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 homooligomer Homooligomer Protein × 6 PDB declaration: hexameric（6） Consistent with protein copy count | Chain A； UniProt 403–983 Chain A； UniProt 1118–1297 Chain A； UniProt 1321–1390 Chain B； UniProt 403–983 Chain B； UniProt 1118–1297 Chain B； UniProt 1321–1390 Chain C； UniProt 403–983 Chain C； UniProt 1118–1297 Chain C； UniProt 1321–1390 Chain D； UniProt 403–983 Chain D； UniProt 1118–1297 Chain D； UniProt 1321–1390 Chain E； UniProt 403–983 Chain E； UniProt 1118–1297 Chain E； UniProt 1321–1390 Chain F； UniProt 403–983 Chain F； UniProt 1118–1297 Chain F； UniProt 1321–1390 | 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 |
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 8JUW | 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 method 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 oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 |
| 5F36 Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12 Deposited 2015-12-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
981–1108（128 aa）
Fragment：UNP residues 981-1108
|
Not recorded | 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 |
| 5F3A Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14 Deposited 2015-12-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 method 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain 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 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 |
| 8JUY Human ATAD2 Walker B mutant-H3/H4K5Q complex, ATP state (Class II) Deposited 2023-06-27 | 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 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 mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
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 method 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 method 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 1–581； UniProt 403–983 Author chain A； PDBConstruct 582–761； UniProt 1118–1297 Author chain A； PDBConstruct 762–831； UniProt 1321–1390 Author chain B； PDBConstruct 1–581； UniProt 403–983 Author chain B； PDBConstruct 582–761； UniProt 1118–1297 Author chain B； PDBConstruct 762–831； UniProt 1321–1390 Author chain C； PDBConstruct 1–581； UniProt 403–983 Author chain C； PDBConstruct 582–761； UniProt 1118–1297 Author chain C； PDBConstruct 762–831； UniProt 1321–1390 Author chain D； PDBConstruct 1–581； UniProt 403–983 Author chain D； PDBConstruct 582–761； UniProt 1118–1297 Author chain D； PDBConstruct 762–831； UniProt 1321–1390 Author chain E； PDBConstruct 1–581； UniProt 403–983 Author chain E； PDBConstruct 582–761； UniProt 1118–1297 Author chain E； PDBConstruct 762–831； UniProt 1321–1390 Author chain F； PDBConstruct 1–581； UniProt 403–983 Author chain F； PDBConstruct 582–761； UniProt 1118–1297 Author chain F； PDBConstruct 762–831； UniProt 1321–1390 |
