Bromodomain-containing protein 2
Homo sapiens
State in the Current Structure
| Assembly | Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Associated Components | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|
| 1 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain A； UniProt 348–455 | Not recorded | HWV N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；290 K；Protein Buffer: 10 mM HEPES, pH 7.5, 300 mM NaCl, 0.5mM TCEP Reservoir: 20% PEG 8000, 0.2 M NaCl, 0.1 Cacodylate, pH 5.5 | Resolution 2.44 Å R-free 0.238 |
| 2 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain B； UniProt 348–455 | Not recorded | HWV N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；290 K；Protein Buffer: 10 mM HEPES, pH 7.5, 300 mM NaCl, 0.5mM TCEP Reservoir: 20% PEG 8000, 0.2 M NaCl, 0.1 Cacodylate, pH 5.5 | Resolution 2.44 Å R-free 0.238 |
| 3 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain C； UniProt 348–455 | Not recorded | HWV N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；290 K；Protein Buffer: 10 mM HEPES, pH 7.5, 300 mM NaCl, 0.5mM TCEP Reservoir: 20% PEG 8000, 0.2 M NaCl, 0.1 Cacodylate, pH 5.5 | Resolution 2.44 Å R-free 0.238 |
| 4 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain D； UniProt 348–455 | Not recorded | HWV N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；290 K；Protein Buffer: 10 mM HEPES, pH 7.5, 300 mM NaCl, 0.5mM TCEP Reservoir: 20% PEG 8000, 0.2 M NaCl, 0.1 Cacodylate, pH 5.5 | Resolution 2.44 Å R-free 0.238 |
| 5 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain E； UniProt 348–455 | Not recorded | HWV N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；290 K；Protein Buffer: 10 mM HEPES, pH 7.5, 300 mM NaCl, 0.5mM TCEP Reservoir: 20% PEG 8000, 0.2 M NaCl, 0.1 Cacodylate, pH 5.5 | Resolution 2.44 Å R-free 0.238 |
| 6 | Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count | Chain F； UniProt 348–455 | Not recorded | HWV N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；290 K；Protein Buffer: 10 mM HEPES, pH 7.5, 300 mM NaCl, 0.5mM TCEP Reservoir: 20% PEG 8000, 0.2 M NaCl, 0.1 Cacodylate, pH 5.5 | Resolution 2.44 Å R-free 0.238 |
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 6E6J | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1X0J Crystal structure analysis of the N-terminal bromodomain of human Brd2 Deposited 2005-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Fragment：N-terminal bromodomain
Chain B
73–194（122 aa）
Fragment：N-terminal bromodomain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；PEGMME 5K, AS, pH 6.5, VAPOR DIFFUSION, temperature 298K
|
Resolution 1.80 Å R-free 0.213 |
| 1X0J Crystal structure analysis of the N-terminal bromodomain of human Brd2 Deposited 2005-03-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
Fragment：N-terminal bromodomain
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；298 K；PEGMME 5K, AS, pH 6.5, VAPOR DIFFUSION, temperature 298K
|
Resolution 1.80 Å R-free 0.213 |
| 2DVQ Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide Deposited 2006-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
73–194（122 aa）
Fragment：N-terminal bromodomain, BD1
Chain B
73–194（122 aa）
Fragment：N-terminal bromodomain, BD1
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, Co-crystallizaation；pH 6.5；298 K；PEGMME 5K, AS, pH 6.50, VAPOR DIFFUSION, Co-crystallizaation, temperature 298K
|
Resolution 2.04 Å R-free 0.248 |
| 2DVQ Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide Deposited 2006-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
Fragment：N-terminal bromodomain, BD1
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, Co-crystallizaation；pH 6.5；298 K；PEGMME 5K, AS, pH 6.50, VAPOR DIFFUSION, Co-crystallizaation, temperature 298K
|
Resolution 2.04 Å R-free 0.248 |
| 2DVR Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide Deposited 2006-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
73–194（122 aa）
Fragment：N-terminal bromodomain, BD1
Chain B
73–194（122 aa）
Fragment：N-terminal bromodomain, BD1
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, CO-CRYSTALLIZAATION；pH 6.5；298 K；PEGMME 5K, AS, pH 6.50, VAPOR DIFFUSION, CO-CRYSTALLIZAATION, temperature 298K
|
Resolution 2.30 Å R-free 0.243 |
| 2DVR Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide Deposited 2006-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
Fragment：N-terminal bromodomain, BD1
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, CO-CRYSTALLIZAATION；pH 6.5；298 K；PEGMME 5K, AS, pH 6.50, VAPOR DIFFUSION, CO-CRYSTALLIZAATION, temperature 298K
|
Resolution 2.30 Å R-free 0.243 |
| 2DVS Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide Deposited 2006-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
73–194（122 aa）
Fragment：N-terminal bromodomain, BD1
Chain B
73–194（122 aa）
Fragment：N-terminal bromodomain, BD1
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, CO-CRYSTALLIZAATION；pH 6.5；298 K；PEGMME 5K, AS, pH 6.50, VAPOR DIFFUSION, CO-CRYSTALLIZAATION, temperature 298K
|
Resolution 2.04 Å R-free 0.231 |
| 2DVS Crystal structure analysis of the N-terminal bromodomain of human BRD2 complexed with acetylated histone H4 peptide Deposited 2006-08-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
Fragment：N-terminal bromodomain, BD1
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, CO-CRYSTALLIZAATION；pH 6.5；298 K；PEGMME 5K, AS, pH 6.50, VAPOR DIFFUSION, CO-CRYSTALLIZAATION, temperature 298K
|
Resolution 2.04 Å R-free 0.231 |
| 2DVV Crystal structure of the second bromodomain of the human Brd2 protein Deposited 2006-08-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
Fragment：Residues 348-455
|
Not recorded | EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；298 K；PEG4000, AMMONIUM ACETATE, PH 6.5, VAPOR DIFFUSION, TEMPERATURE 298K
|
Resolution 1.80 Å R-free 0.239 |
| 2E3K Crystal structure of the human Brd2 second bromodomain in complexed with the acetylated histone H4 peptide Deposited 2006-11-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
348–455（108 aa）
Fragment：The second bromodomain, BD2, residues 348-455
Chain C
348–455（108 aa）
Fragment：The second bromodomain, BD2, residues 348-455
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；PEG4000, Ammonium Acetate,, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.30 Å R-free 0.268 |
| 2E3K Crystal structure of the human Brd2 second bromodomain in complexed with the acetylated histone H4 peptide Deposited 2006-11-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
348–455（108 aa）
Fragment：The second bromodomain, BD2, residues 348-455
Chain D
348–455（108 aa）
Fragment：The second bromodomain, BD2, residues 348-455
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；PEG4000, Ammonium Acetate,, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 2.30 Å R-free 0.268 |
| 2G4A Solution structure of a Bromodomain from RING3 protein Deposited 2006-02-21 | Different construct 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
348–455（108 aa）
Fragment：residues 1-116
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 5.8；298 K；Pressure 1
NMR sample composition
0.5-1.0mM 15N, 13C-labeled RING3 Bromodomain, 50mM phosphate buffer (pH 5.8), 50mM NaCl, 1mM DTT, 1mM EDTA | 90% H2O/10% D2O
NMR sample composition
0.5-1.0mM 15N, 13C-labeled RING3 Bromodomain, 50mM phosphate buffer (pH 5.8), 50mM NaCl, 1mM DTT, 1mM EDTA | 99.96% D2O
|
Resolution not provided |
| 2YDW Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GW841819X Deposited 2011-03-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
|
Not recorded | WSH BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；17.5% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M BIS TRIS PH 5.5.
|
Resolution 1.90 Å R-free 0.250 |
| 2YDW Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GW841819X Deposited 2011-03-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
|
Not recorded | WSH BENZYL [(4R)-1-METHYL-6-PHENYL-4H-[1,2,4]TRIAZOLO[4,3-A][1,4]BENZODIAZEPIN-4-YL]CARBAMATE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；17.5% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M BIS TRIS PH 5.5.
|
Resolution 1.90 Å R-free 0.250 |
| 2YEK Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GSK525762 (IBET) Deposited 2011-03-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
|
Not recorded | EAM 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；26% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M HEPES PH 7.0.
|
Resolution 1.98 Å R-free 0.201 |
| 2YEK Crystal Structure of the First Bromodomain of Human Brd2 with the inhibitor GSK525762 (IBET) Deposited 2011-03-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
|
Not recorded | EAM 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；26% PEG 3350, 0.2 M (NH4)2SO4, 0.1 M HEPES PH 7.0.
|
Resolution 1.98 Å R-free 0.201 |
| 3AQA Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 Deposited 2010-10-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
73–194（122 aa）
Fragment：residues 73-194
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | BYH 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M HEPES buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.245 |
| 3AQA Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 Deposited 2010-10-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
73–194（122 aa）
Fragment：residues 73-194
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M HEPES buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.245 |
| 3AQA Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 Deposited 2010-10-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
73–194（122 aa）
Fragment：residues 73-194
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M HEPES buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.245 |
| 3AQA Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 Deposited 2010-10-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Fragment：residues 73-194
Chain B
73–194（122 aa）
Fragment：residues 73-194
|
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) | BYH 1-[2-(1H-benzimidazol-2-ylsulfanyl)ethyl]-3-methyl-1,3-dihydro-2H-benzimidazole-2-thione × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M HEPES buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.245 |
| 3AQA Crystal structure of the human BRD2 BD1 bromodomain in complex with a BRD2-interactive compound, BIC1 Deposited 2010-10-27 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
Fragment：residues 73-194
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M HEPES buffer, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.245 |
| 4A9E N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one Deposited 2011-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | 3PF 3-methyl-3,4-dihydroquinazolin-2(1H)-one × 2 EDO 1,2-ETHANEDIOL × 4 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1 M HEPES PH 7, 24-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS.
|
Resolution 1.91 Å R-free 0.196 |
| 4A9E N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one Deposited 2011-11-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | 3PF 3-methyl-3,4-dihydroquinazolin-2(1H)-one × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1 M HEPES PH 7, 24-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS.
|
Resolution 1.91 Å R-free 0.196 |
| 4A9F N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-METHYLPYRROLIDIN-2-ONE Deposited 2011-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | MB3 1-methylpyrrolidin-2-one × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1M HEPES PH 7, 24-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS
|
Resolution 1.73 Å R-free 0.214 |
| 4A9F N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-METHYLPYRROLIDIN-2-ONE Deposited 2011-11-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | MB3 1-methylpyrrolidin-2-one × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1M HEPES PH 7, 24-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS
|
Resolution 1.73 Å R-free 0.214 |
| 4A9H N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one Deposited 2011-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 TVP (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；293 K；0.1M HEPES, PH 8.0 30% PEG3350, 0.2M (NH4)2SO4, 20C
|
Resolution 2.05 Å R-free 0.205 |
| 4A9H N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-(2-methyl-1,2,3,4-tetrahydroquinolin-1-yl)ethan-1-one Deposited 2011-11-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | TVP (2S)-1-ACETYL-2-METHYL-1,2,3,4-TETRAHYDROQUINOLINE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8；293 K；0.1M HEPES, PH 8.0 30% PEG3350, 0.2M (NH4)2SO4, 20C
|
Resolution 2.05 Å R-free 0.205 |
| 4A9I N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one Deposited 2011-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | P9I 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE × 2 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1 M HEPES PH 7.0, 28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS
|
Resolution 2.25 Å R-free 0.252 |
| 4A9I N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-methyl-1,2,3,4- tetrahydroquinazolin-2-one Deposited 2011-11-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | P9I 1-[1-(PYRIDIN-2-YL)INDOLIZIN-3-YL]ETHAN-1-ONE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1 M HEPES PH 7.0, 28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS
|
Resolution 2.25 Å R-free 0.252 |
| 4A9J N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(4-hydroxyphenyl) acetamide Deposited 2011-11-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 TYL N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) × 2 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1 M HEPES PH 7.0, 24-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS.
|
Resolution 1.90 Å R-free 0.218 |
| 4A9J N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(4-hydroxyphenyl) acetamide Deposited 2011-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 TYL N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1 M HEPES PH 7.0, 24-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS.
|
Resolution 1.90 Å R-free 0.218 |
| 4A9M N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopentyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide Deposited 2011-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | P9M N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.1 M HEPES, PH 8.5, 24-34% PEG 3350, 0.2 M (NH4)2SO4.
|
Resolution 2.06 Å R-free 0.225 |
| 4A9M N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopentyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide Deposited 2011-11-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | P9M N-cyclopentyl-5-(3,5-dimethylisoxazol-4-yl)-2-methylbenzenesulfonamide × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8.5；0.1 M HEPES, PH 8.5, 24-34% PEG 3350, 0.2 M (NH4)2SO4.
|
Resolution 2.06 Å R-free 0.225 |
| 4A9N N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopropyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide Deposited 2011-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 5 A9N N-CYCLOPROP-2-EN-1-YL-5-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-2-METHYL-BENZENESULFONAMIDE × 2 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1 M HEPES PH 7.0, 22-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS.
|
Resolution 1.85 Å R-free 0.195 |
| 4A9N N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-cyclopropyl-5-(3,5- dimethyl-1,2-oxazol-4-yl)-2-methylbenzene-1-sulfonamide Deposited 2011-11-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1 M HEPES PH 7.0, 22-28% PEG 3350, 0.2 M (NH4)2SO4, 20 DEGREES CELSIUS.
|
Resolution 1.85 Å R-free 0.195 |
| 4A9O N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5 ethyl-3-methyl-4-phenyl-1, 2-oxazole Deposited 2011-11-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 A9O 5-ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.1 M HEPES PH 7.0, 22-26% PEG 3350, 0.2 M (NH4)2SO4
|
Resolution 1.78 Å R-free 0.198 |
| 4A9O N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5 ethyl-3-methyl-4-phenyl-1, 2-oxazole Deposited 2011-11-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | A9O 5-ETHYL-3-METHYL-4-PHENYL-1,2-OXAZOLE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；0.1 M HEPES PH 7.0, 22-26% PEG 3350, 0.2 M (NH4)2SO4
|
Resolution 1.78 Å R-free 0.198 |
| 4AKN N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid Deposited 2012-02-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 S5B 4-[(2-tert-butylphenyl)amino]-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-3-carboxylic acid × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；20-26 % PEG3350, 0.2 M (NH4)2SO4, 100 MM HEPES PH 7.0. AT 20C
|
Resolution 1.82 Å R-free 0.197 |
| 4AKN N-Terminal Bromodomain of Human BRD2 With tbutyl-phenyl-amino- dimethyl-oxazolyl-quinoline-carboxylic acid Deposited 2012-02-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：RESIDUES 67-200
|
Not recorded | SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；20-26 % PEG3350, 0.2 M (NH4)2SO4, 100 MM HEPES PH 7.0. AT 20C
|
Resolution 1.82 Å R-free 0.197 |
| 4ALG N-Terminal Bromodomain of Human BRD2 With IBET-151 Deposited 2012-03-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
|
Not recorded | ACT ACETATE ION × 2 GOL GLYCEROL × 2 1GH 7-(3,5-DIMETHYL-1,2-OXAZOL-4-YL)-8-METHOXY-1-[(1R)-1-(PYRIDIN-2-YL)ETHYL]-1H,2H,3H-IMIDAZO[4,5-C]QUINOLIN-2-ONE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 4.7；293 K；150MM NH4SO4, 25%MME, 100MM NAAC PH 4.7, 20C
|
Resolution 1.60 Å R-free 0.202 |
| 4ALH N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3,5 dimethyl-4-phenyl-1,2- oxazole Deposited 2012-03-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 A9P 3,5 DIMETHYL-4-PHENYL-1,2-OXAZOLE × 2 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1M HEPES PH 7.0, 26% PEG3350, 0.2M (NH4)2SO4, 20C
|
Resolution 1.97 Å R-free 0.203 |
| 4ALH N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3,5 dimethyl-4-phenyl-1,2- oxazole Deposited 2012-03-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN (BD1), RESIDUES 67-200
|
Not recorded | A9P 3,5 DIMETHYL-4-PHENYL-1,2-OXAZOLE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1M HEPES PH 7.0, 26% PEG3350, 0.2M (NH4)2SO4, 20C
|
Resolution 1.97 Å R-free 0.203 |
| 4MR5 Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-OH) Deposited 2013-09-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：unp residues 344-455
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 1 1K0 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；0.20M Na(formate), 0.1M BTProp, 20.0% PEG 3350
10.0% EtGly, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.63 Å R-free 0.170 |
| 4MR6 Crystal Structure of the second bromodomain of human BRD2 in complex with a quinazolinone ligand (RVX-208) Deposited 2013-09-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：unp residues 344-455
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 DMS DIMETHYL SULFOXIDE × 1 1K0 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxyquinazolin-4(3H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；25% PEG3350, 0.2M KSCN, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.67 Å R-free 0.193 |
| 4QEU Crystal structure of BRD2(BD2) mutant in free form Deposited 2014-05-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：unp residues 344-455
|
Mutation：L383A | ACT ACETATE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；0.1M sodium citrate, 0.2M ammonium sulfate, 30% PEG4000, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.50 Å R-free 0.189 |
| 4QEV Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE) Deposited 2014-05-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：unp residues 344-455
|
Mutation：L383A | 31O methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate × 1 2PE NONAETHYLENE GLYCOL × 1 NI NICKEL (II) ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M Hepes, 0.2M Imidazole, 41% PEG400, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.226 |
| 4QEV Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE) Deposited 2014-05-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
344–455（112 aa）
Fragment：unp residues 344-455
|
Mutation：L383A | 31O methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate × 2 2PE NONAETHYLENE GLYCOL × 2 NI NICKEL (II) ION × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M Hepes, 0.2M Imidazole, 41% PEG400, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.226 |
| 4QEV Crystal structure of BRD2(BD2) mutant with ligand ME bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]PROPANOATE) Deposited 2014-05-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
344–455（112 aa）
Fragment：unp residues 344-455
|
Mutation：L383A | 31O methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate × 2 2PE NONAETHYLENE GLYCOL × 2 NI NICKEL (II) ION × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M Hepes, 0.2M Imidazole, 41% PEG400, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.80 Å R-free 0.226 |
| 4QEW Crystal structure of BRD2(BD2) mutant with ligand ET bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]BUTANOATE) Deposited 2014-05-19 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：unp residues 344-455
|
Mutation：L383A | GOL GLYCEROL × 1 2PE NONAETHYLENE GLYCOL × 1 31P methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate × 1 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M Hepes, 0.2M Imidazole, 41% PEG400, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.70 Å R-free 0.210 |
| 4QEW Crystal structure of BRD2(BD2) mutant with ligand ET bound (METHYL (2R)- 2-[(4S)-6-(4-CHLOROPHENYL)-8-METHOXY-1-METHYL-4H-[1,2,4]TRIAZOLO[4,3-A][1, 4]BENZODIAZEPIN-4-YL]BUTANOATE) Deposited 2014-05-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
344–455（112 aa）
Fragment：unp residues 344-455
|
Mutation：L383A | GOL GLYCEROL × 2 2PE NONAETHYLENE GLYCOL × 2 31P methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate × 2 NI NICKEL (II) ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293 K；0.1M Hepes, 0.2M Imidazole, 41% PEG400, pH 7, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 1.70 Å R-free 0.210 |
| 4UYF N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, UNP RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 73B 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；293 K；0.1M BIS TRIS PH 5.5, 18% PEG3350, 0.2M (NH4)2SO4 20C
|
Resolution 1.60 Å R-free 0.207 |
| 4UYF N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, UNP RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 73B 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；293 K；0.1M BIS TRIS PH 5.5, 18% PEG3350, 0.2M (NH4)2SO4 20C
|
Resolution 1.60 Å R-free 0.207 |
| 4UYF N-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, UNP RESIDUES 67-200
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 73B 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5.5；293 K；0.1M BIS TRIS PH 5.5, 18% PEG3350, 0.2M (NH4)2SO4 20C
|
Resolution 1.60 Å R-free 0.207 |
| 4UYG C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
338–473（136 aa）
Fragment：C-TERMINAL BROMODOMAIN, RESIDUES 338-473
|
Not recorded | 73B 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；83MM NAAC, PH 5.0 33.3% PEG3350, 0.167M (NH4)2SO4.
|
Resolution 2.50 Å R-free 0.234 |
| 4UYG C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
338–473（136 aa）
Fragment：C-TERMINAL BROMODOMAIN, RESIDUES 338-473
|
Not recorded | 73B 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；83MM NAAC, PH 5.0 33.3% PEG3350, 0.167M (NH4)2SO4.
|
Resolution 2.50 Å R-free 0.234 |
| 4UYG C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
338–473（136 aa）
Fragment：C-TERMINAL BROMODOMAIN, RESIDUES 338-473
|
Not recorded | 73B 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；83MM NAAC, PH 5.0 33.3% PEG3350, 0.167M (NH4)2SO4.
|
Resolution 2.50 Å R-free 0.234 |
| 4UYG C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
338–473（136 aa）
Fragment：C-TERMINAL BROMODOMAIN, RESIDUES 338-473
|
Not recorded | 73B 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；83MM NAAC, PH 5.0 33.3% PEG3350, 0.167M (NH4)2SO4.
|
Resolution 2.50 Å R-free 0.234 |
| 4UYG C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
338–473（136 aa）
Fragment：C-TERMINAL BROMODOMAIN, RESIDUES 338-473
|
Not recorded | 73B 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；83MM NAAC, PH 5.0 33.3% PEG3350, 0.167M (NH4)2SO4.
|
Resolution 2.50 Å R-free 0.234 |
| 4UYG C-Terminal bromodomain of Human BRD2 with I-BET726 (GSK1324726A) Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
338–473（136 aa）
Fragment：C-TERMINAL BROMODOMAIN, RESIDUES 338-473
|
Not recorded | 73B 4-[(2S,4R)-1-acetyl-4-[(4-chlorophenyl)amino]-2-methyl-1,2,3,4-tetrahydroquinolin-6-yl]benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；83MM NAAC, PH 5.0 33.3% PEG3350, 0.167M (NH4)2SO4.
|
Resolution 2.50 Å R-free 0.234 |
| 4UYH N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
|
Not recorded | 9S3 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1M HEPES PH 7.0, 26% PEG3350, 0.2M (NH4)2SO4 20C
|
Resolution 1.73 Å R-free 0.203 |
| 4UYH N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
|
Not recorded | 9S3 1-[(2S,4R)-2-methyl-4-(phenylamino)-6-[4-(piperidin-1-ylmethyl)phenyl]-3,4-dihydroquinolin-1(2H)-yl]ethanone × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1M HEPES PH 7.0, 26% PEG3350, 0.2M (NH4)2SO4 20C
|
Resolution 1.73 Å R-free 0.203 |
| 4UYH N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-((2R,4S)-2-methyl-4-(phenylamino)-6-(4-(piperidin-1-ylmethyl)phenyl)-3,4-dihydroquinolin-1(2H)-yl)ethanone Deposited 2014-08-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
67–200（134 aa）
Fragment：N-TERMINAL BROMODOMAIN, RESIDUES 67-200
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 7；293 K；0.1M HEPES PH 7.0, 26% PEG3350, 0.2M (NH4)2SO4 20C
|
Resolution 1.73 Å R-free 0.203 |
| 5BT5 Crystal structure of BRD2 second bromodomain in complex with SGC-CBP30 chemical probe Deposited 2015-06-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：UNP residues 344-455
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 2LO 2-[2-(3-chloro-4-methoxyphenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(2S)-2-(morpholin-4-yl)propyl]-1H-benzimidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2 M sodium/potassium tartrate, 20% PEG 3350, 10% ethylene glycol
|
Resolution 1.40 Å R-free 0.182 |
| 5DFB Crystal structure of BRD2(BD2) mutant W370F in the free form Deposited 2015-08-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
344–455（112 aa）
Fragment：UNP Residues 344-455
|
Mutation：W370F | NI NICKEL (II) ION × 2 2PE NONAETHYLENE GLYCOL × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1M Hepes pH 7, 0.2M Imidiazole, 41% PEG 400
|
Resolution 1.40 Å R-free 0.169 |
| 5DFC Crystal structure of BRD2(BD2) W370F mutant with ligand I-BET 762 bound Deposited 2015-08-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：residues 344-455
|
Mutation：W370F | GOL GLYCEROL × 1 2PE NONAETHYLENE GLYCOL × 1 EAM 2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-N-ethylacetamide × 1 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1M Hepes pH 7, 0.2M Imidiazole, 41% PEG 400
|
Resolution 1.50 Å R-free 0.171 |
| 5DFD Crystal structure of BRD2(BD2) W370F mutant with ligand 28 bound Deposited 2015-08-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Mutation：W370F | 59E methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；293.15 K；0.1M Hepes pH 7, 0.2M Imidiazole, 41% PEG 400
|
Resolution 1.50 Å R-free 0.175 |
| 5DW1 X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution Deposited 2015-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
345–455（111 aa）
Fragment：BD2 (UNP residues 345-455)
|
Not recorded | 5GD 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.6 M sodium malonate
|
Resolution 1.55 Å R-free 0.195 |
| 5DW1 X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution Deposited 2015-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
345–455（111 aa）
Fragment：BD2 (UNP residues 345-455)
|
Not recorded | 5GD 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.6 M sodium malonate
|
Resolution 1.55 Å R-free 0.195 |
| 5DW1 X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution Deposited 2015-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
345–455（111 aa）
Fragment：BD2 (UNP residues 345-455)
|
Not recorded | 5GD 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.6 M sodium malonate
|
Resolution 1.55 Å R-free 0.195 |
| 5DW1 X-ray crystal structure of human BRD2(BD2) in complex with RVX297 to 1.55 A resolution Deposited 2015-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
345–455（111 aa）
Fragment：BD2 (UNP residues 345-455)
|
Not recorded | 5GD 2-{3,5-dimethyl-4-[2-(pyrrolidin-1-yl)ethoxy]phenyl}-5,7-dimethoxyquinazolin-4(3H)-one × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；298 K；2.6 M sodium malonate
|
Resolution 1.55 Å R-free 0.195 |
| 5EK9 Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor Deposited 2015-11-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：UNP residues 344-455
|
Not recorded | 5P4 propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；20% PEG6000, 0.1M citrate pH5
|
Resolution 2.08 Å R-free 0.223 |
| 5EK9 Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline inhibitor Deposited 2015-11-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
344–455（112 aa）
Fragment：UNP residues 344-455
|
Not recorded | 5P4 propan-2-yl ~{N}-[(2~{S},4~{R})-1-ethanoyl-6-(furan-2-yl)-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5；277 K；20% PEG6000, 0.1M citrate pH5
|
Resolution 2.08 Å R-free 0.223 |
| 5HEL Crystal structure of the N-terminus Y153H bromodomain mutant of human BRD2 Deposited 2016-01-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
71–194（124 aa）
Fragment：UNP residues 71-194
|
Mutation：Y153H | EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG smear high, 0.1 M Mes pH 6.5
|
Resolution 1.45 Å R-free 0.209 |
| 5HEM Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2 Deposited 2016-01-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
71–194（124 aa）
|
Mutation：D161Y | EDO 1,2-ETHANEDIOL × 5 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；15% PEG3350, 0.1M bis-tris propane pH 6.6, 10% ethylene glycol, 0.15M sodium acetate
|
Resolution 1.65 Å R-free 0.199 |
| 5HEM Crystal structure of the N-terminus D161Y bromodomain mutant of human BRD2 Deposited 2016-01-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
71–194（124 aa）
|
Mutation：D161Y | ACT ACETATE ION × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；15% PEG3350, 0.1M bis-tris propane pH 6.6, 10% ethylene glycol, 0.15M sodium acetate
|
Resolution 1.65 Å R-free 0.199 |
| 5HEN Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 Deposited 2016-01-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
71–194（124 aa）
|
Mutation：R100L | EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；1 M ammonium sulfate, 0.1 M MES pH 6.3
|
Resolution 1.79 Å R-free 0.223 |
| 5HEN Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 Deposited 2016-01-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
71–194（124 aa）
|
Mutation：R100L | EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；1 M ammonium sulfate, 0.1 M MES pH 6.3
|
Resolution 1.79 Å R-free 0.223 |
| 5HEN Crystal structure of the N-terminus R100L bromodomain mutant of human BRD2 Deposited 2016-01-06 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
71–194（124 aa）
|
Mutation：R100L | EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；1 M ammonium sulfate, 0.1 M MES pH 6.3
|
Resolution 1.79 Å R-free 0.223 |
| 5HFQ Crystal structure of the second bromodomain Q443H mutant of human BRD2 Deposited 2016-01-07 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：UNP residues 344-455
|
Mutation：Q443H | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；2% (v/v) dioxane, 10% PEG 20000, 0.1M bicine pH 9
|
Resolution 1.40 Å R-free 0.185 |
| 5IBN Ultra high resolution crystal structure of the apo- form of second bromodomain of BRD2. Deposited 2016-02-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
Fragment：UNP residues 348-455
|
Not recorded | CL CHLORIDE ION × 1 GOL GLYCEROL × 5 PGE TRIETHYLENE GLYCOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.3；300 K；30% PEG MME 2000, 20% glycerol, 50mM NaCl, 50mM Tris pH 7.5
|
Resolution 0.94 Å R-free 0.145 |
| 5IG6 Ultra-high resolution crystal structure of second bromodomain of BRD2 in complex with inhibitor 6B3 Deposited 2016-02-27 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–454（107 aa）
Fragment：UNP residues 348-454
|
Not recorded | CL CHLORIDE ION × 2 GOL GLYCEROL × 2 6B3 2'-[(6-oxo-5,6-dihydrophenanthridin-3-yl)carbamoyl][1,1'-biphenyl]-2-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；300 K；30% PEG MME 2000, 50mM Tris-HCl pH 7.5, 50mM NaCl, 20% glycerol
|
Resolution 0.91 Å R-free 0.143 |
| 5N2L Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue Deposited 2017-02-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 2 8J2 propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% PEG3350, 0.2 M ammonium sulfate, 0.1 M Bis-tris pH 5.5
|
Resolution 1.89 Å R-free 0.233 |
| 5N2L Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue Deposited 2017-02-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
344–455（112 aa）
|
Not recorded | SO4 SULFATE ION × 3 8J2 propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% PEG3350, 0.2 M ammonium sulfate, 0.1 M Bis-tris pH 5.5
|
Resolution 1.89 Å R-free 0.233 |
| 5N2L Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue Deposited 2017-02-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
344–455（112 aa）
|
Not recorded | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 1 8J2 propan-2-yl ~{N}-[(2~{S},4~{R})-6-(3-acetamidophenyl)-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinolin-4-yl]carbamate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% PEG3350, 0.2 M ammonium sulfate, 0.1 M Bis-tris pH 5.5
|
Resolution 1.89 Å R-free 0.233 |
| 5N2L Crystal structure of the second bromodomain of human BRD2 in complex with a tetrahydroquinoline analogue Deposited 2017-02-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
344–455（112 aa）
|
Not recorded | SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% PEG3350, 0.2 M ammonium sulfate, 0.1 M Bis-tris pH 5.5
|
Resolution 1.89 Å R-free 0.233 |
| 5O38 Human Brd2(BD2) mutant in free form Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Mutation：L383V | 9JB 3-[(2~{R})-2-oxidanylpropoxy]-2-[[(2~{R})-2-oxidanylpropoxy]methyl]-2-[[(2~{S})-2-oxidanylpropoxy]methyl]propan-1-ol × 1 CL CHLORIDE ION × 1 DQW (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M Tris pH8.0
50% Pentaerythritol propoxylate (5/4 PO/OH)
0.2M Imidazole
|
Resolution 1.20 Å R-free 0.141 |
| 5O39 Human Brd2(BD2) mutant in complex with ME Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Mutation：L383V | 31O methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate × 1 CL CHLORIDE ION × 1 DQW (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 9；293 K；0.2M Tris pH9
53% Pentaerythritol propoxylate (5/4 PO/OH)
|
Resolution 1.74 Å R-free 0.190 |
| 5O3A Human Brd2(BD2) mutant in complex with ET Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：UNP residues 344-455
|
Mutation：L383V | 31P methyl (2R)-2-[(4S)-6-(4-chlorophenyl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.25；293 K；0.1M Tris pH 8.25
55% Pentaerythritol propoxylate (5/4 PO/OH)
0.2M Imidazole
|
Resolution 2.40 Å R-free 0.255 |
| 5O3B Human Brd2(BD2) mutant in complex with AL Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Mutation：L383V | 9HZ methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Tris pH 7.5
60% Pentaerythritol propoxylate (5/4 PO/OH)
0.2M Imidazole pH 8.0
|
Resolution 1.95 Å R-free 0.244 |
| 5O3B Human Brd2(BD2) mutant in complex with AL Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
344–455（112 aa）
|
Mutation：L383V | 9HZ methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Tris pH 7.5
60% Pentaerythritol propoxylate (5/4 PO/OH)
0.2M Imidazole pH 8.0
|
Resolution 1.95 Å R-free 0.244 |
| 5O3B Human Brd2(BD2) mutant in complex with AL Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
344–455（112 aa）
|
Mutation：L383V | 9HZ methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Tris pH 7.5
60% Pentaerythritol propoxylate (5/4 PO/OH)
0.2M Imidazole pH 8.0
|
Resolution 1.95 Å R-free 0.244 |
| 5O3B Human Brd2(BD2) mutant in complex with AL Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
344–455（112 aa）
|
Mutation：L383V | 9HZ methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Tris pH 7.5
60% Pentaerythritol propoxylate (5/4 PO/OH)
0.2M Imidazole pH 8.0
|
Resolution 1.95 Å R-free 0.244 |
| 5O3C Human Brd2(BD2) mutant in complex with 9-Me Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Mutation：L383V | 9J2 methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]propanoate × 1 CL CHLORIDE ION × 1 DQW (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；0.2M Tris pH 8.5
60% Pentaerythritol propoxylate (5/4 PO/OH)
|
Resolution 1.60 Å R-free 0.194 |
| 5O3D Human Brd2(BD2) mutant in complex with 9-ET Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
345–455（111 aa）
|
Mutation：L383V | 9J5 methyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]butanoate × 1 CL CHLORIDE ION × 1 DQW (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.25；293 K；0.1M Tris pH8.25
55% Pentaerythritol propoxylate (5/4 PO/OH)
0.2M Imidazole
|
Resolution 1.60 Å R-free 0.170 |
| 5O3E Human Brd2(BD2) mutant in complex with Me-Am1 Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：UNP residues 344-455
|
Mutation：L383V | 9HW (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide × 1 CL CHLORIDE ION × 1 DQW (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Tris pH 7.75
55% Pentaerythritol propoxylate (5/4 PO/OH)
0.2M Imidazole pH 8
|
Resolution 1.40 Å R-free 0.165 |
| 5O3F Human Brd2(BD2) mutant in complex with ET-Am1 Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
Fragment：UNP residues 344-455
|
Mutation：L383V | 9HT (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-butanamide × 1 CL CHLORIDE ION × 1 DQW (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Tris pH 8.5
60% Pentaerythritol propoxylate (5/4 PO/OH)
|
Resolution 1.75 Å R-free 0.202 |
| 5O3G Human Brd2(BD2) mutant in complex with AL-Am1 Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Mutation：L383V | 9J8 (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-pent-4-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.25；293 K；0.1M Tris pH 8.25
55% Pentaerythritol propoxylate (5/4 PO/OH)
|
Resolution 1.85 Å R-free 0.236 |
| 5O3G Human Brd2(BD2) mutant in complex with AL-Am1 Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
344–455（112 aa）
|
Mutation：L383V | 9J8 (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-pent-4-enamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.25；293 K；0.1M Tris pH 8.25
55% Pentaerythritol propoxylate (5/4 PO/OH)
|
Resolution 1.85 Å R-free 0.236 |
| 5O3H Human Brd2(BD2) mutant in complex with 9-ME-Am1 Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Mutation：L383V | 9HQ (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-9-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-~{N}-ethyl-propanamide × 1 CL CHLORIDE ION × 1 DQW (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Tris pH 9.0
45% Pentaerythritol propoxylate (5/4 PO/OH)
|
Resolution 1.40 Å R-free 0.164 |
| 5O3I Human Brd2(BD2) mutant in complex with AL-tBu Deposited 2017-05-23 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Mutation：L383V | 9HN ~{tert}-butyl (2~{R})-2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]pent-4-enoate × 1 CL CHLORIDE ION × 1 DQW (2~{S})-1-[(2~{S})-2-oxidanylpropoxy]propan-2-ol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Tris pH 7.5
60% Pentaerythritol propoxylate (5/4 PO/OH)
|
Resolution 1.20 Å R-free 0.178 |
| 5U5S Solution structures of Brd2 second bromodomain in complex with stat3 peptide Deposited 2016-12-07 | Different construct 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
344–455（112 aa）
Fragment：UNP residues 344-455
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7.4；298 K；Ionic strength (raw mmCIF value) null；Pressure 1
NMR sample composition
10 mM sodium phosphate, 100 mM sodium chloride, 2 mM EDTA, 2 mM [U-2H] DTT, 100% D2O | 100% D2O
NMR sample composition
10 mM sodium phosphate, 100 mM sodium chloride, 2 mM EDTA, 2 mM [U-2H] DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 5U6V X-ray crystal structure of 1,2,3-triazolobenzodiazepine in complex with BRD2(D2) Deposited 2016-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
347–455（109 aa）
|
Not recorded | 7WY 5-[7-(4-chlorophenyl)-1-methyl-6,7-dihydro-5H-[1,2,3]triazolo[1,5-d][1,4]benzodiazepin-9-yl]pyridin-2-amine × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；20w/v PEG 4000, 0.1M sodium HEPES pH7.5, 10 v/v2-propanol
|
Resolution 1.77 Å R-free 0.193 |
| 5UEW BRD2 Bromodomain2 with A-1360579 Deposited 2017-01-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
347–454（108 aa）
Fragment：residues 347-454
|
Not recorded | 87D N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；Protein buffer : 10 mM HEPES PH 7.5
100 mM NaCl 5 mM DTT
Crystallization :
15 % (v/v) Ethanol Tris PH 7.0
|
Resolution 1.83 Å R-free 0.238 |
| 5UEW BRD2 Bromodomain2 with A-1360579 Deposited 2017-01-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
347–454（108 aa）
Fragment：residues 347-454
|
Not recorded | 87D N-[3-(4-methoxy-1-methyl-6-oxo-1,6-dihydropyridin-3-yl)-4-phenoxyphenyl]methanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；Protein buffer : 10 mM HEPES PH 7.5
100 mM NaCl 5 mM DTT
Crystallization :
15 % (v/v) Ethanol Tris PH 7.0
|
Resolution 1.83 Å R-free 0.238 |
| 5XHE Crystal structure analysis of the second bromodomain of BRD2 covalently linked to b-mercaptoethanol Deposited 2017-04-20 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
Fragment：Bromodomain (UNP RESIDUES 348-455)
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | PGE TRIETHYLENE GLYCOL × 1 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；22% PEG 2000, 5mM b-ME, 10% Glycerol, 50mM Tris-Cl
|
Resolution 1.40 Å R-free 0.172 |
| 5XHK Crystal structure of the BRD2-BD2 in complex with phenanthridinone Deposited 2017-04-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
Fragment：UNP RESIDUES 348-455
|
Not recorded | GOL GLYCEROL × 2 2ME METHOXYETHANE × 1 LDR phenanthridin-6(5H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；25% PEG MME 2000, 10% Glycerol, Tris-Cl
|
Resolution 1.28 Å R-free 0.192 |
| 6CUI Solution structure of the Extraterminal (ET) Domain of BRD2 Deposited 2018-03-26 | Different construct 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
621–750（130 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 7.5；298 K；Ionic strength (raw mmCIF value) 500；Pressure 1
NMR sample composition
250 uM [U-13C; U-15N] BRD2-ET, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 6DB0 N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue Deposited 2018-05-02 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
20–153（134 aa）
Chain B
20–153（134 aa）
|
Not recorded | SO4 SULFATE ION × 1 G3J 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；PEG 3350, ammonium sulfate, HEPES
|
Resolution 1.70 Å R-free 0.188 |
| 6DB0 N-Terminal bromodomain of Human BRD2 with a Tetrahydroquinoline analogue Deposited 2018-05-02 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
20–153（134 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；PEG 3350, ammonium sulfate, HEPES
|
Resolution 1.70 Å R-free 0.188 |
| 6DBC Second bromodomain of Human BRD2 with a Tetrahydroquinoline analogue Deposited 2018-05-03 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 7 G3J 1-[(2S,4R)-4-[(2-chlorophenyl)amino]-2-methyl-6-(1H-pyrazol-3-yl)-3,4-dihydroquinolin-1(2H)-yl]ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；PEG 3350, Potassium thicyanate
|
Resolution 1.05 Å R-free 0.132 |
| 6DDI Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue Deposited 2018-05-10 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
20–153（134 aa）
Chain B
20–153（134 aa）
|
Not recorded | G7V 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile × 2 SO4 SULFATE ION × 1 EDO 1,2-ETHANEDIOL × 3 03S methanesulfonic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；PEG 3350, ammonium sulfate, HEPES
|
Resolution 1.50 Å R-free 0.173 |
| 6DDI Crystal Structure of the human BRD2 BD1 bromodomain in complex with a Tetrahydroquinoline analogue Deposited 2018-05-10 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
20–153（134 aa）
|
Not recorded | G7V 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；PEG 3350, ammonium sulfate, HEPES
|
Resolution 1.50 Å R-free 0.173 |
| 6DDJ Crystal Structure of the human BRD2 BD2 bromodimain in complex with a Tetrahydroquinoline analogue Deposited 2018-05-10 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | G7V 4-{[(2S,4R)-1-acetyl-2-methyl-6-(1H-pyrazol-3-yl)-1,2,3,4-tetrahydroquinolin-4-yl]amino}benzonitrile × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291.15 K；HEHPES, PEG3000
|
Resolution 1.05 Å R-free 0.129 |
| 6FFE Human BRD2 C-terminal bromodomain with 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid Deposited 2018-01-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 2 D7Q 2-((4-acetyl-3-cyclopropyl-3,4-dihydroquinoxalin-1(2H)-yl)methyl)benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；279.5 K；0.1M MES, pH6.5 30% PEG300
|
Resolution 1.76 Å R-free 0.230 |
| 6FFF Human BRD2 C-terminal bromodomain with (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide Deposited 2018-01-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 D7H (S)-5-(1-acetyl-2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-1,2,3,4-tetrahydroquinoxalin-6-yl)pyrimidine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M MES, pH6.5 30% PEG300
|
Resolution 1.67 Å R-free 0.210 |
| 6FFG Human BRD2 C-terminal bromodomain with (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone Deposited 2018-01-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 D7B (S)-1-(2-cyclopropyl-4-(2-(hydroxymethyl)benzyl)-6-(1,2,3,6-tetrahydropyridin-4-yl)-3,4-dihydroquinoxalin-1(2H)-yl)ethanone × 1 PEG DI(HYDROXYETHYL)ETHER × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；293 K；0.1M MES, pH6.5 30% PEG300
|
Resolution 1.59 Å R-free 0.205 |
| 6I80 Crystal Structure of the second bromodomain of BRD2 in complex with RT53 Deposited 2018-11-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | H7B 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；30% PEG1000
0.1M MMT pH 7.0
|
Resolution 1.14 Å R-free 0.143 |
| 6I80 Crystal Structure of the second bromodomain of BRD2 in complex with RT53 Deposited 2018-11-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
348–455（108 aa）
|
Not recorded | H7B 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；30% PEG1000
0.1M MMT pH 7.0
|
Resolution 1.14 Å R-free 0.143 |
| 6I81 Crystal Structure of the second bromodomain of BRD2 in complex with RT56 Deposited 2018-11-19 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 EDO 1,2-ETHANEDIOL × 1 H7E [1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；30% PEG1000
0.1M MMT pH 7.0
|
Resolution 1.74 Å R-free 0.196 |
| 6JKE Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2. Deposited 2019-02-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
|
Not recorded | BUX 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione × 1 SO4 SULFATE ION × 1 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.8M Ammonium sulphate, 100mM MES pH 6.5, 5mM DTT, PEG 10%, 5% Glycerol
|
Resolution 1.50 Å R-free 0.226 |
| 6JKE Discovery and the crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2. Deposited 2019-02-28 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
|
Not recorded | SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.8M Ammonium sulphate, 100mM MES pH 6.5, 5mM DTT, PEG 10%, 5% Glycerol
|
Resolution 1.50 Å R-free 0.226 |
| 6K04 Crystal structure of BRD2(BD2)with ligand BY27 bound Deposited 2019-05-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | CQF (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；0.2M ammonium sulfate, 25% PEG 4000
|
Resolution 1.25 Å R-free 0.192 |
| 6K05 Crystal structure of BRD2(BD1)with ligand BY27 bound Deposited 2019-05-05 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
|
Not recorded | CQF (6~{R})-~{N}-(4-chlorophenyl)-1-methyl-8-(1-methylpyrazol-4-yl)-5,6-dihydro-4~{H}-[1,2,4]triazolo[4,3-a][1]benzazepin-6-amine × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；25-30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M MES pH 6.7
|
Resolution 1.94 Å R-free 0.210 |
| 6K05 Crystal structure of BRD2(BD1)with ligand BY27 bound Deposited 2019-05-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；25-30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M MES pH 6.7
|
Resolution 1.94 Å R-free 0.210 |
| 6MO7 N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
24–147（124 aa）
|
Not recorded | JWA N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；33% PEG 3350
150mM ammonium sulfate
100mM HEPES pH 7.5
|
Resolution 1.85 Å R-free 0.230 |
| 6MO7 N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
24–147（124 aa）
|
Not recorded | JWA N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；33% PEG 3350
150mM ammonium sulfate
100mM HEPES pH 7.5
|
Resolution 1.85 Å R-free 0.230 |
| 6MO7 N-terminal bromodomain of human BRD2 with N-((4-(3-(N-cyclopentylsulfamoyl)-4-methylphenyl)-3-methylisoxazol-5-yl)methyl)acetamide inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
24–147（124 aa）
|
Not recorded | JWA N-({4-[3-(cyclopentylsulfamoyl)-4-methylphenyl]-3-methyl-1,2-oxazol-5-yl}methyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；33% PEG 3350
150mM ammonium sulfate
100mM HEPES pH 7.5
|
Resolution 1.85 Å R-free 0.230 |
| 6MO8 N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
24–147（124 aa）
|
Not recorded | JWD 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；29% PEG 3350
225 mM ammonium sulfate
100mM HEPES pH 7.5
|
Resolution 1.80 Å R-free 0.223 |
| 6MO8 N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
24–147（124 aa）
|
Not recorded | JWD 5,7-bis(3,5-dimethyl-1,2-oxazol-4-yl)quinoline × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；29% PEG 3350
225 mM ammonium sulfate
100mM HEPES pH 7.5
|
Resolution 1.80 Å R-free 0.223 |
| 6MO8 N-terminal bromodomain of human BRD2 in complex with 4,4'-(quinoline-5,7-diyl)bis(3,5-dimethylisoxazole) inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
24–147（124 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；29% PEG 3350
225 mM ammonium sulfate
100mM HEPES pH 7.5
|
Resolution 1.80 Å R-free 0.223 |
| 6MO9 N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
24–147（124 aa）
|
Not recorded | JVY N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 3350
175mM ammonium sulfate
100mM HEPES pH8.2
|
Resolution 1.80 Å R-free 0.233 |
| 6MO9 N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
24–147（124 aa）
|
Not recorded | JVY N-cyclopentyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)quinoline-5-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 3350
175mM ammonium sulfate
100mM HEPES pH8.2
|
Resolution 1.80 Å R-free 0.233 |
| 6MO9 N-terminal bromodomain of human BRD2 in complex with N-cyclopentyl-7-(3,5-dimethylisoxazol-4-yl)quinoline-5-sulfonamide inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
24–147（124 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；24% PEG 3350
175mM ammonium sulfate
100mM HEPES pH8.2
|
Resolution 1.80 Å R-free 0.233 |
| 6MOA C-terminal bromodomain of human BRD2 in complex with 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole inhibitor Deposited 2018-10-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
346–455（110 aa）
|
Not recorded | JW4 4-(2-cyclopropyl-7-(6-methylquinolin-5-yl)-1H-benzo[d]imidazol-5-yl)-3,5-dimethylisoxazole × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；12% PEG 1000
100mM NaTris-HCl pH 8.4
|
Resolution 1.27 Å R-free 0.179 |
| 6ONY BRD2_Bromodomain1 complex with inhibitor 744 Deposited 2019-04-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 HWV N-ethyl-4-[2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；290 K；0.665 M Ammonium Tartrate, 0.095 M Tris pH 8.5
|
Resolution 1.98 Å R-free 0.233 |
| 6SWO C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD1 (GSK778) Deposited 2019-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | LWB 4-[2-(methoxymethyl)-1-[(1~{R})-1-phenylethyl]-8-[[(3~{S})-pyrrolidin-3-yl]methoxy]imidazo[4,5-c]quinolin-7-yl]-3,5-dimethyl-1,2-oxazole × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298 K；30% PEG 300, 0.1M MES buffer
|
Resolution 1.60 Å R-free 0.191 |
| 6SWP C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH iBET-BD2 (GSK046) Deposited 2019-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 LW5 4-acetamido-3-fluoranyl-~{N}-(4-oxidanylcyclohexyl)-5-[(1~{S})-1-phenylethoxy]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；30% PEG 300, 0.1M MES buffer pH6.
|
Resolution 1.60 Å R-free 0.193 |
| 6TQ1 N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one Deposited 2019-12-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain AAA
67–200（134 aa）
Chain BBB
67–200（134 aa）
|
Not recorded | SO4 SULFATE ION × 2 NUH 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one × 2 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Hepes pH 7.0, 24-28% PEG3350, 0.2M (NH4)2SO4
|
Resolution 1.90 Å R-free 0.213 |
| 6TQ1 N-TERMINAL BROMODOMAIN OF HUMAN BRD4 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one Deposited 2019-12-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain CCC
67–200（134 aa）
|
Not recorded | SO4 SULFATE ION × 2 NUH 5-(3-methoxyphenyl)-1-methyl-pyridin-2-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1M Hepes pH 7.0, 24-28% PEG3350, 0.2M (NH4)2SO4
|
Resolution 1.90 Å R-free 0.213 |
| 6TQ2 N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(4-(4-fluorophenyl)-1H-imidazol-5-yl)-1-methylpyridin-2(1H)-one Deposited 2019-12-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain AAA
67–200（134 aa）
Chain BBB
67–200（134 aa）
|
Not recorded | SO4 SULFATE ION × 2 NUQ 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Hepes pH 7.0, 24-28% PEG3350, 0.2M (NH4)2SO4
|
Resolution 2.26 Å R-free 0.269 |
| 6TQ2 N-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(4-(4-fluorophenyl)-1H-imidazol-5-yl)-1-methylpyridin-2(1H)-one Deposited 2019-12-15 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain CCC
67–200（134 aa）
|
Not recorded | SO4 SULFATE ION × 4 NUQ 5-[5-(4-fluorophenyl)-1~{H}-imidazol-4-yl]-1-methyl-pyridin-2-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；0.1M Hepes pH 7.0, 24-28% PEG3350, 0.2M (NH4)2SO4
|
Resolution 2.26 Å R-free 0.269 |
| 6U71 BRD2-BD2 in complex with the cyclic peptide 3.1_3 Deposited 2019-08-31 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
347–455（109 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M MMT pH 9.0, 25 % w/v PEG 1500
|
Resolution 1.47 Å R-free 0.199 |
| 6ULT BRD2-BD2 in complex with the cyclic peptide 4.2_3 Deposited 2019-10-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
347–454（108 aa）
Chain C
347–454（108 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20,000
|
Resolution 2.80 Å R-free 0.335 |
| 6ULT BRD2-BD2 in complex with the cyclic peptide 4.2_3 Deposited 2019-10-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
347–454（108 aa）
Chain D
347–454（108 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20,000
|
Resolution 2.80 Å R-free 0.335 |
| 6ULT BRD2-BD2 in complex with the cyclic peptide 4.2_3 Deposited 2019-10-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain E
347–454（108 aa）
Chain G
347–454（108 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20,000
|
Resolution 2.80 Å R-free 0.335 |
| 6ULT BRD2-BD2 in complex with the cyclic peptide 4.2_3 Deposited 2019-10-08 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain F
347–454（108 aa）
Chain H
347–454（108 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；291 K；0.1 M MES monohydrate pH 6.5, 12% w/v Polyethylene glycol 20,000
|
Resolution 2.80 Å R-free 0.335 |
| 6VIY BRD2_Bromodomain2 complex with pyrrolopyridone compound 27 Deposited 2020-01-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
Fragment：Bromodomain 2
|
Not recorded | QYY 4-[2-(2,6-dimethylphenoxy)-5-(ethylsulfonyl)phenyl]-N-ethyl-6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；290 K；25% PEG1500, 0.2M AmSO4, 0.1M Na Cacodylate, pH 5.5
|
Resolution 1.90 Å R-free 0.255 |
| 6VIY BRD2_Bromodomain2 complex with pyrrolopyridone compound 27 Deposited 2020-01-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
348–455（108 aa）
Fragment：Bromodomain 2
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；290 K；25% PEG1500, 0.2M AmSO4, 0.1M Na Cacodylate, pH 5.5
|
Resolution 1.90 Å R-free 0.255 |
| 6WWB Crystal Structure of the second bromodomain of human BRD2 in complex with the compound 3b Deposited 2020-05-08 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 YA3 2-((S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-6-yl)-N-((1-(4-(2-((2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindolin-4-yl)amino)acetamido)butyl)-1H-1,2,3-triazol-4-yl)methyl)acetamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293.15 K；HEPES, PEG 400
|
Resolution 1.31 Å R-free 0.146 |
| 6YTM Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe Deposited 2020-04-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
345–455（111 aa）
|
Mutation：L383V | PMW methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate × 1 PXN (2S)-1-[3-{[(2R)-2-hydroxypropyl]oxy}-2,2-bis({[(2R)-2-hydroxypropyl]oxy}methyl)propoxy]propan-2-ol × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.75；293 K；0.1 M Tris pH 8.75, 55% pentaerythiol propoxylate (5/4 PO/OH)
|
Resolution 1.56 Å R-free 0.204 |
| 6YTM Human Brd2(BD2) L383V mutant in complex with ET-JQ1-OMe Deposited 2020-04-24 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
345–455（111 aa）
|
Mutation：L383V | PMW methyl (2R)-2-[(9S)-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.75；293 K；0.1 M Tris pH 8.75, 55% pentaerythiol propoxylate (5/4 PO/OH)
|
Resolution 1.56 Å R-free 0.204 |
| 6Z7F C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide Deposited 2020-05-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | PEG DI(HYDROXYETHYL)ETHER × 2 EDO 1,2-ETHANEDIOL × 2 QB5 N-(2-(1H-imidazol-4-yl)ethyl)-4-acetamido-3-(benzyloxy)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；293 K；30% PEG300, 0.1M MES
|
Resolution 1.60 Å R-free 0.180 |
| 6Z8P C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK973 Deposited 2020-06-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 1PG 2-(2-{2-[2-(2-METHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHANOL × 1 QC8 (2~{S},3~{S})-2-(fluoranylmethyl)-~{N}7-methyl-~{N}5-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2,3-dihydro-1-benzofuran-5,7-dicarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.55 Å R-free 0.195 |
| 6ZB0 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-benzyl-N-methyl-2-oxo-1,2-dihydropyridine-3-carboxamide Deposited 2020-06-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 QCW ~{N}-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3-carboxamide × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.61 Å R-free 0.177 |
| 6ZB1 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK620 Deposited 2020-06-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 QCZ ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-(phenylmethyl)pyridine-3,5-dicarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.185 |
| 6ZB2 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH GSK549 Deposited 2020-06-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 QD5 ~{N}5-cyclopropyl-1-(1~{H}-indol-4-ylmethyl)-~{N}3-methyl-2-oxidanylidene-pyridine-3,5-dicarboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 2.28 Å R-free 0.234 |
| 7DPN Crystal structure of BRD2(BD1)with ligand ZB-BD-224 bound Deposited 2020-12-20 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
Chain C
73–194（122 aa）
|
Not recorded | HFU 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；25-30% PEG MME 5000, 0.2M ammonium sulfate, 0.1M MES pH 6.7
|
Resolution 1.80 Å R-free 0.219 |
| 7DPO Crystal Structure of BRD2(BD2)with Ligand ZB-BD-224 bound Deposited 2020-12-21 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | HFU 5-(1-naphthoyl)-11-methyl-8-((methylsulfonyl)methyl)-4,5-dihydro-2,3a1,5-triazadibenzo[cd,h]azulen-1(2H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；0.2M ammonium sulfate, 25% PEG 4000
|
Resolution 2.30 Å R-free 0.242 |
| 7ENV crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1). Deposited 2021-04-19 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
|
Not recorded | BUX 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.8 M Ammonium sulfate, 0.1 M MES pH6.5, 28% PEG MME2000, 5% glycerol
|
Resolution 2.45 Å R-free 0.259 |
| 7ENV crystal structure of NS5 in complex with the N-terminal bromodomain of BRD2 (BRD2-BD1). Deposited 2021-04-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；0.8 M Ammonium sulfate, 0.1 M MES pH6.5, 28% PEG MME2000, 5% glycerol
|
Resolution 2.45 Å R-free 0.259 |
| 7ENZ Crystal structure of Phenanthredinone moiety in complex with the second bromodomain of BRD2 (BRD2-BD2). Deposited 2021-04-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
Fragment：UNP RESIDUES 348-455
|
Not recorded | LDR phenanthridin-6(5H)-one × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；50 mM Tris pH 7.5, 50 mM NaCl, 25% PEG MME 2000
|
Resolution 1.70 Å R-free 0.227 |
| 7EO5 Crystal structure of pyrano 1,3, oxazine derivative in complex with the second bromodomain of BRD2 Deposited 2021-04-21 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
348–455（108 aa）
Fragment：UNP RESIDUES 348-455
|
Not recorded | PGE TRIETHYLENE GLYCOL × 2 BUX 7-chloranyl-2-[(3-chlorophenyl)amino]pyrano[3,4-e][1,3]oxazine-4,5-dione × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；50 mM Tris pH 7.5, 50 mM NaCl, 30% PEG MME 2000
|
Resolution 2.00 Å R-free 0.224 |
| 7JX7 BRD2-BD2 in complex with a diacetylated-H2A.Z peptide Deposited 2020-08-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
347–455（109 aa）
Fragment：the second bromodomain
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；24% w/v PEG 1500, 20% w/v glycerol
|
Resolution 1.75 Å R-free 0.210 |
| 7L6D Crystal structure of the second bromodomain (BD2) of human BRD2 bound to bromosporine Deposited 2020-12-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | BMF Bromosporine × 1 EDO 1,2-ETHANEDIOL × 8 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium sulfate, 0.1 M BIS-TRIS pH 6.5, 25 % w/v Polyethylene glycol 3,350
|
Resolution 1.55 Å R-free 0.190 |
| 7L9G Crystal structure of the second bromodomain (BD2) of human BRD2 bound to BI2536 Deposited 2021-01-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 R78 4-{[(7R)-8-cyclopentyl-7-ethyl-5-methyl-6-oxo-5,6,7,8-tetrahydropteridin-2-yl]amino}-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25 % w/v Polyethylene glycol 3350
|
Resolution 1.36 Å R-free 0.172 |
| 7L9J Crystal structure of the second bromodomain (BD2) of human BRD2 bound to Ro3280 Deposited 2021-01-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | 79C 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5, 25 % w/v Polyethylene glycol 3,350
|
Resolution 1.85 Å R-free 0.206 |
| 7L9J Crystal structure of the second bromodomain (BD2) of human BRD2 bound to Ro3280 Deposited 2021-01-04 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
344–455（112 aa）
|
Not recorded | 79C 4-[(9-cyclopentyl-7,7-difluoro-5-methyl-6-oxo-6,7,8,9-tetrahydro-5H-pyrimido[4,5-b][1,4]diazepin-2-yl)amino]-3-methoxy-N-(1-methylpiperidin-4-yl)benzamide × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.2 M Ammonium acetate, 0.1 M BIS-TRIS pH 5.5, 25 % w/v Polyethylene glycol 3,350
|
Resolution 1.85 Å R-free 0.206 |
| 7L9K Crystal structure of the second bromodomain (BD2) of human BRD2 bound to LRRK2-IN-1 Deposited 2021-01-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | BU1 1,4-BUTANEDIOL × 1 4K4 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES 7.5, 2.0 M Ammonium sulfate
|
Resolution 1.95 Å R-free 0.226 |
| 7L9K Crystal structure of the second bromodomain (BD2) of human BRD2 bound to LRRK2-IN-1 Deposited 2021-01-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
344–455（112 aa）
|
Not recorded | 4K4 2-[(2-methoxy-4-{[4-(4-methylpiperazin-1-yl)piperidin-1-yl]carbonyl}phenyl)amino]-5,11-dimethyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.1 M HEPES 7.5, 2.0 M Ammonium sulfate
|
Resolution 1.95 Å R-free 0.226 |
| 7NPY C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-benzyl-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-2,4-dicarboxamide Deposited 2021-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | UL5 ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-(phenylmethyl)pyridine-2,4-dicarboxamide × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.173 |
| 7NPZ C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-N5-cyclopropyl-N3-methyl-2-oxo-1-(1-phenylethyl)-1,2-dihydropyridine-3,5-dicarboxamide Deposited 2021-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 ULH ~{N}5-cyclopropyl-~{N}3-methyl-2-oxidanylidene-1-[(1~{R})-1-phenylethyl]pyridine-3,5-dicarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.28 Å R-free 0.193 |
| 7NQ0 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH oxabicyclo(hexan-6-yl)-N2-methyl-6-((S)-1-phenylethyl)pyridine-2,4-dicarboxamide Deposited 2021-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 ULN ~{N}2-methyl-~{N}4-[(1~{R},5~{S})-3-oxabicyclo[3.1.0]hexan-6-yl]-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.30 Å R-free 0.192 |
| 7NQ1 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 6-((S)-hydroxy(phenyl)methyl)-N2-methyl-N4-((1S,2S)-2-methylcyclopropyl)pyridine-2,4-dicarboxamide Deposited 2021-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 ULK ~{N}2-methyl-~{N}4-[(1~{S},2~{S})-2-methylcyclopropyl]-6-[(~{S})-oxidanyl(phenyl)methyl]pyridine-2,4-dicarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；of 30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.193 |
| 7NQ2 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N4-cyclopropyl-N2-methyl-6-(1-phenylethyl)pyridine-2,4-dicarboxamide Deposited 2021-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | ULE ~{N}4-cyclopropyl-~{N}2-methyl-6-[(1~{S})-1-phenylethyl]pyridine-2,4-dicarboxamide × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.74 Å R-free 0.194 |
| 7NQ3 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N4-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-6-((S)-methoxy(phenyl)methyl)-N2-methylpyridine-2,4-dicarboxamide Deposited 2021-02-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 ULQ 6-[(~{S})-methoxy(phenyl)methyl]-~{N}2-methyl-~{N}4-[(1~{S},5~{R})-3-oxabicyclo[3.1.0]hexan-6-yl]pyridine-2,4-dicarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.194 |
| 7NQ5 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 3-(2-(benzyloxy)phenyl)-5-methyl-1H-1,2,4-triazole Deposited 2021-03-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 ULB 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.188 |
| 7NQ7 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(1-phenylethoxy)benzamide Deposited 2021-03-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 UL8 ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.70 Å R-free 0.232 |
| 7NQ8 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide Deposited 2021-03-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 UM5 N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.205 |
| 7NQ9 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide Deposited 2021-03-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | UMB 6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.178 |
| 7NQI C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide Deposited 2021-03-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | UM8 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.205 |
| 7NQJ C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide Deposited 2021-03-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | UME N-ethyl-2-(1-methyl-1H-1,2,3-triazol-4-yl)-6-(1-phenylethyl)isonicotinamide × 1 EDO 1,2-ETHANEDIOL × 3 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.73 Å R-free 0.196 |
| 7OE4 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-methyl-4-propionyl-1H-pyrrole-2-carboxamide Deposited 2021-05-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 V9B N-methyl-4-propanoyl-1H-pyrrole-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.65 Å R-free 0.185 |
| 7OE5 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N5-hydroxycyclohexyl-N3-methyl-1-phenylethyl-1H-pyrazole-3,5-dicarboxamide Deposited 2021-05-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | V9H 3N-methyl-5N-(4-oxidanylcyclohexyl)-1-[(1S)-1-phenylethyl]pyrazole-3,5-dicarboxamide × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.188 |
| 7OE6 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N4-hydroxycyclohexyl-N2-methyl-5-phenylethyl-furan-2,4-dicarboxamide Deposited 2021-05-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | V9K 2N-methyl-4N-(4-oxidanylcyclohexyl)-5-[(1S)-1-phenylethyl]furan-2,4-dicarboxamide × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.76 Å R-free 0.189 |
| 7OE8 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N5-((1R,5S,6r)-3-oxabicyclo[3.1.0]hexan-6-yl)-3-(1H-indol-4-yl)-N7-methyl-2,3-dihydrobenzofuran-5,7-dicarboxamide Deposited 2021-05-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 V9Q (3S)-3-(1H-indol-4-yl)-N7-methyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-2,3-dihydro-1-benzofuran-5,7-dicarboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.30 Å R-free 0.215 |
| 7OE9 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH rac-N5-((1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl)-N7,3-dimethyl-3-phenyl-2,3-dihydrobenzofuran-5,7-dicarboxamide Deposited 2021-05-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | V9N (3S)-N7,3-dimethyl-N5-[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-phenyl-2H-1-benzofuran-5,7-dicarboxamide × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.201 |
| 7OEP C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-(1,3-dimethoxypropan-2-yl)-5-morpholino-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one Deposited 2021-05-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 NV2 5-[1-(1,3-dimethoxypropan-2-yl)-5-morpholin-4-yl-benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.80 Å R-free 0.237 |
| 7OER C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH N-(2,2-diphenylethyl)-1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-1,6-dihydropyridine-3-carboxamide Deposited 2021-05-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | VBH N-(2,2-diphenylethyl)-1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-pyridine-3-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.179 |
| 7OES C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,5-dimethyl-N-(2-(methylamino)-2-oxoethyl)-6-oxo-N-(2-phenylpropyl)-1,6-dihydropyridine-3-carboxamide Deposited 2021-05-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 VBE 1,5-dimethyl-N-[2-(methylamino)-2-oxidanylidene-ethyl]-6-oxidanylidene-N-[(2S)-2-phenylpropyl]pyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.183 |
| 7OET C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,5-dimethyl-N-(2-(methylamino)-2-oxo-1-(tetrahydro-2H-pyran-4-yl)ethyl)-6-oxo-N-(2-phenyl-2-(pyridin-2-yl)ethyl)-1,6-dihydropyridine-3-carboxamide Deposited 2021-09-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | 80Z 1,5-dimethyl-~{N}-[(1~{R})-2-(methylamino)-1-(oxan-4-yl)-2-oxidanylidene-ethyl]-6-oxidanylidene-~{N}-[(2~{S})-2-phenyl-2-pyridin-2-yl-ethyl]pyridine-3-carboxamide × 1 EDO 1,2-ETHANEDIOL × 3 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.41 Å R-free 0.196 |
| 7OGY C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1-benzyl-N5-cyclopropyl-N3-methyl-1H-pyrazole-3,5-dicarboxamide Deposited 2021-05-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 VE5 N5-cyclopropyl-N3-methyl-1-(phenylmethyl)pyrazole-3,5-dicarboxamide × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.192 |
| 7Q5O Bromodomain-containing 2 BD2 in complex with the inhibitor CRCM5484 Deposited 2021-11-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
346–454（109 aa）
|
Not recorded | 8M6 2-[[11-ethanoyl-4-(furan-2-ylmethyl)-3-oxidanylidene-8-thia-4,6,11-triazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl]-~{N}-(2-methylpyridin-3-yl)ethanamide × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；25% PEG3350, 100 mM potassium thiocyanate
|
Resolution 1.52 Å R-free 0.246 |
| 7USG BRD2-BD2 in complex with MDP5 Deposited 2022-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
Fragment：BD2
|
Not recorded | O6O (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one × 1 EDO 1,2-ETHANEDIOL × 2 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；298.15 K；0.1 M Bis-Tris pH 6.5, 16 % W/V PEG 3350
|
Resolution 1.20 Å R-free 0.197 |
| 7USH BRD2-BD2 in complex with SF2523 Deposited 2022-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
Fragment：BD2
|
Not recorded | 82V 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(morpholin-4-yl)-7H-thieno[3,2-b]pyran-7-one × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；289.15 K；0.1 M Bis-Tris pH 6.5, 16 % PEG 3350
|
Resolution 1.27 Å R-free 0.191 |
| 7USI BRD2-BD1 in complex with MDP5 Deposited 2022-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
73–183（111 aa）
Fragment：BD1
|
Not recorded | O6O (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 4 EDO 1,2-ETHANEDIOL × 5 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；289.15 K；0.2 M Sodium tartrate dibasic dihydrate pH 7.5 and 20 % w/v PEG 1000
|
Resolution 2.50 Å R-free 0.250 |
| 7USI BRD2-BD1 in complex with MDP5 Deposited 2022-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
73–183（111 aa）
Fragment：BD1
|
Not recorded | O6O (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；289.15 K；0.2 M Sodium tartrate dibasic dihydrate pH 7.5 and 20 % w/v PEG 1000
|
Resolution 2.50 Å R-free 0.250 |
| 7USI BRD2-BD1 in complex with MDP5 Deposited 2022-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
73–183（111 aa）
Fragment：BD1
|
Not recorded | O6O (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 3 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；289.15 K；0.2 M Sodium tartrate dibasic dihydrate pH 7.5 and 20 % w/v PEG 1000
|
Resolution 2.50 Å R-free 0.250 |
| 7USI BRD2-BD1 in complex with MDP5 Deposited 2022-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
73–183（111 aa）
Fragment：BD1
|
Not recorded | O6O (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one × 1 EDO 1,2-ETHANEDIOL × 1 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；289.15 K；0.2 M Sodium tartrate dibasic dihydrate pH 7.5 and 20 % w/v PEG 1000
|
Resolution 2.50 Å R-free 0.250 |
| 7USI BRD2-BD1 in complex with MDP5 Deposited 2022-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
73–183（111 aa）
Fragment：BD1
|
Not recorded | O6O (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one × 1 PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；289.15 K；0.2 M Sodium tartrate dibasic dihydrate pH 7.5 and 20 % w/v PEG 1000
|
Resolution 2.50 Å R-free 0.250 |
| 7USI BRD2-BD1 in complex with MDP5 Deposited 2022-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
73–183（111 aa）
Fragment：BD1
|
Not recorded | O6O (8M)-8-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(morpholin-4-yl)-4H-1-benzopyran-4-one × 1 EDO 1,2-ETHANEDIOL × 3 DMS DIMETHYL SULFOXIDE × 1 CL CHLORIDE ION × 1 PGE TRIETHYLENE GLYCOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；289.15 K；0.2 M Sodium tartrate dibasic dihydrate pH 7.5 and 20 % w/v PEG 1000
|
Resolution 2.50 Å R-free 0.250 |
| 7UU0 Crystal structure of the BRD2-BD2 in complex with a ligand Deposited 2022-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
297–408（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 QJ1 methyl (7S)-7-(thiophen-2-yl)-1,4-thiazepane-4-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；0.2M sodium acetate
20% polyethylene glycol 3350
|
Resolution 1.30 Å R-free 0.170 |
| 7VRH crystal structure of BRD2-BD1 in complex with guanosine analog Deposited 2021-10-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
|
Not recorded | AC2 9-HYROXYETHOXYMETHYLGUANINE × 2 DTT 2,3-DIHYDROXY-1,4-DITHIOBUTANE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.8M Ammonium sulfate
|
Resolution 2.20 Å R-free 0.241 |
| 7VRH crystal structure of BRD2-BD1 in complex with guanosine analog Deposited 2021-10-22 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
|
Not recorded | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.8M Ammonium sulfate
|
Resolution 2.20 Å R-free 0.241 |
| 7VRI crystal structure of BRD2-BD2 in complex with guanosine analog Deposited 2021-10-23 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Mutation：K358S, K363S | AC2 9-HYROXYETHOXYMETHYLGUANINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 2000, 50mM Tris, 50mM Nacl
|
Resolution 1.50 Å R-free 0.228 |
| 7VRK crystal structure of BRD2-BD1 in complex with purine derivative Deposited 2021-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
|
Not recorded | TEP THEOPHYLLINE × 3 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.1M MES
|
Resolution 2.48 Å R-free 0.236 |
| 7VRK crystal structure of BRD2-BD1 in complex with purine derivative Deposited 2021-10-23 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
|
Not recorded | TEP THEOPHYLLINE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.1M MES
|
Resolution 2.48 Å R-free 0.236 |
| 7VRM crystal structure of BRD2-BD2 in complex with purine derivative Deposited 2021-10-23 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
348–455（108 aa）
|
Not recorded | TEP THEOPHYLLINE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 2000, 50mM Tris, 50mM NaCl
|
Resolution 1.10 Å R-free 0.180 |
| 7VRO crystal structure of BRD2-BD1 in complex with purine derivative Deposited 2021-10-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
|
Not recorded | 37T THEOBROMINE × 3 SO4 SULFATE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.1M MES
|
Resolution 2.35 Å R-free 0.232 |
| 7VRO crystal structure of BRD2-BD1 in complex with purine derivative Deposited 2021-10-23 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
|
Not recorded | 37T THEOBROMINE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.1M MES
|
Resolution 2.35 Å R-free 0.232 |
| 7VRQ crystal structure of BRD2-BD2 in complex with purine derivative Deposited 2021-10-23 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Mutation：K427E | 37T THEOBROMINE × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 2000, 50mM Tris, 50mM NaCl
|
Resolution 1.15 Å R-free 0.165 |
| 7VRZ crystal structure of BRD2-BD1 in complex with purine derivative Deposited 2021-10-25 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
|
Not recorded | 7UH Doxofylline × 3 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.1M MES
|
Resolution 2.05 Å R-free 0.212 |
| 7VRZ crystal structure of BRD2-BD1 in complex with purine derivative Deposited 2021-10-25 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
|
Not recorded | 7UH Doxofylline × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.1M MES
|
Resolution 2.05 Å R-free 0.212 |
| 7VS0 crystal structure of BRD2-BD2 in complex with purine derivative Deposited 2021-10-25 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | 7UH Doxofylline × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 2000, 50mM Tris, 50mM NaCl
|
Resolution 1.25 Å R-free 0.179 |
| 7VS1 crystal structure of BRD2-BD2 in complex with purine derivative Deposited 2021-10-25 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
348–455（108 aa）
|
Mutation：K363S | 7UM 3-methyl-7-propyl-purine-2,6-dione × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 2000, 50mM Tris, 50mM NaCl
|
Resolution 1.25 Å R-free 0.185 |
| 7VSF crystal structure of BRD2-BD1 in complex with purine derivative Deposited 2021-10-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
73–194（122 aa）
Chain B
73–194（122 aa）
|
Not recorded | 7UM 3-methyl-7-propyl-purine-2,6-dione × 2 EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.1M MES
|
Resolution 2.50 Å R-free 0.255 |
| 7VSF crystal structure of BRD2-BD1 in complex with purine derivative Deposited 2021-10-26 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
73–194（122 aa）
|
Not recorded | 7UM 3-methyl-7-propyl-purine-2,6-dione × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；300 K；PEG MME 5000, 0.1M MES
|
Resolution 2.50 Å R-free 0.255 |
| 7WLN Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13153 Deposited 2022-01-13 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
224–335（112 aa）
Chain B
224–335（112 aa）
Chain C
224–335（112 aa）
Chain D
224–335（112 aa）
|
Not recorded | JFR 2-(2-cyclopentyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one × 4 DMS DIMETHYL SULFOXIDE × 1 PEG DI(HYDROXYETHYL)ETHER × 3 GOL GLYCEROL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；8% v/v Tacsimate pH 5.0, 20% w/v Polyethylene glycol 3,350
|
Resolution 2.85 Å R-free 0.232 |
| 7WMQ Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13157 Deposited 2022-01-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
224–335（112 aa）
Chain B
224–335（112 aa）
Chain C
224–335（112 aa）
Chain D
224–335（112 aa）
|
Not recorded | JFL 2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-7-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-5-methyl-furo[3,2-c]pyridin-4-one × 4 GOL GLYCEROL × 6 FMT FORMIC ACID × 15 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；3.5 M Sodium formate, 0.1 M Sodium acetate trihydrate pH 4.6
|
Resolution 2.37 Å R-free 0.211 |
| 7WMU Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13146 Deposited 2022-01-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
224–335（112 aa）
|
Not recorded | JGF ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(2-cyclobutyl-1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M Sodium chloride, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350
|
Resolution 1.73 Å R-free 0.185 |
| 7WN5 Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13142 Deposited 2022-01-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
224–335（112 aa）
Chain B
224–335（112 aa）
|
Not recorded | JGL ~{N}-[4-[2,4-bis(fluoranyl)phenoxy]-3-[2-(1~{H}-imidazol-5-yl)-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide × 2 EDO 1,2-ETHANEDIOL × 5 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M Potassium thiocyanate, 30% w/v Polyethylene glycol monomethyl ether 2,000
|
Resolution 1.70 Å R-free 0.269 |
| 7WNA Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13120 Deposited 2022-01-17 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric |
Chain A
224–335（112 aa）
Chain B
224–335（112 aa）
Chain C
224–335（112 aa）
Chain D
224–335（112 aa）
Chain E
224–335（112 aa）
Chain F
224–335（112 aa）
|
Not recorded | JGR ~{N}-[4-(4-fluoranyl-2,6-dimethyl-phenoxy)-3-[2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-4-oxidanylidene-furo[3,2-c]pyridin-7-yl]phenyl]ethanesulfonamide × 6 EDO 1,2-ETHANEDIOL × 2 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M Lithium sulfate monohydrate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350
|
Resolution 2.60 Å R-free 0.268 |
| 7WNI Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor Y13158 Deposited 2022-01-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
224–335（112 aa）
Chain B
224–335（112 aa）
|
Not recorded | JGU 7-[2-[2,4-bis(fluoranyl)phenoxy]-5-(2-oxidanylpropan-2-yl)phenyl]-2-[4-(2-hydroxyethyloxy)-3,5-dimethyl-phenyl]-5-methyl-furo[3,2-c]pyridin-4-one × 2 EDO 1,2-ETHANEDIOL × 4 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M Sodium malonate pH 4.0, 20% w/v Polyethylene glycol 3,350
|
Resolution 3.12 Å R-free 0.258 |
| 8B5G C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-3-methyl-1,3-dihydro-2H-benzo[d]azepin-2-one Deposited 2022-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 P4M 7,8-dimethoxy-3-methyl-1~{H}-3-benzazepin-2-one × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.62 Å R-free 0.183 |
| 8B5H C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (R)-7-((R)-1,2-dihydroxyethyl)-1,3-dimethyl-5-(1-methyl-1H-pyrazol-4-yl)-1,3-dihydro-2H-benzo[d]azepin-2-one Deposited 2022-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 7PE 2-(2-(2-(2-(2-(2-ETHOXYETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHOXY)ETHANOL × 1 P4X (1~{R})-7-[(1~{R})-1,2-bis(oxidanyl)ethyl]-1,3-dimethyl-5-(1-methylpyrazol-4-yl)-1~{H}-3-benzazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.179 |
| 8B5I C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one Deposited 2022-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 4 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 P0U (1~{R})-7,8-dimethoxy-1,3-dimethyl-1~{H}-3-benzazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.179 |
| 8B5J C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 7,8-dimethoxy-1,3-dimethyl-1,3-dihydro-2H-benzo[d]azepin-2-one Deposited 2022-09-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 P3R (5~{R})-7,8-dimethoxy-3,5-dimethyl-2,5-dihydro-1~{H}-3-benzazepin-4-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；273 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.171 |
| 8CV7 Peptide 2.2E in complex with BRD2-BD2 Deposited 2022-05-18 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
300–408（109 aa）
Fragment：BD2 (UNP residues 300-408)
|
Not recorded | ACE ACETYL GROUP × 1 NH2 AMINO GROUP × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M sodium fluoride, 0.1 M Bis-Tris propane, pH 8.5, 20% w/v PEG3350
|
Resolution 1.60 Å R-free 0.198 |
| 8CV7 Peptide 2.2E in complex with BRD2-BD2 Deposited 2022-05-18 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
300–408（109 aa）
Fragment：BD2 (UNP residues 300-408)
|
Not recorded | ACE ACETYL GROUP × 1 NH2 AMINO GROUP × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M sodium fluoride, 0.1 M Bis-Tris propane, pH 8.5, 20% w/v PEG3350
|
Resolution 1.60 Å R-free 0.198 |
| 8PX2 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 1,3-dimethyl-5-(1-((tetrahydro-2H-pyran-4-yl)methyl)-1H-benzo[d]imidazol-2-yl)pyridin-2(1H)-one Deposited 2023-07-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | NUB 1,3-dimethyl-5-[1-(oxan-4-ylmethyl)benzimidazol-2-yl]pyridin-2-one × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.62 Å R-free 0.177 |
| 8PX8 C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH (S)-5-(1-((1-acetylpiperidin-3-yl)methyl)-5-bromo-1H-benzo[d]imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one Deposited 2023-07-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 I0U 5-[5-bromanyl-1-[[(3~{S})-1-ethanoylpiperidin-3-yl]methyl]benzimidazol-2-yl]-1,3-dimethyl-pyridin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；293 K；30% PEG 300, 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.171 |
| 8UGU Crystal structure of the second bromodomain of human BRD2 in complex with 4IND Deposited 2023-10-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | PG0 2-(2-METHOXYETHOXY)ETHANOL × 1 59E methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2M sodium fluoride, and 20% (w/v) PEG3350
|
Resolution 2.34 Å R-free 0.195 |
| 8UGU Crystal structure of the second bromodomain of human BRD2 in complex with 4IND Deposited 2023-10-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
348–455（108 aa）
|
Not recorded | 59E methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2M sodium fluoride, and 20% (w/v) PEG3350
|
Resolution 2.34 Å R-free 0.195 |
| 8UGU Crystal structure of the second bromodomain of human BRD2 in complex with 4IND Deposited 2023-10-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
348–455（108 aa）
|
Not recorded | PG0 2-(2-METHOXYETHOXY)ETHANOL × 2 59E methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2M sodium fluoride, and 20% (w/v) PEG3350
|
Resolution 2.34 Å R-free 0.195 |
| 8UGU Crystal structure of the second bromodomain of human BRD2 in complex with 4IND Deposited 2023-10-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
348–455（108 aa）
|
Not recorded | PG0 2-(2-METHOXYETHOXY)ETHANOL × 1 59E methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；291 K；0.2M sodium fluoride, and 20% (w/v) PEG3350
|
Resolution 2.34 Å R-free 0.195 |
| 8UGV Crystal structure of the second bromodomain of human BRD2 in complex with 6IND Deposited 2023-10-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | WNX methyl [(4S,6P,10aM)-6-(1H-indol-6-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.1 M TRIS-HCl pH 8.5 and 28% (v/v) PEG 550 MME
|
Resolution 1.99 Å R-free 0.206 |
| 8UGV Crystal structure of the second bromodomain of human BRD2 in complex with 6IND Deposited 2023-10-06 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
348–455（108 aa）
|
Not recorded | WNX methyl [(4S,6P,10aM)-6-(1H-indol-6-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；291 K；0.1 M TRIS-HCl pH 8.5 and 28% (v/v) PEG 550 MME
|
Resolution 1.99 Å R-free 0.206 |
| 8WYG Crystal Structure of the second bromodomain of human BRD2 in complex with the inhibitor 22 Deposited 2023-10-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
344–455（112 aa）
Chain B
344–455（112 aa）
Chain C
344–455（112 aa）
Chain D
344–455（112 aa）
|
Not recorded | XHN 2-[[5-[2-(4-fluoranyl-2,6-dimethyl-phenoxy)-5-(2-oxidanylpropan-2-yl)phenyl]-1-methyl-2-oxidanylidene-pyridin-4-yl]amino]-~{N}-(4-oxidanylcyclohexyl)ethanamide × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；60% v/v Tacsimate pH 7.0
|
Resolution 3.13 Å R-free 0.257 |
| 8Z69 Crystal Structure of the second bromodomain of human BRD2 BD2 in complex with the inhibitor Y13195 Deposited 2024-04-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 4 PDB declaration: tetrameric |
Chain A
224–335（112 aa）
Chain B
224–335（112 aa）
Chain C
224–335（112 aa）
Chain D
224–335（112 aa）
|
Not recorded | A1L0Y 7-(2-(4-fluoro-2,6-dimethylphenoxy)-5-(2-hydroxypropan-2-yl)phenyl)-5-methyl-2-(2-phenyl-1H-imidazol-5-yl)furo[3,2-c]pyridin-4(5H)-one × 4 FMT FORMIC ACID × 10 GOL GLYCEROL × 4 EDO 1,2-ETHANEDIOL × 7 NA SODIUM ION × 2 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；3.5 M Sodium formate, 0.1 M Sodium acetate trihydrate pH 4.6
|
Resolution 1.77 Å R-free 0.199 |
| 9D5O Crystal structure of the second bromodomain of human BRD2 in complex with 3IND Deposited 2024-08-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | A1A12 methyl [(4S,6M,10aM)-6-(1H-indol-3-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.2 M Ammonium tartrate dibasic pH 7.0, and 18% (w/v) PEG3350
|
Resolution 3.20 Å R-free 0.260 |
| 9D5O Crystal structure of the second bromodomain of human BRD2 in complex with 3IND Deposited 2024-08-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
348–455（108 aa）
|
Not recorded | A1A12 methyl [(4S,6M,10aM)-6-(1H-indol-3-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 PG0 2-(2-METHOXYETHOXY)ETHANOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.2 M Ammonium tartrate dibasic pH 7.0, and 18% (w/v) PEG3350
|
Resolution 3.20 Å R-free 0.260 |
| 9D5O Crystal structure of the second bromodomain of human BRD2 in complex with 3IND Deposited 2024-08-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
348–455（108 aa）
|
Not recorded | A1A12 methyl [(4S,6M,10aM)-6-(1H-indol-3-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.2 M Ammonium tartrate dibasic pH 7.0, and 18% (w/v) PEG3350
|
Resolution 3.20 Å R-free 0.260 |
| 9D5O Crystal structure of the second bromodomain of human BRD2 in complex with 3IND Deposited 2024-08-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
348–455（108 aa）
|
Not recorded | A1A12 methyl [(4S,6M,10aM)-6-(1H-indol-3-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；0.2 M Ammonium tartrate dibasic pH 7.0, and 18% (w/v) PEG3350
|
Resolution 3.20 Å R-free 0.260 |
| 9FBX C-TERMINAL BROMODOMAIN OF HUMAN BRD2 WITH 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one Deposited 2024-05-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
344–455（112 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 PE4 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL × 1 A1IBV 5-(1-benzyl-4-chloro-1H-imidazol-2-yl)-1,3-dimethylpyridin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；30% PEG 300 0.1M MES buffer pH6.5
|
Resolution 1.60 Å R-free 0.175 |
| 9L61 Crystal Structure of BRD2 BD2 domain in complex with small molecule inhibitor Mivebresib ABBV-075 Deposited 2024-12-23 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
347–455（109 aa）
Fragment：BD2 domain
Chain B
347–455（109 aa）
Fragment：BD2 domain
|
Not recorded | 8NG N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；298 K；0.1M Bis tris (5.5), 25% PEG 3350, 0.2M Sod chloride
|
Resolution 2.40 Å R-free 0.304 |
| 9L6M Crystal Structure of BRD2 BD1 domain in complex with small molecule inhibitor Isoxazole azepine compound. Deposited 2024-12-24 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
67–200（134 aa）
Fragment：BD1 domain
Chain B
67–200（134 aa）
Fragment：BD1 domain
|
Not recorded | 1XB 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298.15 K；0.1M HEPES (7.5), 26% PEG 3350, 0.2M Amm sulphate
|
Resolution 1.78 Å R-free 0.248 |
| 9L6M Crystal Structure of BRD2 BD1 domain in complex with small molecule inhibitor Isoxazole azepine compound. Deposited 2024-12-24 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
67–200（134 aa）
Fragment：BD1 domain
|
Not recorded | 1XB 2-[(6S)-4-(4-chlorophenyl)-2,3,9-trimethyl-6H-[1,2]oxazolo[5,4-c]thieno[2,3-e]azepin-6-yl]acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；298.15 K；0.1M HEPES (7.5), 26% PEG 3350, 0.2M Amm sulphate
|
Resolution 1.78 Å R-free 0.248 |
| 9MPG BRD2-BD1 in complex with cyclic peptide 2.1A Deposited 2024-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
65–194（130 aa）
Chain D
65–194（130 aa）
|
Not recorded | GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350
|
Resolution 1.80 Å R-free 0.218 |
| 9MPG BRD2-BD1 in complex with cyclic peptide 2.1A Deposited 2024-12-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain B
65–194（130 aa）
Chain C
65–194（130 aa）
|
Not recorded | GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3,350
|
Resolution 1.80 Å R-free 0.218 |
| 9MPJ BRD2-BD1 in complex with cyclic peptide 2.1C Deposited 2024-12-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
65–194（130 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.002 M Zinc chloride, 0.1 M Tris pH 8.0, 20 % w/v PEG 6000
|
Resolution 2.92 Å R-free 0.243 |
| 9MPJ BRD2-BD1 in complex with cyclic peptide 2.1C Deposited 2024-12-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
65–194（130 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.002 M Zinc chloride, 0.1 M Tris pH 8.0, 20 % w/v PEG 6000
|
Resolution 2.92 Å R-free 0.243 |
| 9MPJ BRD2-BD1 in complex with cyclic peptide 2.1C Deposited 2024-12-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
65–194（130 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.002 M Zinc chloride, 0.1 M Tris pH 8.0, 20 % w/v PEG 6000
|
Resolution 2.92 Å R-free 0.243 |
| 9MPJ BRD2-BD1 in complex with cyclic peptide 2.1C Deposited 2024-12-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
65–194（130 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.002 M Zinc chloride, 0.1 M Tris pH 8.0, 20 % w/v PEG 6000
|
Resolution 2.92 Å R-free 0.243 |
| 9MPL BRD2-BD1 in complex with cyclic peptide 2.1C-W11A Deposited 2024-12-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
65–194（130 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M Lithium chloride, 0.1 M Sodium acetate pH 5.0, 20 % w/v PEG 6000
|
Resolution 3.11 Å R-free 0.268 |
| 9MPL BRD2-BD1 in complex with cyclic peptide 2.1C-W11A Deposited 2024-12-30 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
65–194（130 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；0.2 M Lithium chloride, 0.1 M Sodium acetate pH 5.0, 20 % w/v PEG 6000
|
Resolution 3.11 Å R-free 0.268 |
| 9NN3 BET BRD2-BD1 in complex with peptide 6.2 Deposited 2025-03-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
75–185（111 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M tri-Sodium citrate pH 5.5 PEG 3000
|
Resolution 1.60 Å R-free 0.182 |
| 9NN3 BET BRD2-BD1 in complex with peptide 6.2 Deposited 2025-03-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
75–185（111 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291.15 K；0.1 M tri-Sodium citrate pH 5.5 PEG 3000
|
Resolution 1.60 Å R-free 0.182 |
| 9QRK Structure of BromoCatch: Brd2BD2 L383A,D434C in complex with MR116. Deposited 2025-04-03 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
348–455（108 aa）
|
Not recorded | A1I9R methyl (2R)-2-[4,5,13-trimethyl-7-[4-(propanoylamino)phenyl]-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,7,10,12-pentaen-9-yl]butanoate × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；Morpheus: PEG 500 MME 40% (v/v), PEG 20,000 20 % (w/v), 0.12 M ethylene glycols, 0.1 M Tris-BICINE pH 8.5
|
Resolution 1.30 Å R-free 0.163 |
| 9X7C Crystal Structure of BRD2 BD1 domain in complex with small molecule inhibitor Mivebresib ABBV-075 Deposited 2025-10-16 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
76–183（108 aa）
Chain B
76–183（108 aa）
|
Not recorded | 8NG N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1M Hepes (7.5),
26% PEG 3350,
0.2M Amm sulphate
|
Resolution 2.30 Å R-free 0.284 |
| 9X7C Crystal Structure of BRD2 BD1 domain in complex with small molecule inhibitor Mivebresib ABBV-075 Deposited 2025-10-16 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
76–183（108 aa）
|
Not recorded | 8NG N-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]ethanesulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；1M Hepes (7.5),
26% PEG 3350,
0.2M Amm sulphate
|
Resolution 2.30 Å R-free 0.284 |
164 other PDB entries and 259 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | BRD2_HUMAN |
| Isoform | P25440-2 |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 5–112； UniProt 348–455 Author chain B； PDBConstruct 5–112； UniProt 348–455 Author chain C； PDBConstruct 5–112； UniProt 348–455 Author chain D； PDBConstruct 5–112； UniProt 348–455 Author chain E； PDBConstruct 5–112； UniProt 348–455 Author chain F； PDBConstruct 5–112； UniProt 348–455 |
