium Acetate, 100mM Bis-Tris pH5.5, 15-20% (w/v) PEG 10000
|
Resolution 2.50 Å R-free 0.267 |
| 4TT4 Crystal structure of ATAD2A bromodomain complexed with H3(1-21)K14Ac peptide Deposited 2014-06-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
Chain B
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 4 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；278 K；2.0M Ammonium sulfate, 100mM Tris pH8.5.
|
Resolution 2.70 Å R-free 0.240 |
| 4TT6 Crystal structure of ATAD2A bromodomain double mutant N1063A-Y1064A in apo form Deposited 2014-06-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Mutation：N1063A and Y1064A | SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；278 K；2.0M Ammonium sulfate, 0.1M Bis-Tris pH5.5
|
Resolution 2.00 Å R-free 0.177 |
| 4TTE Crystal structure of ATAD2A bromodomain complexed with methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate Deposited 2014-06-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 CL CHLORIDE ION × 1 GOL GLYCEROL × 1 36Z methyl 3-amino-5-(3,5-dimethyl-1,2-oxazol-4-yl)benzoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；2.1-2.4M Ammonium Sulfate, 0.1M Bis-Tris pH5.5, 10% Glycerol
|
Resolution 1.80 Å R-free 0.197 |
| 4TU4 Crystal structure of ATAD2A bromodomain complexed with 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoicacid Deposited 2014-06-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 GOL GLYCEROL × 2 37N 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-[(phenylsulfonyl)amino]benzoic acid × 1 CL CHLORIDE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；2.1-2.4M Ammonium Sulfate, 0.1M Bis-Tris pH 5.5, 10% Glycerol.
|
Resolution 1.73 Å R-free 0.197 |
| 4TU6 Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation Deposited 2014-06-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；273 K；0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG3350
|
Resolution 2.27 Å R-free 0.248 |
| 4TU6 Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation Deposited 2014-06-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；273 K；0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG3350
|
Resolution 2.27 Å R-free 0.248 |
| 4TU6 Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation Deposited 2014-06-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；273 K；0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG3350
|
Resolution 2.27 Å R-free 0.248 |
| 4TU6 Crystal structure of apo ATAD2A bromodomain with N1064 alternate conformation Deposited 2014-06-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；273 K；0.2 M Ammonium sulfate, 0.1M Bis-Tris pH 5.5, 25% w/v PEG3350
|
Resolution 2.27 Å R-free 0.248 |
| 4TYL Fragment-Based Screening of the Bromodomain of ATAD2 Deposited 2014-07-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：UNP residues 981-1108
|
Not recorded | SO4 SULFATE ION × 1 CL CHLORIDE ION × 4 39O 5-amino-1,3,6-trimethyl-1,3-dihydro-2H-benzimidazol-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；291 K；0.1 M Bis-Tris, pH 5.5, 2.5 M (NH4)2SO4. Ligand-free crystals grown at 277K, then soaked with ligand at 291K
|
Resolution 1.85 Å R-free 0.197 |
| 4TZ2 Fragment-Based Screening of the Bromodomain of ATAD2 Deposited 2014-07-09 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：UNP residues 981-1108
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | SO4 SULFATE ION × 1 TRS 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 CL CHLORIDE ION × 2 39R 3-(5-phenyl-4H-1,2,4-triazol-3-yl)aniline × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.1 M Bis-Tris, pH 6.0, 2.2 M (NH4)2SO4, 10% glycerol
|
Resolution 1.70 Å R-free 0.201 |
| 4TZ8 Structure of human ATAD2 bromodomain bound to fragment inhibitor Deposited 2014-07-09 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：UNP residues 981-1108
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 39U 2-amino-7,7-dimethyl-5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepin-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.1 M Bis-Tris, pH 5.5, 2.5 M (NH4)2SO4, crystals generated at 277 K, fragment soaked at 291 K overnight
|
Resolution 2.15 Å R-free 0.231 |
| 5A5O Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 1,2-dihydroquinolin-2-one Deposited 2015-06-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：BROMODOMAIN, UNP RESIDUES 981-1108
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 J5I 3-METHYL-1,2-DIHYDROQUINOLIN-2-ONE × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE,20-25% PEG3350
|
Resolution 2.04 Å R-free 0.199 |
| 5A5P Crystal structure of human ATAD2 bromodomain in complex with 8-2-(dimethylamino)ethylamino-3-methyl-1,2-dihydroquinolin-2-one Deposited 2015-06-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：BROMODOMAIN, RESIDUES 981-1108
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 JTF 8-{[2-(dimethylamino)ethyl]amino}-3-methyl-1,2-dihydroquinolin-2-one × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE,20-25% PEG3350
|
Resolution 2.03 Å R-free 0.208 |
| 5A5Q Crystal structure of human ATAD2 bromodomain in complex with 3-methyl- 8-piperidin-4-ylamino-1,2-dihydro-1,7-naphthyridin-2-one hydrochloride Deposited 2015-06-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：BROMODOMAIN, RESIDUES 981-1108
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 6XC 3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE,20-25% PEG3350
|
Resolution 1.97 Å R-free 0.252 |
| 5A5R Crystal structure of human ATAD2 bromodomain in complex with 5-5- methoxypyridin-3-yl-3-methyl-8-piperidin-4-ylamino-1,2-dihydro-1,7- naphthyridin-2-one Deposited 2015-06-20 | 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
981–1108（128 aa）
Fragment：BROMODOMAIN, RESIDUES 981-1108
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 NP8 5-(5-methoxypyridin-3-yl)-3-methyl-8-[(piperidin-4-yl)amino]-1,2-dihydro-1,7-naphthyridin-2-one × 2 SO4 SULFATE ION × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
0.1M TRISHCL PH 7.0-8.0, 1.2-1.5M AMMONIUM SULPHATE,20-25% PEG3350
|
Resolution 2.01 Å R-free 0.200 |
| 5A81 Crystal structure of human ATAD2 bromodomain in complex with 8-(3R,4R) -3-(cyclohexylmethoxy)piperidin-4-yl-amino-3-methyl-1,2-dihydro-1,7- naphthyridin-2-one Deposited 2015-07-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：BROMODOMAIN, RESIDUES 981-1108
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 78J (3R,4R)-3-(cyclohexylmethoxy)piperidin-4-yl]amino}-3-methyl-1,2-dihydro-1,7-naphthyridin-2-one × 1 SO4 SULFATE ION × 2 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.03 Å R-free 0.219 |
| 5EPB Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49 Deposited 2015-11-11 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：UNP residues 981-1108
|
Not recorded | 5QW ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.50 Å R-free 0.186 |
| 5F3A Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14 Deposited 2015-12-02 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：UNP residues 981-1108
|
Not recorded | SO4 SULFATE ION × 1 5U9 ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.60 Å R-free 0.210 |
| 5LJ0 Crystal structure of human ATAD2 bromodomain in complex with 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one Deposited 2016-07-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 6XX 8-(((3R,4R,5S)-3-((4,4-difluorocyclohexyl)methoxy)-5-methoxypiperidin-4-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)-1,7-naphthyridin-2(1H)-one × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M trisHCl, pH 7.0-8.0, 1.2-1.5M ammonium sulphate, 20-25% PEG3350,277K
|
Resolution 1.82 Å R-free 0.183 |
| 5QXI PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC587 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RGY (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol × 1 TQS (4R,4aR,7aS,9R)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.64 Å R-free 0.177 |
| 5QXJ PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC578 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RGV (3aS,8S,9aS)-10-methyl-4-oxo-1,4,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrole-2(3H)-carbaldehyde × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.46 Å R-free 0.188 |
| 5QXK PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC581 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RGM (3aS,8S,9aS)-2-acetyl-10-methyl-2,3,6,8,9,9a-hexahydro-3a,8-epiminocyclohepta[1,2-c:4,5-c']dipyrrol-4(1H)-one × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.72 Å R-free 0.184 |
| 5QXL PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF776 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RGD cyclobutyl[(2S,3aS,6aS)-6a-(2-hydroxyethyl)-2-(hydroxymethyl)hexahydro-5H-furo[2,3-c]pyrrol-5-yl]methanone × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.57 Å R-free 0.175 |
| 5QXM PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF789 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 6 RHJ cyclobutyl[(3aS,4R,5R,7S,8aS)-4,5-dihydroxyhexahydro-1H-3a,7-epoxycyclohepta[c]pyrrol-2(3H)-yl]methanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.50 Å R-free 0.179 |
| 5QXN PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF826 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RHG (3aR,8S,9aS)-2-[(trifluoromethyl)sulfonyl]decahydro-3a,8-epoxypyrrolo[3,4-c]azocine × 3 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.41 Å R-free 0.190 |
| 5QXO PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF848 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 RH7 methyl (5aS,8aS,10S)-8,8a,9,10-tetrahydro-5H-5a,10-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-b]pyrazine-7(6H)-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.47 Å R-free 0.187 |
| 5QXP PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ732 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RH4 methyl (2R)-3-(furan-2-yl)-2-(pyridin-4-yl)propanoate × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.41 Å R-free 0.190 |
| 5QXQ PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with TCJ779 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RHV ethyl N-[(2R)-2-(4-methylpyridin-2-yl)propanoyl]glycinate × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.55 Å R-free 0.175 |
| 5QXR PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF849 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RHY 1-[(4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazol-6(5H)-yl]ethan-1-one × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.66 Å R-free 0.192 |
| 5QXS PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF852 Deposited 2020-03-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RJ4 (4aR,7aR,9R)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carbaldehyde × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.62 Å R-free 0.196 |
| 5QXT PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH47 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RJ7 ethyl (2S,3S)-2-fluoro-3-hydroxy-3-(pyridin-3-yl)propanoate × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.55 Å R-free 0.176 |
| 5QXU PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ373 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 5 RJD (3S,6S)-N~3~-cyclopropyl-N~1~-(cyclopropylmethyl)-3,6-dimethylpiperazine-1,3-dicarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.65 Å R-free 0.196 |
| 5QXV PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC631 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RJG (3aR,10R,10aR,11aR)-1,2,3,5,10,10a,11,11a-octahydro-3a,10-ethanopyrrolo[3',4':4,5]pyrrolo[1,2-b]isoquinolin-13-one × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.74 Å R-free 0.198 |
| 5QXW PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ189 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 RJJ (5R)-N-benzyl-5-ethyl-1-methyl-1,4-diazepane-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.78 Å R-free 0.185 |
| 5QXX PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ99 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RK1 (7R)-N-benzyl-1,7-diethyl-2,3,6,7-tetrahydro-1H-1,4-diazepine-7-carboxamide × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.58 Å R-free 0.185 |
| 5QXY PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with JKH93A Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RK7 ethyl (2R,3S)-3-(5-bromopyridin-2-yl)-2-fluoro-3-hydroxypropanoate × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.54 Å R-free 0.172 |
| 5QXZ PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with DF853 Deposited 2020-02-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 5 RKG methyl (4aS,7aS,9S)-3,4,7,7a,8,9-hexahydro-4a,9-epoxypyrrolo[3',4':4,5]cyclohepta[1,2-d]imidazole-6(5H)-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.64 Å R-free 0.180 |
| 5QY0 PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with PC591 Deposited 2020-03-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RKJ (4R,4aS,7aS,9S)-6-ethyl-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.89 Å R-free 0.185 |
| 5R4E PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ201 Deposited 2020-02-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RQP (5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.83 Å R-free 0.264 |
| 5R4F PanDDA analysis group deposition of ground-state model of ATAD2 Deposited 2020-02-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；1.6M Ammonium Sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.44 Å R-free 0.177 |
| 5R4V XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13475a Deposited 2020-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | JMM [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.29 Å R-free 0.153 |
| 5R4W XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13501a Deposited 2020-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | RWP methyl 4-[(trifluoroacetyl)amino]benzoate × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.47 Å R-free 0.161 |
| 5R4X XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13413a Deposited 2020-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | K3D 4-acetyl-N-ethylpiperazine-1-carboxamide × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.40 Å R-free 0.159 |
| 5R4Y XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13612a Deposited 2020-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | GX4 cyclopropyl-[4-(4-fluorophenyl)piperazin-1-yl]methanone × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.84 Å R-free 0.198 |
| 5R4Z XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13605a Deposited 2020-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | GWA ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；277 K；2.2M ammonium sulfate, 0.1M bis-tris pH 5.5
|
Resolution 1.46 Å R-free 0.162 |
| 6CPS Crystal structure of the bromodomain of human ATAD2 with a disulfide bridge Deposited 2018-03-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain (UNP residues 981-1108)
|
Not recorded | SO4 SULFATE ION × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES sodium, pH 7.5, 1.6 M lithium sulfate
|
Resolution 1.93 Å R-free 0.214 |
| 6EPJ The ATAD2 bromodomain in complex with compound 6 Deposited 2017-10-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | BOH (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-hydroxyphenyl)-1,3-thiazol-2-yl]propanamide × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2.0 M ammonium sulfate
0.1 M Bis-tris pH 5.5
|
Resolution 1.65 Å R-free 0.212 |
| 6EPR The ATAD2 bromodomain in complex with compound UZH-DS15 Deposited 2017-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | BQE (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5
|
Resolution 2.05 Å R-free 0.232 |
| 6EPS The ATAD2 bromodomain in complex with compound UZH-DQ41 Deposited 2017-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | BQK (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5
|
Resolution 2.08 Å R-free 0.274 |
| 6EPT The ATAD2 bromodomain in complex with compound 12 Deposited 2017-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 1 G1E (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide × 1 BQQ (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5
|
Resolution 1.65 Å R-free 0.226 |
| 6EPU The ATAD2 bromodomain in complex with compound 2 Deposited 2017-10-12 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 1 BQH (2~{S})-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.80 Å R-free 0.218 |
| 6EPV The ATAD2 bromodomain in complex with compound 5 Deposited 2017-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 1 BQT (2~{R})-2-azanyl-~{N}-(4-oxidanylidene-6,7-dihydro-5~{H}-1,3-benzothiazol-2-yl)propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5
|
Resolution 1.79 Å R-free 0.217 |
| 6EPW The ATAD2 bromodomain in complex with compound UZH-DU32 Deposited 2017-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | BQ8 (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5
|
Resolution 1.92 Å R-free 0.243 |
| 6EPX The ATAD2 bromodomain in complex with compound 3 Deposited 2017-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | BQW (2~{R})-2-carbamimidamido-~{N}-(4-ethanoyl-1,3-thiazolidin-2-yl)propanamide × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；2M ammonium sulfate, 0.1M Bis-Tris pH 5.5
|
Resolution 1.84 Å R-free 0.219 |
| 6HDN Crystal structure of human ATAD2 bromodomain in complex with 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one Deposited 2018-08-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 3 EDO 1,2-ETHANEDIOL × 2 FZB 3-methyl-8-((8-methyl-8-azabicyclooctan-3-yl)amino)-1,7-naphthyridin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；1.2-1.5M ammonium sulphate and 20-25% PEG3350.
|
Resolution 1.90 Å R-free 0.230 |
| 6HDO Crystal structure of human ATAD2 bromodomain in complex with 8-(((1R,2R,3R,5S)-2-(2-(1,1-dioxidotetrahydro-2H-thiopyran-4-yl)ethyl)-8-azabicyclo[3.2.1]octan-3-yl)amino)-3-methyl-5-(5-methylpyridin-3-yl)quinolin-2(1H)-one Deposited 2018-08-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 FZH 8-[[(1~{S},2~{R},3~{R},5~{R})-2-[2-[1,1-bis(oxidanylidene)thian-4-yl]ethyl]-8-azabicyclo[3.2.1]octan-3-yl]amino]-3-methyl-5-(5-methylpyridin-3-yl)-1~{H}-quinolin-2-one × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350
|
Resolution 2.61 Å R-free 0.232 |
| 6HI3 The ATAD2 bromodomain in complex with compound 4 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | G7B 2-azanyl-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)-2-methyl-propanamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 2.40 Å R-free 0.337 |
| 6HI4 The ATAD2 bromodomain in complex with compound 7 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | G5W (2~{R})-2-azanyl-~{N}-[4-ethanoyl-5-(3-methoxyphenyl)-1,3-thiazol-2-yl]propanamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.69 Å R-free 0.221 |
| 6HI5 The ATAD2 bromodomain in complex with compound 8 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 G6E (2~{R})-2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]propanamide × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.59 Å R-free 0.218 |
| 6HI6 The ATAD2 bromodomain in complex with compound 9 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 G5Z (2~{R})-2-azanyl-~{N}-(4-ethanoyl-5-pyridin-3-yl-1,3-thiazol-2-yl)propanamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.64 Å R-free 0.235 |
| 6HI7 The ATAD2 bromodomain in complex with compound 10 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 G6B (2~{R})-~{N}-[5-(3-aminophenyl)-4-ethanoyl-1,3-thiazol-2-yl]-2-azanyl-propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.74 Å R-free 0.215 |
| 6HI8 The ATAD2 bromodomain in complex with compound 11 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 1 G6W 2-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-methyl-propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.90 Å R-free 0.207 |
| 6HIA The ATAD2 bromodomain in complex with compound 13 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | G7N (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]-2-carbamimidamido-propanamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.90 Å R-free 0.232 |
| 6HIB The ATAD2 bromodomain in complex with compound 14 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | G6Z 1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 2.03 Å R-free 0.231 |
| 6HIC The ATAD2 bromodomain in complex with compound 15 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | G7H (2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.77 Å R-free 0.225 |
| 6HID The ATAD2 bromodomain in complex with compound 16 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 1 G7E ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 1.77 Å R-free 0.243 |
| 6HIE The ATAD2 bromodomain in complex with compound 17 Deposited 2018-08-29 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | G7Q (2~{R})-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]-~{N}-(4-ethanoyl-1,3-thiazol-2-yl)piperazine-2-carboxamide × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；2M (NH4)2SO4, 0.1M Bis-Tris pH 5.5
|
Resolution 2.05 Å R-free 0.239 |
| 6S55 Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-((3-methylpiperidin-1-yl)sulfonyl)phenyl)-2-(2,5-dioxoimidazolidin-1-yl)acetamide Deposited 2019-06-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 2 KW5 2-[2,5-bis(oxidanylidene)imidazolidin-1-yl]-~{N}-[4-bromanyl-3-[(3~{S})-3-methylpiperidin-1-yl]sulfonyl-phenyl]ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；278 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350
|
Resolution 2.09 Å R-free 0.243 |
| 6S56 Crystal structure of human ATAD2 bromodomain in complex with N-(4-chloro-3-(N,N-dimethylsulfamoyl)phenyl)-2-(2,5-dioxo-3',4'-dihydro-2'H-spiro[imidazolidine-4,1'-naphthalen]-1-yl)acetamide Deposited 2019-06-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 2 KVZ 2-[(4~{R})-2',5'-bis(oxidanylidene)spiro[2,3-dihydro-1~{H}-naphthalene-4,4'-imidazolidine]-1'-yl]-~{N}-[4-chloranyl-3-(dimethylsulfamoyl)phenyl]ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；278 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350
|
Resolution 2.01 Å R-free 0.276 |
| 6S57 Crystal structure of human ATAD2 bromodomain in complex withN-(3-(azepan-1-ylsulfonyl)-4-methylphenyl)-2-(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)acetamide Deposited 2019-06-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 KVT ~{N}-[3-(azepan-1-ylsulfonyl)-4-methyl-phenyl]-2-[4,4-dimethyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；278 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate and 20-25% PEG3350
|
Resolution 1.82 Å R-free 0.200 |
| 6YB4 Crystal structure of human ATAD2 bromodomain in complex with N-(4-bromo-3-(3-methylpyrrolidin-1-yl)sulfonyl)phenyl)-2-(-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetamide Deposited 2020-03-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 3 OJH ~{N}-[4-bromanyl-3-[(3~{S})-3-methylpyrrolidin-1-yl]sulfonyl-phenyl]-2-[(4~{R})-4-cyclopropyl-4-methyl-2,5-bis(oxidanylidene)imidazolidin-1-yl]ethanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M trisHCl pH 7.0-8.0, 1.2-1.5M ammonium sulphate
|
Resolution 1.85 Å R-free 0.215 |
| 7M98 ATAD2 bromodomain complexed with histone H4K5ac (res 1-10) ligand Deposited 2021-03-30 | 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
966–1112（147 aa）
|
Mutation：C1101A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；2.0 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, pH 6.6
|
Resolution 1.60 Å R-free 0.219 |
| 7PPX ATAD2 in complex with FragLite3 Deposited 2021-09-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 7ZX 4-bromanyl-1,2-oxazole × 1 EDO 1,2-ETHANEDIOL × 12 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M HEPES pH 7.0, 2.4 AmSO4, ATAD2~5 mg mL-1.
|
Resolution 1.35 Å R-free 0.231 |
| 7PX5 ATAD2 in complex with 1-Methyl-2-quinolone Deposited 2021-10-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
|
Not recorded | 12Q 1-METHYLQUINOLIN-2(1H)-ONE × 1 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 2.18 Å R-free 0.246 |
| 7Q6T Crystal structure of the bromodomain of ATAD2 with AZ13824374 Deposited 2021-11-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 96L (1R,9S,12R)-13-[[8-[[1-(2-fluoranyl-2-methyl-propyl)piperidin-4-yl]amino]-3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-12-propan-2-yl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.25；293 K；ATAD2 (981-1108) at 12 mg/ml in 25 mM Tris pH 9.7, 300 mM NaCl, 0.5 mM TCEP crystallised from 20% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.25. Ligands were introduced by soaking, cryo-protection with 20 % glycerol.
|
Resolution 2.05 Å R-free 0.215 |
| 7Q6U Crystal structure of the bromodomain of ATAD2 with phenol HTS hit (cpd 6) Deposited 2021-11-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 3 963 (1R,9S)-13-(3,5-dimethoxy-4-oxidanyl-phenyl)carbonyl-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.25；298 K；ATAD2 (981-1108) at 12 mg/ml in 25 mM Tris pH 9.7, 300 mM NaCl, 0.5 mM TCEP crystallised from 20% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.25. Ligands were introduced by soaking, cryo-protection with 20 % glycerol.
|
Resolution 1.95 Å R-free 0.199 |
| 7Q6V Crystal structure of the bromodomain of ATAD2 with triazolopyridine (cpd 14) Deposited 2021-11-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 3 95O (1R,9S)-13-[(8-azanyl-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.25；293 K；ATAD2 (981-1108) at 12 mg/ml in 25 mM Tris pH 9.7, 300 mM NaCl, 0.5 mM TCEP crystallised from 20% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.25. Ligands were introduced by soaking, cryo-protection with 20 % glycerol.
|
Resolution 1.96 Å R-free 0.206 |
| 7Q6W Crystal structure of the bromodomain of ATAD2 with triazolopyridazine (cpd 22) Deposited 2021-11-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 3 93L (1R,9S)-13-[[3-methyl-8-[(1-methylpiperidin-4-yl)amino]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]carbonyl]-11,13-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4,6-trien-10-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.25；293 K；ATAD2 (981-1108) at 12 mg/ml in 25 mM Tris pH 9.7, 300 mM NaCl, 0.5 mM TCEP crystallised from 20% PEG 3350, 0.2 M ammonium sulfate, 0.1 M Bis-Tris pH 6.25. Ligands were introduced by soaking, cryo-protection with 20 % glycerol.
|
Resolution 1.96 Å R-free 0.210 |
| 7QU7 ATAD2 in complex with FragLite16 Deposited 2022-01-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 HH8 4-bromanyl-1,8-naphthyridine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 2.13 Å R-free 0.281 |
| 7QUK ATAD2 in complex with FragLite1 Deposited 2022-01-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 BYZ 4-bromo-1H-pyrazole × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.47 Å R-free 0.230 |
| 7QUM ATAD2 in complex with FragLite2 Deposited 2022-01-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 6 PYZ 4-IODOPYRAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.50 Å R-free 0.223 |
| 7QWO ATAD2 in complex with FragLite6 Deposited 2022-01-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 HGQ 4-bromanyl-1~{H}-pyridin-2-one × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.50 Å R-free 0.273 |
| 7QX1 ATAD2 in complex with FragLite7 Deposited 2022-01-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 HHQ 4-iodanyl-3~{H}-pyridin-2-one × 2 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.49 Å R-free 0.242 |
| 7QXT ATAD2 in complex with FragLite10 Deposited 2022-01-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 1P8 6-bromo-1,3-dihydro-2H-indol-2-one × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.51 Å R-free 0.256 |
| 7QYK ATAD2 in complex with FragLite18 Deposited 2022-01-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 8 IJF (4-bromanylpyridin-2-yl)methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.43 Å R-free 0.212 |
| 7QYL ATAD2 in complex with FragLite23 Deposited 2022-01-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 UU1 2-(4-bromo-1H-pyrazol-1-yl)ethan-1-ol × 2 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.44 Å R-free 0.244 |
| 7QZM ATAD2 in complex with FragLite28 Deposited 2022-01-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 8 UUS 4-bromo-1-(2-hydroxyethyl)pyridin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.45 Å R-free 0.242 |
| 7QZY ATAD2 in complex with FragLite29 Deposited 2022-02-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 7 V3U 4-bromanyl-1-(2-methoxyethyl)pyridin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.93 Å R-free 0.245 |
| 7QZZ ATAD2 in complex with FragLite31 Deposited 2022-02-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 2 HHT 2-(4-bromanyl-2-methoxy-phenyl)ethanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 2.52 Å R-free 0.240 |
| 7R00 ATAD2 in complex with FragLite33 Deposited 2022-02-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 HWC 3-azanyl-5-bromanyl-1-methyl-pyridin-2-one × 1 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.48 Å R-free 0.237 |
| 7R05 ATAD2 in complex with PepLite-Ile Deposited 2022-02-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 2 HQX (2~{S},3~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)-3-methyl-pentanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.53 Å R-free 0.216 |
| 7R0Y ATAD2 in complex with PepLite-Glu Deposited 2022-02-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 HNU (2~{S})-2-acetamido-~{N}-prop-2-enyl-pentanediamide × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.43 Å R-free 0.213 |
| 7Z9H ATAD2 in complex with PepLite-Asp Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 IIV (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)butanediamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.34 Å R-free 0.227 |
| 7Z9I ATAD2 in complex with PepLite-Ala Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 2 IJR (2~{S})-2-acetamido-~{N}-(3-bromanylprop-2-ynyl)propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.50 Å R-free 0.219 |
| 7Z9J ATAD2 in complex with PepLite-Gly Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 IIY (~{N}~{E})-2-acetamido-~{N}-prop-2-enylidene-ethanamide × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.90 Å R-free 0.221 |
| 7Z9N ATAD2 in complex with PepLite-Val Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 IJ3 (2~{S})-2-acetamido-~{N}-(3-bromanylpropyl)-3-methyl-butanamide × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.34 Å R-free 0.227 |
| 7Z9O ATAD2 in complex with PepLite-Tyr Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 4 IK3 (2~{S})-2-acetamido-3-(4-hydroxyphenyl)-~{N}-prop-2-enyl-propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.47 Å R-free 0.218 |
| 7Z9S ATAD2 in complex with PepLite-Arg Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 IJI (2~{S})-2-acetamido-5-carbamimidamido-~{N}-prop-2-enyl-pentanamide × 1 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.50 Å R-free 0.236 |
| 7Z9U ATAD2 in complex with Acetyl-Lys Deposited 2022-03-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
981–1108（128 aa）
Fragment：bromodomain
|
Not recorded | ARG ARGININE × 1 SO4 SULFATE ION × 2 CL CHLORIDE ION × 1 EDO 1,2-ETHANEDIOL × 5 8WS (2S)-2,6-diacetamido-N-methyl-hexanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.1M BisTris pH 6-7, 1.7-2.1M Ammonium sulphate
|
Resolution 1.76 Å R-free 0.227 |
| 8H3H Human ATAD2 Walker B mutant, ATP state Deposited 2022-10-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
403–983（581 aa）
Chain A
1118–1297（180 aa）
Chain A
1321–1390（70 aa）
Chain B
403–983（581 aa）
Chain B
1118–1297（180 aa）
Chain B
1321–1390（70 aa）
Chain C
403–983（581 aa）
Chain C
1118–1297（180 aa）
Chain C
1321–1390（70 aa）
Chain D
403–983（581 aa）
Chain D
1118–1297（180 aa）
Chain D
1321–1390（70 aa）
Chain E
403–983（581 aa）
Chain E
1118–1297（180 aa）
Chain E
1321–1390（70 aa）
Chain F
403–983（581 aa）
Chain F
1118–1297（180 aa）
Chain F
1321–1390（70 aa）
|
Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q | ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.15 Å |
| 8JUW Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state Deposited 2023-06-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
403–983（581 aa）
Chain A
1118–1297（180 aa）
Chain A
1321–1390（70 aa）
Chain B
403–983（581 aa）
Chain B
1118–1297（180 aa）
Chain B
1321–1390（70 aa）
Chain C
403–983（581 aa）
Chain C
1118–1297（180 aa）
Chain C
1321–1390（70 aa）
Chain D
403–983（581 aa）
Chain D
1118–1297（180 aa）
Chain D
1321–1390（70 aa）
Chain E
403–983（581 aa）
Chain E
1118–1297（180 aa）
Chain E
1321–1390（70 aa）
Chain F
403–983（581 aa）
Chain F
1118–1297（180 aa）
Chain F
1321–1390（70 aa）
|
Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q | ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.79 Å |
| 8JUY Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state (Class II) Deposited 2023-06-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
403–983（581 aa）
Chain A
1118–1297（180 aa）
Chain A
1321–1390（70 aa）
Chain B
403–983（581 aa）
Chain B
1118–1297（180 aa）
Chain B
1321–1390（70 aa）
Chain C
403–983（581 aa）
Chain C
1118–1297（180 aa）
Chain C
1321–1390（70 aa）
Chain D
403–983（581 aa）
Chain D
1118–1297（180 aa）
Chain D
1321–1390（70 aa）
Chain E
403–983（581 aa）
Chain E
1118–1297（180 aa）
Chain E
1321–1390（70 aa）
Chain F
403–983（581 aa）
Chain F
1118–1297（180 aa）
Chain F
1321–1390（70 aa）
|
Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q | ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.34 Å |
| 8JUZ Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state (Class III) Deposited 2023-06-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
403–983（581 aa）
Chain A
1118–1297（180 aa）
Chain A
1321–1390（70 aa）
Chain B
403–983（581 aa）
Chain B
1118–1297（180 aa）
Chain B
1321–1390（70 aa）
Chain C
403–983（581 aa）
Chain C
1118–1297（180 aa）
Chain C
1321–1390（70 aa）
Chain D
403–983（581 aa）
Chain D
1118–1297（180 aa）
Chain D
1321–1390（70 aa）
Chain E
403–983（581 aa）
Chain E
1118–1297（180 aa）
Chain E
1321–1390（70 aa）
Chain F
403–983（581 aa）
Chain F
1118–1297（180 aa）
Chain F
1321–1390（70 aa）
|
Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q Mutation：E532Q | ADP ADENOSINE-5'-DIPHOSPHATE × 1 ATP ADENOSINE-5'-TRIPHOSPHATE × 5 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.29 Å |
| 8RU5 ATPase family AAA domain containing 2 with crystallization epitope mutations V1022R:Q1027E Deposited 2024-01-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；20% PEG6000
10% ethylene glycol
0.1M tris pH 7.5
0.1M calcium chloride
|
Resolution 1.36 Å R-free 0.221 |
| 8SDO ATAD2 bromodomain in complex with "oncohistone" mutation H4S1CK5ac (res 1-15) ligand Deposited 2023-04-07 | 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
966–1112（147 aa）
|
Mutation：C1101A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；2.4 M sodium phosphate monobasic monohydrate/potassium phosphate dibasic, pH 6.4
|
Resolution 2.01 Å R-free 0.231 |
| 8SDQ ATAD2 bromodomain in complex with H4S1phK5ac (res 1-15) ligand Deposited 2023-04-07 | 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
966–1112（147 aa）
|
Mutation：C1101A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；60% v/v TascimateTM pH 7.0
|
Resolution 1.85 Å R-free 0.238 |
116 other PDB entries and 124 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | ATAD2_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 3–130； UniProt 981–1108 |
