|
2KTB
Solution Structure of the Second Bromodomain of Human Polybromo in complex with an acetylated peptide from Histone 3
Deposited 2010-01-26
|
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 B
174–293(120 aa)
Fragment:Polybromo Bromdomain 2
|
Not recorded
|
No recorded non-water small molecule
|
SOLUTION NMR
NMR measurement conditions
pH 6.5;298 K;Ionic strength (raw mmCIF value) 0.1;Pressure ambient
NMR sample composition
0.5 mM [U-100% 15N] Polybromo Bromdomain2, 2.5 mM H3 Peptide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.5 mM [U-100% 13C; U-100% 15N] Polybromo Bromdomain2, 2.5 mM H3 Peptide, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.8 mM [U-100% 13C; U-100% 15N] Polybromo Bromdomain2, 8 mM H3 Peptide, 100% D2O | 100% D2O
|
Resolution not provided
|
|
3G0J
Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Deposited 2009-01-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.2M Na_nitrate, 25% w/v PEG 3350, 5% v/v ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.237
|
|
3G0J
Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Deposited 2009-01-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 3
NO3 NITRATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.2M Na_nitrate, 25% w/v PEG 3350, 5% v/v ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.237
|
|
3HMF
Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Deposited 2009-05-29
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
178–291(114 aa)
Fragment:bromodomain, UNP residues 178-291
|
Not recorded
|
ZN ZINC ION × 2
EDO 1,2-ETHANEDIOL × 1
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;0.01M Zn_Cl, 15w/v PEG_6000, 10v/v ethylene_glycol, 5.5pH MES, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.63 Å
R-free 0.199
|
|
3HMF
Crystal Structure of the second Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Deposited 2009-05-29
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
178–291(114 aa)
Fragment:bromodomain, UNP residues 178-291
|
Not recorded
|
ZN ZINC ION × 4
EDO 1,2-ETHANEDIOL × 2
CL CHLORIDE ION × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;0.01M Zn_Cl, 15w/v PEG_6000, 10v/v ethylene_glycol, 5.5pH MES, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.63 Å
R-free 0.199
|
|
3IU5
Crystal structure of the first bromodomain of human poly-bromodomain containing protein 1 (PB1)
Deposited 2009-08-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
43–154(112 aa)
Fragment:Bromo 1 domain: UNP residues 43-154
|
Not recorded
|
No recorded non-water small molecule
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;2.1M Na malate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.63 Å
R-free 0.204
|
|
3IU6
Crystal structure of the sixth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Deposited 2009-08-30
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
773–914(142 aa)
Fragment:Bromo 6 domain: UNP residues 773-914
|
Non-standard monomer:Yes (specific site not provided by mmCIF)
|
EDO 1,2-ETHANEDIOL × 3
ZN ZINC ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;277 K;0.01M ZnCl2, 0.1M Tris-HCl pH 8.0, 20% PEG 6000, 10% Ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.79 Å
R-free 0.202
|
|
3K2J
Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Deposited 2009-09-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
388–494(107 aa)
Fragment:Bromo 3 domain, UNP residues 388-494
|
Not recorded
|
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;0.1M NaOAc.3H20 pH 5.5, 1.1M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.20 Å
R-free 0.270
|
|
3K2J
Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Deposited 2009-09-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
388–494(107 aa)
Fragment:Bromo 3 domain, UNP residues 388-494
|
Not recorded
|
SO4 SULFATE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;0.1M NaOAc.3H20 pH 5.5, 1.1M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.20 Å
R-free 0.270
|
|
3K2J
Crystal Structure of the 3rd Bromodomain of Human Poly-bromodomain containing protein 1 (PB1)
Deposited 2009-09-30
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
388–494(107 aa)
Fragment:Bromo 3 domain, UNP residues 388-494
Chain B
388–494(107 aa)
Fragment:Bromo 3 domain, UNP residues 388-494
|
Not recorded
|
CL CHLORIDE ION × 2
SO4 SULFATE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;0.1M NaOAc.3H20 pH 5.5, 1.1M (NH4)2SO4, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.20 Å
R-free 0.270
|
|
3LJW
Crystal Structure of the Second Bromodomain of Human Polybromo
Deposited 2010-01-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
174–293(120 aa)
Fragment:Bromodomain 2 (UNP residues 174-293)
|
Not recorded
|
ACT ACETATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;298 K;35% PEG 4000, 10 mM Sodium Acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.50 Å
R-free 0.197
|
|
3LJW
Crystal Structure of the Second Bromodomain of Human Polybromo
Deposited 2010-01-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
174–293(120 aa)
Fragment:Bromodomain 2 (UNP residues 174-293)
|
Not recorded
|
ACT ACETATE ION × 1
NA SODIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;298 K;35% PEG 4000, 10 mM Sodium Acetate, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K
|
Resolution 1.50 Å
R-free 0.197
|
|
3MB4
Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP
Deposited 2010-03-25
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 2
MB3 1-methylpyrrolidin-2-one × 1
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.15M NaNO3
25% PEG 3350
10% Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.66 Å
R-free 0.219
|
|
3MB4
Crystal Structure of the fifth Bromodomain of Human Poly-bromodomain containing protein 1 (PB1) with NMP
Deposited 2010-03-25
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 3
MB3 1-methylpyrrolidin-2-one × 1
CL CHLORIDE ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.15M NaNO3
25% PEG 3350
10% Ethylene Glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.66 Å
R-free 0.219
|
|
3TLP
Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Deposited 2011-08-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
496–637(142 aa)
Fragment:UNP residues 496-637
|
Not recorded
|
NI NICKEL (II) ION × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277 K;25% PEG_MME_2000, 0.015M NiCl, 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.13 Å
R-free 0.249
|
|
3TLP
Crystal structure of the fourth bromodomain of human poly-bromodomain containing protein 1 (PB1)
Deposited 2011-08-30
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
496–637(142 aa)
Fragment:UNP residues 496-637
|
Not recorded
|
NI NICKEL (II) ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277 K;25% PEG_MME_2000, 0.015M NiCl, 0.1M Tris pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 2.13 Å
R-free 0.249
|
|
4Q0N
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Deposited 2014-04-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 1
2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350
10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.214
|
|
4Q0N
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Deposited 2014-04-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350
10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.214
|
|
4Q0N
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Deposited 2014-04-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 1
2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350
10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.214
|
|
4Q0N
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Deposited 2014-04-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 1
2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350
10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.214
|
|
4Q0N
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Deposited 2014-04-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 5
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain E
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 2
2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350
10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.214
|
|
4Q0N
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Deposited 2014-04-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 6
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain F
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 1
2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350
10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.214
|
|
4Q0N
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Deposited 2014-04-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 7
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain G
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 2
2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350
10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.214
|
|
4Q0N
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Deposited 2014-04-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 8
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain H
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 1
2XD (2E)-1-(2-hydroxyphenyl)-3-(2,4,5,7-tetrahydro-6H-pyrazolo[3,4-c]pyridin-6-yl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;0.20M Na(malonate), 0.1M BTProp pH 6.5, 20.0% PEG 3350
10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.78 Å
R-free 0.214
|
|
4Q0O
Crystal Structure of the fifth bromodomain of Human Poly-bromodomain containing protein 1 (PB1) in complex with a hydroxyphenyl-propenone ligand
Deposited 2014-04-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
K POTASSIUM ION × 1
2XC (2E)-1-(2-hydroxyphenyl)-3-[(3R)-3-phenylpiperidin-1-yl]prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 6.5;277 K;0.20M K3(cit), 0.1M BTProp pH 6.5, 20.0% PEG 3350, 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.83 Å
R-free 0.224
|
|
4Y03
Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid
Deposited 2015-02-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
SAL 2-HYDROXYBENZOIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;K3(citrate), 20% PEG3350, 10% EtGly
|
Resolution 1.94 Å
R-free 0.281
|
|
4Y03
Crystal Structure of the fifth bromodomain of human PB1 in complex with salicylic acid
Deposited 2015-02-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
SAL 2-HYDROXYBENZOIC ACID × 1
CIT CITRIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;K3(citrate), 20% PEG3350, 10% EtGly
|
Resolution 1.94 Å
R-free 0.281
|
|
5E7D
Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand
Deposited 2015-10-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
5KL (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.2M Na2SO4
20w/v PEG_3350
10v/v ethylene_glycol
|
Resolution 1.87 Å
R-free 0.248
|
|
5E7D
Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand
Deposited 2015-10-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
5KL (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.2M Na2SO4
20w/v PEG_3350
10v/v ethylene_glycol
|
Resolution 1.87 Å
R-free 0.248
|
|
5E7D
Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand
Deposited 2015-10-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
5KL (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.2M Na2SO4
20w/v PEG_3350
10v/v ethylene_glycol
|
Resolution 1.87 Å
R-free 0.248
|
|
5E7D
Crystal Structure of the fifth bromodomain of human PB1 in complex with a hydroxyphenyl ligand
Deposited 2015-10-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
645–766(122 aa)
Fragment:UNP residues 645-766
|
Not recorded
|
5KL (2E)-3-(dimethylamino)-1-(2-hydroxyphenyl)prop-2-en-1-one × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.2M Na2SO4
20w/v PEG_3350
10v/v ethylene_glycol
|
Resolution 1.87 Å
R-free 0.248
|
|
5FH6
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
|
Not recorded
|
5XM (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;0.2 M LiSO4, 0.1 M bis-tris pH 6.5, 25% PEG 3350
|
Resolution 2.30 Å
R-free 0.310
|
|
5FH6
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
|
Not recorded
|
5XM (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;0.2 M LiSO4, 0.1 M bis-tris pH 6.5, 25% PEG 3350
|
Resolution 2.30 Å
R-free 0.310
|
|
5FH6
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
645–766(122 aa)
|
Not recorded
|
5XM (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;0.2 M LiSO4, 0.1 M bis-tris pH 6.5, 25% PEG 3350
|
Resolution 2.30 Å
R-free 0.310
|
|
5FH6
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 10
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
645–766(122 aa)
|
Not recorded
|
5XM (3~{R})-3-(piperidin-1-ylmethyl)-2,3-dihydro-1~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;0.2 M LiSO4, 0.1 M bis-tris pH 6.5, 25% PEG 3350
|
Resolution 2.30 Å
R-free 0.310
|
|
5FH7
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 2
5XL 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;0.1 M magnesium formate, 15% PEG 3350
|
Resolution 1.47 Å
R-free 0.208
|
|
5FH7
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 18
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
|
Not recorded
|
5XL 6-chloranyl-3-[(dimethylamino)methyl]-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;0.1 M magnesium formate, 15% PEG 3350
|
Resolution 1.47 Å
R-free 0.208
|
|
5FH8
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
|
Not recorded
|
5XK 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
DMS DIMETHYL SULFOXIDE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;10% MPD, 0.1 M bicine pH 9
|
Resolution 1.55 Å
R-free 0.224
|
|
5FH8
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
|
Not recorded
|
5XK 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;10% MPD, 0.1 M bicine pH 9
|
Resolution 1.55 Å
R-free 0.224
|
|
5FH8
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
645–766(122 aa)
|
Not recorded
|
5XK 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;10% MPD, 0.1 M bicine pH 9
|
Resolution 1.55 Å
R-free 0.224
|
|
5FH8
Crystal structure of the fifth bromodomain of human PB1 in complex with compound 28
Deposited 2015-12-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
645–766(122 aa)
|
Not recorded
|
5XK 6-chloranyl-3-(2-ethylbutyl)-4~{H}-pyrrolo[1,2-a]quinazolin-5-one × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277.15 K;10% MPD, 0.1 M bicine pH 9
|
Resolution 1.55 Å
R-free 0.224
|
|
5HRV
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Deposited 2016-01-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
613–734(122 aa)
Fragment:UNP Residues 613-734
|
Not recorded
|
64C 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.1 M tris-sodium citrate dihydrate pH 5.6, 20% isopropanol, 20% PEG4K
|
Resolution 1.70 Å
R-free 0.208
|
|
5HRW
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Deposited 2016-01-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
613–734(122 aa)
Fragment:UNP Residues 613-734
|
Not recorded
|
64E 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one × 1
EDO 1,2-ETHANEDIOL × 4
SO4 SULFATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.2 M ammonium sulfate, 0.1 M MES pH 6.5, 30% PEGMME5k
|
Resolution 1.80 Å
R-free 0.236
|
|
5HRW
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Deposited 2016-01-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
613–734(122 aa)
Fragment:UNP Residues 613-734
|
Not recorded
|
64E 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.2 M ammonium sulfate, 0.1 M MES pH 6.5, 30% PEGMME5k
|
Resolution 1.80 Å
R-free 0.236
|
|
5HRX
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Deposited 2016-01-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
613–734(122 aa)
Fragment:UNP Residues 613-734
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 2
64F 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.1M lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 30% PEG4K
|
Resolution 1.73 Å
R-free 0.254
|
|
5HRX
Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound
Deposited 2016-01-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
613–734(122 aa)
Fragment:UNP Residues 613-734
|
Not recorded
|
64F 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.1M lithium sulfate monohydrate, 0.1 M Tris pH 8.5, 30% PEG4K
|
Resolution 1.73 Å
R-free 0.254
|
|
5II1
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one
Deposited 2016-03-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
|
Not recorded
|
6BL 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.1;277 K;18% PEG_3350
0.15M Na_malonate_pH7.0
10v/v ethylene_glycol
0.1M bis_tris_propane pH 8.1
|
Resolution 2.02 Å
R-free 0.255
|
|
5II1
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 1-methylisochromeno[3,4-c]pyrazol-5(3H)-one
Deposited 2016-03-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
|
Not recorded
|
6BL 1-methyl[2]benzopyrano[3,4-c]pyrazol-5(3H)-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.1;277 K;18% PEG_3350
0.15M Na_malonate_pH7.0
10v/v ethylene_glycol
0.1M bis_tris_propane pH 8.1
|
Resolution 2.02 Å
R-free 0.255
|
|
5II2
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Deposited 2016-03-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
|
Not recorded
|
K POTASSIUM ION × 1
CIT CITRIC ACID × 1
LU2 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.20M K3(cit)
0.1M BTProp pH 7.5
20.0% PEG 3350
10.0% EtGly
|
Resolution 2.10 Å
R-free 0.227
|
|
5II2
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one
Deposited 2016-03-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
|
Not recorded
|
K POTASSIUM ION × 1
LU2 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4H-chromen-4-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.5;277 K;0.20M K3(cit)
0.1M BTProp pH 7.5
20.0% PEG 3350
10.0% EtGly
|
Resolution 2.10 Å
R-free 0.227
|
|
5IID
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one
Deposited 2016-03-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
|
Not recorded
|
6BK 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277 K;0.20M Na2SO4
0.1M BTProp pH 8.5
20.0% PEG 3350
10.0% EtGly
|
Resolution 2.40 Å
R-free 0.282
|
|
5IID
Crystal Structure of the fifth bromodomain of human polybromo (PB1) in complex with 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-chromen-4-one
Deposited 2016-03-01
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
|
Not recorded
|
6BK 2-(3,4-dihydroxyphenyl)-5-hydroxy-4H-1-benzopyran-4-one × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8.5;277 K;0.20M Na2SO4
0.1M BTProp pH 8.5
20.0% PEG 3350
10.0% EtGly
|
Resolution 2.40 Å
R-free 0.282
|
|
6OXB
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
Deposited 2019-05-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
934–1105(172 aa)
|
Not recorded
|
SO4 SULFATE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;292 K;0.1 M Tris HCl pH 8.0
18% sucrose
1.9 M Ammonium sulfate
|
Resolution 1.86 Å
R-free 0.217
|
|
6OXB
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
Deposited 2019-05-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
934–1105(172 aa)
|
Not recorded
|
SO4 SULFATE ION × 6
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;292 K;0.1 M Tris HCl pH 8.0
18% sucrose
1.9 M Ammonium sulfate
|
Resolution 1.86 Å
R-free 0.217
|
|
6OXB
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
Deposited 2019-05-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
934–1105(172 aa)
|
Not recorded
|
SO4 SULFATE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;292 K;0.1 M Tris HCl pH 8.0
18% sucrose
1.9 M Ammonium sulfate
|
Resolution 1.86 Å
R-free 0.217
|
|
6OXB
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
Deposited 2019-05-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
934–1105(172 aa)
|
Not recorded
|
SO4 SULFATE ION × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;292 K;0.1 M Tris HCl pH 8.0
18% sucrose
1.9 M Ammonium sulfate
|
Resolution 1.86 Å
R-free 0.217
|
|
6OXB
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
Deposited 2019-05-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 5
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain E
934–1105(172 aa)
|
Not recorded
|
SO4 SULFATE ION × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;292 K;0.1 M Tris HCl pH 8.0
18% sucrose
1.9 M Ammonium sulfate
|
Resolution 1.86 Å
R-free 0.217
|
|
6OXB
First bromo-adjacent homology (BAH) domain of human Polybromo-1 (PBRM1)
Deposited 2019-05-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 6
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain F
934–1105(172 aa)
|
Not recorded
|
SO4 SULFATE ION × 5
CL CHLORIDE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;292 K;0.1 M Tris HCl pH 8.0
18% sucrose
1.9 M Ammonium sulfate
|
Resolution 1.86 Å
R-free 0.217
|
|
6ZN6
Protein polybromo-1 (PB1 BD2) Bound To MW278
Deposited 2020-07-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
178–291(114 aa)
|
Not recorded
|
QMT 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;0.2 M NaCl
25% (w/v) PEG3350
0.1 M bis-tris pH 5.5
|
Resolution 2.02 Å
R-free 0.278
|
|
6ZN6
Protein polybromo-1 (PB1 BD2) Bound To MW278
Deposited 2020-07-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
178–291(114 aa)
|
Not recorded
|
QMT 2-[6-azanyl-5-[(3~{R})-3-phenoxypiperidin-1-yl]pyridazin-3-yl]phenol × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;0.2 M NaCl
25% (w/v) PEG3350
0.1 M bis-tris pH 5.5
|
Resolution 2.02 Å
R-free 0.278
|
|
6ZNV
Protein polybromo-1 (PB1 BD2) Bound To DP28
Deposited 2020-07-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
178–291(114 aa)
|
Not recorded
|
QMW 1-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperidin-4-ol × 1
ZN ZINC ION × 2
EDO 1,2-ETHANEDIOL × 1
CL CHLORIDE ION × 1
ACT ACETATE ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.4;277 K;0.005 M zinc acetate
20% (w/v) PEG 3350
|
Resolution 1.14 Å
R-free 0.205
|
|
6ZS3
Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
Deposited 2020-07-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
|
Not recorded
|
FX5 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol × 1
EDO 1,2-ETHANEDIOL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22% (w/v) PEG 3350, 0.2 M sodium malonate, 10% (v/v) ethylene glycol, 0.1 M bis-tris propane pH 7.1
|
Resolution 1.67 Å
R-free 0.243
|
|
6ZS3
Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with 2-(6-amino-5-(piperazin-1-yl)pyridazin-3-yl)phenol
Deposited 2020-07-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
645–766(122 aa)
|
Not recorded
|
FX5 2-(6-azanyl-5-piperazin-4-ium-1-yl-pyridazin-3-yl)phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;22% (w/v) PEG 3350, 0.2 M sodium malonate, 10% (v/v) ethylene glycol, 0.1 M bis-tris propane pH 7.1
|
Resolution 1.67 Å
R-free 0.243
|
|
6ZS4
Crystal structure of the fifth bromodomain of human protein polybromo-1 in complex with tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate
Deposited 2020-07-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
645–766(122 aa)
|
Not recorded
|
QP8 tert-butyl 4-[3-amino-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazine-1-carboxylate × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;277 K;30% PEG 5000 MME, 0.2 M (NH4)2SO4, 0.1 M MES pH 5.8
|
Resolution 2.00 Å
R-free 0.230
|
|
7VDV
The overall structure of human chromatin remodeling PBAF-nucleosome complex
Deposited 2021-09-07
|
Different construct
Different oligomeric state
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein–DNA
Heteromer;Protein × 22
PDB declaration: 24-meric
|
Chain a
631–1689(1059 aa)
|
Not recorded
|
BEF BERYLLIUM TRIFLUORIDE ION × 1
MG MAGNESIUM ION × 1
ADP ADENOSINE-5'-DIPHOSPHATE × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.5
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.40 Å
|
|
8FTA
Crystal Structure of the second bromodomain of human Polybromo-1 (PB1) in complex with compound 16
Deposited 2023-01-11
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
178–291(114 aa)
|
Not recorded
|
Y8X (2S)-5-chloro-2-(3-methylphenyl)-2,3-dihydroquinazolin-4(1H)-one × 1
ZN ZINC ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 5.5;277 K;0.1 M MES pH 5.5, 14.4% PEG 8000, 10% Ethylene Glycol, 0.01M ZnCl2
|
Resolution 1.78 Å
R-free 0.207
|