CREB-binding protein
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 1081–1312 | Fragment：Bromodomain (UNP residue 1081-1312) | ZN ZINC ION × 3 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 BKJ 1-{3-[3-(1-methyl-1H-pyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one × 1 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION；pH 6.5；277 K；0.2 M Li2SO4, 0.1M Bis-Tris pH 6.5, 19% PEG3350 | Resolution 2.05 Å R-free 0.242 |
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 6ALB | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1JSP NMR Structure of CBP Bromodomain in complex with p53 peptide Deposited 2001-08-17 | 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
1081–1197（117 aa）
Fragment：bromodomain
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6.5；298 K；Pressure ambient
NMR measurement conditions
pH 6.5；298 K；Pressure ambient
NMR measurement conditions
pH 6.5；298 K；Pressure ambient
NMR measurement conditions
pH 6.5；298 K；Pressure ambient
NMR sample composition
0.5mM CBP bromodomain U-15N; 0.5mM P53 peptide; 100mM phosphate buffer; pH 6.5 | 90% H2O/10% D2O
NMR sample composition
0.5mM CBP bromodomain U-15N,13C; 0.5mM P53 peptide;100mM phosphate buffer; pH 6.5 | 90% H2O/10% D2O
NMR sample composition
0.5mM CBP bromodomain U-15N,13C; 0.5mM P53 peptide;100mM phosphate buffer; pH 6.5 | 99.9%D2O
NMR sample composition
0.5mM CBP bromodomain U-15N,13C,75% 2H; 0.5mM P53 peptide;100mM phosphate buffer; pH 6.5 | 90% H2O/10% D2O
|
Resolution not provided |
| 1LIQ Non-native Solution Structure of a fragment of the CH1 domain of CBP Deposited 2002-04-18 | 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
376–402（27 aa）
Fragment：RESIDUES 1-27
|
Not recorded | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 6.5；275 K；Pressure ambient
NMR sample composition
0.4mM CBP(376-402), 0.6mM TCEP, 0.6mM ZnSO4, 95% H2O, 10% D2O | 95% H2O, 10% D2O
NMR sample composition
0.4mM CBP(376-402), 0.6mM TCEP, 0.6mM ZnSO4, 100% D2O | 100% D2O
|
Resolution not provided |
| 1WO3 Solution structure of Minimal Mutant 1 (MM1): Multiple alanine mutant of non-native CHANCE domain Deposited 2004-08-12 | Different construct Different mutation/modification 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
376–400（25 aa）
Fragment：CBP
|
Mutation：E1A, R3S, S6A, H9K, R11A, T12A, M13A, K14A, L17A, N18A, Q24A, A25K | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 6.9；275 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
0.4mM MM1, 0.5mM TCEP, 1mM ZnSO4, 5% D2O | 95% H2O/5% D2O
NMR sample composition
0.4mM MM1, 0.5mM TCEP, 1mM ZnSO4, 100% D2O | 100% D2O
|
Resolution not provided |
| 1WO4 Solution structure of Minimal Mutant 2 (MM2): Multiple alanine mutant of non-native CHANCE domain Deposited 2004-08-12 | Different construct Different mutation/modification 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
376–400（25 aa）
Fragment：CBP
|
Mutation：E1A, R3S, S6A, P8S, H9K, R11A, T12A, M13A, K14A, L17A, N18A, Q24A, A25K | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 6.9；275 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
0.4mM MM2, 0.5mM TCEP, 1mM ZnSO4, 5% D2O | 95% H2O/5% D2O
NMR sample composition
0.4mM MM2, 0.5mM TCEP, 1mM ZnSO4, 100% D2O | 100% D2O
|
Resolution not provided |
| 1WO5 Solution structure of Designed Functional Finger 2 (DFF2): Designed mutant based on non-native CHANCE domain Deposited 2004-08-12 | Different construct Different mutation/modification 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
376–400（25 aa）
Fragment：CBP
|
Mutation：E1R, R3I, S6F, P8K, H9V, R11A, T12A, M13A, K14A, L17A, N18A, Q24A, A25K | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 6.9；275 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
0.3mM DFF2, 0.5mM TCEP, 1mM ZnSO4, 5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 1WO6 Solution structure of Designed Functional Finger 5 (DFF5): Designed mutant based on non-native CHANCE domain Deposited 2004-08-12 | Different construct Different mutation/modification 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
376–400（25 aa）
Fragment：CBP
|
Mutation：E1A, R3Y, A4Y, S6I, H9K, R11A, T12A, M13A, K14A, L17A, N18A, M20T, Q24F, A25K | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7.2；275 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
0.3mM DFF5, 0.5mM TCEP, 1mM ZnSO4, 5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 1WO7 Solution structure of Designed Functional Finger 7 (DFF7): Designed mutant based on non-native CHANCE domain Deposited 2004-08-12 | Different construct Different mutation/modification 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
376–400（25 aa）
Fragment：CBP
|
Mutation：E1F, R3S, A4T, S6Y, H9K, R11A, T12A, M13A, K14A, L17A, N18A, M20I, Q24Y, A25K | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；275 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
0.25mM DFF7, 0.5mM TCEP, 1mM ZnSO4, 5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 1ZOQ IRF3-CBP complex Deposited 2005-05-13 | 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 C
2065–2111（47 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.2 M ammonium acetate, 0.15 M Mg acetate, 5% (v/v) PEG 4000, 50 mM Na HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.37 Å R-free 0.226 |
| 1ZOQ IRF3-CBP complex Deposited 2005-05-13 | 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 D
2065–2111（47 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；0.2 M ammonium acetate, 0.15 M Mg acetate, 5% (v/v) PEG 4000, 50 mM Na HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.37 Å R-free 0.226 |
| 2D82 Target Structure-Based Discovery of Small Molecules that Block Human p53 and CREB Binding Protein (CBP) Association Deposited 2005-12-01 | 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
1081–1197（117 aa）
Fragment：Bromodomain
|
Not recorded | TTR 9-ACETYL-2,3,4,9-TETRAHYDRO-1H-CARBAZOL-1-ONE × 1 |
SOLUTION NMR
NMR measurement conditions
pH 6.5；298 K；Pressure AMBIENT
NMR sample composition
0.5MM CBP BROMODOMAIN U-15N, 13C; 3.0MM CRB Ligand; 100MM PHOSPHATE BUFFER; PH 6.5 | 100% D2O
NMR sample composition
0.5MM CBP BROMODOMAIN U-15N, 13C, 75% 2H; 3.0MM CRB Ligand; 100MM PHOSPHATE BUFFER; PH 6.5 | 90% H2O/10% D2O
|
Resolution not provided |
| 2KJE NMR structure of CBP TAZ2 and adenoviral E1A complex Deposited 2009-05-27 | 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
1763–1854（92 aa）
Fragment：UNP residues 1763-1854
|
Not recorded | ZN ZINC ION × 3 |
SOLUTION NMR
NMR measurement conditions
pH 6.8；298 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
1-1.5 mM [U-100% 13C; U-100% 15N] TRIS-1, 1-1.5 mM [U-100% 15N] TRIS-2, 100% D2O | 100% D2O
|
Resolution not provided |
| 2KWF The structure of E-protein activation domain 1 bound to the KIX domain of CBP/p300 elucidates leukemia induction by E2A-PBX1 Deposited 2010-04-08 | 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
587–673（87 aa）
Fragment：UNP residues 587-673, KIX domain
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6；298 K；Ionic strength (raw mmCIF value) 0；Pressure ambient
NMR sample composition
1 mM DSS-1, 20 mM MES-2, 1 mM beta-mercaptoethanol-3, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2L84 Solution NMR structures of CBP bromodomain with small molecule j28 Deposited 2011-01-03 | 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
1081–1197（117 aa）
Fragment：Bromo domain residues 1081-1197
|
Not recorded | J28 5-[(E)-(2-amino-4-hydroxy-5-methylphenyl)diazenyl]-2,4-dimethylbenzenesulfonic acid × 1 |
SOLUTION NMR
NMR measurement conditions
pH 6.5；298 K；Pressure ambient
NMR sample composition
0.5 mM [U-100% 13C; U-100% 15N] protein, 3 mM J28, 100 mM sodium phosphate, 3 mM [U-100% 2H] DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.5 mM [U-100% 13C; U-100% 15N] protein, 3 mM J28, 100 mM sodium phosphate, 3 mM [U-100% 2H] DTT, 100% D2O | 100% D2O
|
Resolution not provided |
| 2L85 Solution NMR structures of CBP bromodomain with small molecule of HBS Deposited 2011-01-04 | 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
1081–1197（117 aa）
Fragment：BROMO DOMAIN residues 1081-1197
|
Not recorded | L85 4-[(E)-(4-hydroxyphenyl)diazenyl]benzenesulfonic acid × 1 |
SOLUTION NMR
NMR measurement conditions
pH 6.5；298 K；Pressure ambient
NMR sample composition
0.5 mM [U-100% 13C; U-100% 15N] protein, 3 mM (E)-4-((4-hydroxyphenyl)diazenyl)benzenesulfonic acid, 100 mM sodium phosphate, 3 mM [U-100% 2H] DTT, 90% H2O/10% D2O | 90% H2O/10% D2O
NMR sample composition
0.5 mM [U-100% 13C; U-100% 15N] protein, 3 mM (E)-4-((4-hydroxyphenyl)diazenyl)benzenesulfonic acid, 100 mM sodium phosphate, 3 mM [U-100% 2H] DTT, 100% D2O | 100% D2O
|
Resolution not provided |
| 2LXS Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core Deposited 2012-08-31 | 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
587–673（87 aa）
Fragment：UNP RESIDUES 587-673
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 5.8；300 K；Pressure ambient
NMR sample composition
1 mM [U-100% 13C; U-100% 15N] entity_1-1, 2 mM [U-100% 13C; U-100% 15N] entity_2-2, 25 mM sodium chloride-3, 50 mM potassium phosphate-4, 1 mM sodium azide-5, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2LXT Allosteric communication in the KIX domain proceeds through dynamic re-packing of the hydrophobic core Deposited 2012-08-31 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
587–673（87 aa）
Fragment：UNP RESIDUES 587-673
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 5.8；300 K；Pressure ambient
NMR sample composition
1 mM [U-100% 13C; U-100% 15N] entity_1-1, 2 mM entity_2-2, 2 mM [U-100% 13C; U-100% 15N] entity_3-3, 25 mM sodium chloride-4, 50 mM potassium phosphate-5, 1 mM sodium azide-6, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2N1A Docked structure between SUMO1 and ZZ-domain from CBP Deposited 2015-03-26 | 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
1699–1751（53 aa）
|
Not recorded | ZN ZINC ION × 2 |
SOLUTION NMR
NMR measurement conditions
pH 6；298 K；Pressure ambient
NMR sample composition
20 mM MES, 93% H2O/7% D2O | 93% H2O/7% D2O
NMR sample composition
20 mM MES, 90% H2O, 10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2RNY Complex Structures of CBP Bromodomain with H4 ack20 Peptide Deposited 2008-02-03 | 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
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
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
0.5mM [U-100% 13C; U-100% 15N] sodium phosphate, 100% D2O | 100% D2O
|
Resolution not provided |
| 3DWY Crystal Structure of the Bromodomain of Human CREBBP Deposited 2008-07-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：Bromo domain: residues 1084-1197
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M KSCN, 25% PEG3350, 5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.98 Å R-free 0.219 |
| 3DWY Crystal Structure of the Bromodomain of Human CREBBP Deposited 2008-07-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：Bromo domain: residues 1084-1197
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M KSCN, 25% PEG3350, 5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.98 Å R-free 0.219 |
| 3P1C Crystal structure of the bromodomain of human CREBBP in complex with acetylated lysine Deposited 2010-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | ALY N(6)-ACETYLLYSINE × 1 SCN THIOCYANATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M KSCN
25% PEG3350
5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.82 Å R-free 0.218 |
| 3P1C Crystal structure of the bromodomain of human CREBBP in complex with acetylated lysine Deposited 2010-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | ALY N(6)-ACETYLLYSINE × 1 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M KSCN
25% PEG3350
5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.82 Å R-free 0.218 |
| 3P1D Crystal structure of the bromodomain of human CREBBP in complex with N-Methyl-2-pyrrolidone (NMP) Deposited 2010-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：Bromo domain, UNP residues 1081-1197
|
Not recorded | SCN THIOCYANATE ION × 1 MB3 1-methylpyrrolidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M KSCN
20% PEG3350
5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.86 Å R-free 0.218 |
| 3P1D Crystal structure of the bromodomain of human CREBBP in complex with N-Methyl-2-pyrrolidone (NMP) Deposited 2010-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：Bromo domain, UNP residues 1081-1197
|
Not recorded | MB3 1-methylpyrrolidin-2-one × 1 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M KSCN
20% PEG3350
5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.86 Å R-free 0.218 |
| 3P1E Crystal structure of the bromodomain of human CREBBP in complex with dimethyl sulfoxide (DMSO) Deposited 2010-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：Bromo domain, UNP residues 1081-1197
|
Not recorded | SCN THIOCYANATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M KSCN
25% PEG3350
5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.236 |
| 3P1E Crystal structure of the bromodomain of human CREBBP in complex with dimethyl sulfoxide (DMSO) Deposited 2010-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：Bromo domain, UNP residues 1081-1197
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.2M KSCN
25% PEG3350
5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.236 |
| 3P1F Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand Deposited 2010-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：Bromo domain, UNP residues 1081-1197
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 K POTASSIUM ION × 1 3PF 3-methyl-3,4-dihydroquinazolin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.15M KSCN
20% PEG3350
10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.63 Å R-free 0.218 |
| 3P1F Crystal structure of the bromodomain of human CREBBP in complex with a hydroquinazolin ligand Deposited 2010-09-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：Bromo domain, UNP residues 1081-1197
|
Not recorded | EDO 1,2-ETHANEDIOL × 5 K POTASSIUM ION × 1 3PF 3-methyl-3,4-dihydroquinazolin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.15M KSCN
20% PEG3350
10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.63 Å R-free 0.218 |
| 3SVH Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand Deposited 2011-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | KRG 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.25M KSCN, 10% PEG 3350, 5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.224 |
| 3SVH Crystal Structure of the bromdomain of human CREBBP in complex with a 3,5-dimethylisoxazol ligand Deposited 2011-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | KRG 3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-ethoxybenzoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.25M KSCN, 10% PEG 3350, 5% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.80 Å R-free 0.224 |
| 4A9K BROMODOMAIN OF HUMAN CREBBP WITH N-(4-hydroxyphenyl)acetamide Deposited 2011-11-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：BROMODOMAIN, RESIDUES 1081-1197
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 TYL N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) × 1 SCN THIOCYANATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
277 K；150 MM KSCN, 20% PEG 3350, 4 DEGREES CELSIUS.
|
Resolution 1.81 Å R-free 0.197 |
| 4A9K BROMODOMAIN OF HUMAN CREBBP WITH N-(4-hydroxyphenyl)acetamide Deposited 2011-11-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：BROMODOMAIN, RESIDUES 1081-1197
|
Not recorded | TYL N-(4-HYDROXYPHENYL)ACETAMIDE (TYLENOL) × 1 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
277 K；150 MM KSCN, 20% PEG 3350, 4 DEGREES CELSIUS.
|
Resolution 1.81 Å R-free 0.197 |
| 4N3W Crystal Structure of the Bromodomain-PHD Finger Module of Human Transcriptional Co-Activator CBP in complex with Acetylated Histone 4 Peptide (H4K20ac). Deposited 2013-10-07 | 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
1080–1316（237 aa）
Fragment：Bromodomain-PHD Finger Module, residues 1080-1316
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；25% PEG 3,350, 0.2 M magnesium chloride, and 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.90 Å R-free 0.286 |
| 4N4F Crystal Structure of the Bromodomain-PHD Finger Module of Human Transcriptional Co-Activator CBP in complex with di-Acetylated Histone 4 Peptide (H412acK16ac). Deposited 2013-10-08 | 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
1080–1316（237 aa）
Fragment：Bromodomain residues 1080-1316
|
Not recorded | ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；293 K；20% PEG MME 2,000, 0.2 M trimethylamine N-oxide, and 0.1 M Tris, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 1.83 Å R-free 0.241 |
| 4NR4 Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand Deposited 2013-11-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 2LK 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.1M MgCl, 0.1M Tris pH 8.0, 20% PEG 6K, 10% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.69 Å R-free 0.192 |
| 4NR4 Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand Deposited 2013-11-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 2LK 1-(4-chlorobenzyl)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazole × 2 EDO 1,2-ETHANEDIOL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.1M MgCl, 0.1M Tris pH 8.0, 20% PEG 6K, 10% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.69 Å R-free 0.192 |
| 4NR5 Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand Deposited 2013-11-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 2LL 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole × 1 NO3 NITRATE ION × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.20M NaNO3, 20.0% PEG 3350, 10.0% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.66 Å R-free 0.226 |
| 4NR6 Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand Deposited 2013-11-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 2LN 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；0.10M MgCl2, 0.1M MES pH 6.0, 20.0% PEG 6K, 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.66 Å R-free 0.231 |
| 4NR7 Crystal structure of the bromodomain of human CREBBP in complex with an isoxazolyl-benzimidazole ligand Deposited 2013-11-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 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 6；277 K；0.20M NH4Cl, 0.1M MES pH 6.0, 20.0% PEG 6K, 10.0% EtGly, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.20 Å R-free 0.144 |
| 4NYV Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand Deposited 2013-12-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 15E 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.15M KSCN, 25% PEG_3350, 5% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.83 Å R-free 0.251 |
| 4NYV Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand Deposited 2013-12-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 15E 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.15M KSCN, 25% PEG_3350, 5% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.83 Å R-free 0.251 |
| 4NYV Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand Deposited 2013-12-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 15E 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.15M KSCN, 25% PEG_3350, 5% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.83 Å R-free 0.251 |
| 4NYV Crystal Structure of the Bromodomain of human CREBBP in complex with a quinazolin-one ligand Deposited 2013-12-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 15E 6-bromo-3-methyl-3,4-dihydroquinazolin-2(1H)-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.15M KSCN, 25% PEG_3350, 5% ethylene glycol, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.83 Å R-free 0.251 |
| 4NYW Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand Deposited 2013-12-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | SCN THIOCYANATE ION × 1 2O3 (3R)-N-[3-(3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG 3350, 9% Ethylene Glycol, 0.18M KSCN, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.43 Å R-free 0.187 |
| 4NYX Crystal Structure of the Bromodomain of human CREBBP in complex with a dihydroquinoxalinone ligand Deposited 2013-12-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 2O4 (3R)-N-[3-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)propyl]-3-methyl-2-oxo-1,2,3,4-tetrahydroquinoxaline-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；277 K；0.05M CaCl2, 0.1M TRIS, 20.0% PEG 6K, 10.0% EtGly, pH 8.0, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.10 Å R-free 0.135 |
| 4OUF Crystal Structure of CBP bromodomain Deposited 2014-02-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：Bromo domain: residues 1082-1197
|
Not recorded | PEG DI(HYDROXYETHYL)ETHER × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1 M HEPES-Na pH 7.0, 0.2M KSCN, 25% PEG3350 and 5% Ethylene Glycol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.40 Å R-free 0.191 |
| 4OUF Crystal Structure of CBP bromodomain Deposited 2014-02-17 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
Fragment：Bromo domain: residues 1082-1197
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.1 M HEPES-Na pH 7.0, 0.2M KSCN, 25% PEG3350 and 5% Ethylene Glycol, VAPOR DIFFUSION, HANGING DROP, temperature 277K
|
Resolution 1.40 Å R-free 0.191 |
| 4TQN Crystal structure of the bromodomain of human CREBBP in complex with UL04 Deposited 2014-06-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric |
Chain A
1081–1197（117 aa）
Fragment：Kinase domain, Residues 1081-1197
|
Not recorded | UL4 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M MES pH 6.5, 0.1M MgCl2, 20% PEG 6000, 10% EtGly
|
Resolution 1.70 Å R-free 0.199 |
| 4TS8 Crystal structure of the bromodomain of human CREBBP in complex with XZ08 Deposited 2014-06-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: Monomeric |
Chain A
1081–1197（117 aa）
Fragment：Kinase domain, residues 1081-1197
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 XZ8 4-(1-acetyl-1H-indol-3-yl)-5-methyl-1,2-dihydro-3H-pyrazol-3-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.1M MES pH 6.5, 0.1M MgCl2, 20% PEG 3350 10% EtGly
|
Resolution 2.00 Å R-free 0.254 |
| 4WHU BROMO domain of CREB binding protein Deposited 2014-09-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 3OT 2-methoxy-4-{1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazol-5-yl}cyclohepta-2,4,6-trien-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；obtained through screen with Hampton Research kits (HT and Index)
|
Resolution 2.11 Å R-free 0.261 |
| 4YK0 Crystal structure of the CBP bromodomain in complex with CPI098 Deposited 2015-03-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1045–1158（114 aa）
Fragment：bromodomain
|
Not recorded | 986 (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1M Bis-Tris, pH 6.5
27% PEG3350
0.1M magnesium chloride
|
Resolution 1.65 Å R-free 0.269 |
| 4YK0 Crystal structure of the CBP bromodomain in complex with CPI098 Deposited 2015-03-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1045–1158（114 aa）
Fragment：bromodomain
|
Not recorded | 986 (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1M Bis-Tris, pH 6.5
27% PEG3350
0.1M magnesium chloride
|
Resolution 1.65 Å R-free 0.269 |
| 4YK0 Crystal structure of the CBP bromodomain in complex with CPI098 Deposited 2015-03-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1045–1158（114 aa）
Fragment：bromodomain
|
Not recorded | 986 (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1M Bis-Tris, pH 6.5
27% PEG3350
0.1M magnesium chloride
|
Resolution 1.65 Å R-free 0.269 |
| 4YK0 Crystal structure of the CBP bromodomain in complex with CPI098 Deposited 2015-03-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1045–1158（114 aa）
Fragment：bromodomain
|
Not recorded | 986 (4R)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.1M Bis-Tris, pH 6.5
27% PEG3350
0.1M magnesium chloride
|
Resolution 1.65 Å R-free 0.269 |
| 5CGP Selective pharmacological inhibition of the CREB binding protein bromodomain regulates inflammatory cytokines in macrophages and RGS4 in neurons Deposited 2015-07-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 53W 5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[2-(4-methoxyphenyl)ethyl]-1-[2-(morpholin-4-yl)ethyl]-1H-benzimidazole × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；15-20% PEG 8000, 0.2M CaAcetate, 0.1 M cacodylate ph 6-7
|
Resolution 1.96 Å R-free 0.249 |
| 5DBM Crystal structure of the CBP bromodomain in complex with CPI703 Deposited 2015-08-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain (UNP residues 1082-1197)
|
Not recorded | 58N (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；277 K；0.1 M BICINE:NaOH pH 9.0, 20% (w/v) PEG 6000 (CPI703)
|
Resolution 1.86 Å R-free 0.220 |
| 5DBM Crystal structure of the CBP bromodomain in complex with CPI703 Deposited 2015-08-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
Fragment：bromodomain (UNP residues 1082-1197)
|
Not recorded | 58N (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；277 K；0.1 M BICINE:NaOH pH 9.0, 20% (w/v) PEG 6000 (CPI703)
|
Resolution 1.86 Å R-free 0.220 |
| 5DBM Crystal structure of the CBP bromodomain in complex with CPI703 Deposited 2015-08-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1082–1197（116 aa）
Fragment：bromodomain (UNP residues 1082-1197)
|
Not recorded | 58N (4R)-6-(1-tert-butyl-1H-pyrazol-4-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 9；277 K；0.1 M BICINE:NaOH pH 9.0, 20% (w/v) PEG 6000 (CPI703)
|
Resolution 1.86 Å R-free 0.220 |
| 5EIC Crystal structure of the bromodomain of human CREBBP in complex with AYC Deposited 2015-10-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.2M KSCN, 20% PEG3350, 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.50 Å R-free 0.209 |
| 5EIC Crystal structure of the bromodomain of human CREBBP in complex with AYC Deposited 2015-10-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | 5J5 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.2M KSCN, 20% PEG3350, 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.50 Å R-free 0.209 |
| 5ENG Crystal structure of the bromodomain of human CREBBP in complex with UP39 Deposited 2015-11-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | 5QN methyl 2-[2-(3,5-dihydro-2~{H}-pyrazin-4-yl)ethoxy]-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]benzoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.2M KSCN, 20% PEG3350, 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.30 Å R-free 0.172 |
| 5EP7 Crystal structure of the bromodomain of human CREBBP in complex with UN32 Deposited 2015-11-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 5QR 3-[(1-methyl-6-oxidanylidene-pyridin-3-yl)carbonylamino]benzoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.2M KSCN, 20% PEG3350, 10% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.20 Å R-free 0.176 |
| 5GH9 Crystal structure of CBP Bromodomain with H3K56ac peptide Deposited 2016-06-19 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1081–1196（116 aa）
Fragment：UNP residues 1081-1196
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；0.05 M Cadmium sulfate hydrate, 0.1 M HEPES, 1.0 M Sodium acetate trihydrate,
|
Resolution 1.45 Å R-free 0.176 |
| 5H85 Crystal structure of the bromodomain of human CREBBP in complex with UO37D Deposited 2015-12-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 5XS methyl 3-(7~{H}-purin-6-ylcarbamoyl)benzoate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.15M KSCN, 20% PEG 3350, 10% EtGly
|
Resolution 1.70 Å R-free 0.199 |
| 5I83 Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02773986 Deposited 2016-02-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain (UNP residues 1082-1197)
|
Not recorded | SCN THIOCYANATE ION × 1 68Y (4R)-4-methyl-7-[(1R)-1-phenylethoxy]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.5, 5% v/v ethylene glycol, 23% PEG3350
|
Resolution 1.35 Å R-free 0.188 |
| 5I86 Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 Deposited 2016-02-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain (UNP residues 1082-1197)
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 SCN THIOCYANATE ION × 1 69A (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.5, 5% v/v ethylene glycol, 23% PEG3350
|
Resolution 1.05 Å R-free 0.161 |
| 5I86 Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02778174 Deposited 2016-02-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
Fragment：bromodomain (UNP residues 1082-1197)
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 69A (4R)-N-benzyl-4-methyl-2-oxo-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.5, 5% v/v ethylene glycol, 23% PEG3350
|
Resolution 1.05 Å R-free 0.161 |
| 5I89 Crystal structure of the bromodomain of human CREBBP bound to the benzodiazepinone G02857790 Deposited 2016-02-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain (UNP residues 1082-1197)
|
Not recorded | ACT ACETATE ION × 1 CA CALCIUM ION × 1 69B (4R)-6-(3-cyclopropyl-1-methyl-1H-indazol-5-yl)-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；0.2 M calcium acetate hydrate, and 20% w/v PEG3350
|
Resolution 1.07 Å R-free 0.137 |
| 5I8B CBP in complex with Cpd23 ((R)-6-(3-(benzyloxy)phenyl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) Deposited 2016-02-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1312（232 aa）
|
Not recorded | ZN ZINC ION × 3 69F (4R)-6-[3-(benzyloxy)phenyl]-4-methyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 EDO 1,2-ETHANEDIOL × 5 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Bis-Tris pH 8,
0.2 M sodium thiocyanate
19-23% PEG 3350
|
Resolution 1.52 Å R-free 0.200 |
| 5I8G CBP in complex with Cpd637 ((R)-4-methyl-6-(1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one) Deposited 2016-02-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1312（232 aa）
|
Not recorded | ZN ZINC ION × 3 69E (4R)-4-methyl-6-[1-methyl-3-(1-methyl-1H-pyrazol-4-yl)-1H-indazol-5-yl]-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one × 1 B3P 2-[3-(2-HYDROXY-1,1-DIHYDROXYMETHYL-ETHYLAMINO)-PROPYLAMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL × 1 EDO 1,2-ETHANEDIOL × 5 NA SODIUM ION × 1 PEG DI(HYDROXYETHYL)ETHER × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8；277 K；containing 0.1 M Bis-Tris pH 8,
0.2 M sodium thiocyanate
19-23% PEG 3350
|
Resolution 1.41 Å R-free 0.210 |
| 5J0D Crystal structure of the bromodomain of human CREBBP in complex with a benzoxazepine compound Deposited 2016-03-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | 6F9 7-(3,5-dimethoxyphenyl)-N-[(3S)-1-methylpiperidin-3-yl]-4-propanoyl-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；277 K；25% PEG3350, 0.2 M MgCl2, 0.1M BisTris pH 7.5
|
Resolution 1.05 Å R-free 0.197 |
| 5JEM Complex of IRF-3 with CBP Deposited 2016-04-18 | 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 C
2065–2111（47 aa）
Fragment：UNP residues 2065-2111
Chain D
2065–2111（47 aa）
Fragment：UNP residues 2065-2111
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M HEPES pH 7.5, 25% PEG 3350
|
Resolution 2.50 Å R-free 0.242 |
| 5JEM Complex of IRF-3 with CBP Deposited 2016-04-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain F
2065–2111（47 aa）
Fragment：UNP residues 2065-2111
Chain H
2065–2111（47 aa）
Fragment：UNP residues 2065-2111
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M HEPES pH 7.5, 25% PEG 3350
|
Resolution 2.50 Å R-free 0.242 |
| 5KTU Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold Deposited 2016-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain (UNP residues 1082-1197)
|
Not recorded | 6XB 1-(3-phenylazanyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M magnesium chloride, 0.1 M Bis-Tris pH 6.5, and 25% polyethylene glycol (PEG) 3350
|
Resolution 1.38 Å R-free 0.212 |
| 5KTU Crystal structure of the bromodomain of human CREBBP bound to pyrazolopiperidine scaffold Deposited 2016-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
Fragment：bromodomain (UNP residues 1082-1197)
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M magnesium chloride, 0.1 M Bis-Tris pH 6.5, and 25% polyethylene glycol (PEG) 3350
|
Resolution 1.38 Å R-free 0.212 |
| 5KTW CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) Deposited 2016-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1085–1196（112 aa）
Fragment：bromodomain (UNP residues 1085-1196)
|
Not recorded | 6XG 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.2 M potassium thiocyanate,
0.1 M Bis-Tris pH 5.5,
5% v/v ethylene glycol,
23% PEG 3350
|
Resolution 1.09 Å R-free 0.176 |
| 5KTW CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) Deposited 2016-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1085–1196（112 aa）
Fragment：bromodomain (UNP residues 1085-1196)
|
Not recorded | 6XG 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.2 M potassium thiocyanate,
0.1 M Bis-Tris pH 5.5,
5% v/v ethylene glycol,
23% PEG 3350
|
Resolution 1.09 Å R-free 0.176 |
| 5KTW CREBBP bromodomain in complex with Cpd 44 (3-((5-acetyl-1-(cyclopropylmethyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)amino)-N-isopropylbenzamide) Deposited 2016-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1085–1196（112 aa）
Fragment：bromodomain (UNP residues 1085-1196)
|
Not recorded | 6XG 3-[[1-(cyclopropylmethyl)-5-ethanoyl-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-3-yl]amino]-~{N}-propan-2-yl-benzamide × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；277 K；0.2 M potassium thiocyanate,
0.1 M Bis-Tris pH 5.5,
5% v/v ethylene glycol,
23% PEG 3350
|
Resolution 1.09 Å R-free 0.176 |
| 5KTX CREBBP bromodomain in complex with Cpd59 ((S)-1-(3-((2-fluoro-4-(1-methyl-1H-pyrazol-4-yl)phenyl)amino)-1-(tetrahydrofuran-3-yl)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone) Deposited 2016-07-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1085–1196（112 aa）
Fragment：bromodomain (UNP residues 1085-1196)
|
Not recorded | 6XH 1-[3-[[2-fluoranyl-4-(1-methylpyrazol-4-yl)phenyl]amino]-1-[(3~{S})-oxolan-3-yl]-6,7-dihydro-4~{H}-pyrazolo[4,3-c]pyridin-5-yl]ethanone × 1 EDO 1,2-ETHANEDIOL × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.5；287 K；0.2 M potassium thiocyanate,
0.1 M Bis-Tris pH 5.5,
5% v/v ethylene glycol,
23% PEG 3350
|
Resolution 1.27 Å R-free 0.172 |
| 5LPJ Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM1 Deposited 2016-08-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | XDM ~{N}-[(3-chlorophenyl)methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 6.5；277 K；LiSO4, PEG 3350
|
Resolution 1.65 Å R-free 0.196 |
| 5LPL Crystal structure of the bromodomain of human CREBBP bound to the inhibitor XDM3c Deposited 2016-08-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | 71X ~{N}-[(1~{R},2~{R})-7-chloranyl-2-oxidanyl-1,2,3,4-tetrahydronaphthalen-1-yl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 7.5；277 K；NaCl, PEG 3350
|
Resolution 1.65 Å R-free 0.210 |
| 5MME Crystal structure of CREBBP bromodomain complexd with US46C 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
1081–1197（117 aa）
|
Not recorded | 8Q6 dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Cacodylate, pH6.5, 0.2 M Calcium acetate, 18% PEG8000
|
Resolution 1.35 Å R-free 0.176 |
| 5MME Crystal structure of CREBBP bromodomain complexd with US46C Deposited 2016-12-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | 8Q6 dimethyl 5-[(5-ethanoyl-2-ethoxy-phenyl)amino]benzene-1,3-dicarboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Cacodylate, pH6.5, 0.2 M Calcium acetate, 18% PEG8000
|
Resolution 1.35 Å R-free 0.176 |
| 5MMG Crystal structure of CREBBP bromodomain complexed with UT07C 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
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | UT0 1-[4-ethoxy-3-[(1-methylsulfonylindol-6-yl)amino]phenyl]ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.15 M KSCN, 10% Ethylene Glycol, 20% PEG3350
|
Resolution 1.23 Å R-free 0.163 |
| 5MPK Crystal structure of CREBBP bromodomain complexed with DK19 Deposited 2016-12-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | 0BC ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES-Na, pH7.5, 0.2 M MgCl2, 25% P3350
|
Resolution 1.90 Å R-free 0.239 |
| 5MPK Crystal structure of CREBBP bromodomain complexed with DK19 Deposited 2016-12-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | 0BC ~{N}-(5-ethanoyl-2-ethoxy-phenyl)-3-(2~{H}-1,2,3,4-tetrazol-5-yl)-5-(1,3-thiazol-4-yl)benzamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；277 K；0.1 M HEPES-Na, pH7.5, 0.2 M MgCl2, 25% P3350
|
Resolution 1.90 Å R-free 0.239 |
| 5MPN Crystal structure of CREBBP bromodomain complexed with FA26 Deposited 2016-12-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | YE5 1-[4-ethoxy-3-[3-(2~{H}-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]ethanone × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；277 K；0.2 M MgCl2, 0.1 M Bis-Tris, pH6.5, 5% EG, 23% PEG3350
|
Resolution 1.23 Å R-free 0.167 |
| 5MPZ Crystal structure of CREBBP bromodomain complexed with CBP007 Deposited 2016-12-19 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | 4I8 methyl 2-oxidanylidene-3~{H}-1,3-benzoxazole-6-carboxylate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M MgCl2, 0.1 M Bis-Tris, pH 6.5, 5% v/v ethylene glycol, 23% PEG3350
|
Resolution 1.40 Å R-free 0.176 |
| 5MQE Crystal structure of CREBBP bromodomain complexed with CBP006 Deposited 2016-12-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | PKU 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.5, 5% v/v ethylene glycol, 23% PEG3350
|
Resolution 1.65 Å R-free 0.225 |
| 5MQE Crystal structure of CREBBP bromodomain complexed with CBP006 Deposited 2016-12-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | PKU 4-bromanyl-~{N}-methyl-1~{H}-pyrrole-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.5, 5% v/v ethylene glycol, 23% PEG3350
|
Resolution 1.65 Å R-free 0.225 |
| 5MQG Crystal structure of CREBBP bromodomain complexed with CBP015 Deposited 2016-12-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | F31 1-(4-azanyl-3-methoxy-phenyl)ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.5, 5% v/v ethylene glycol, 23% PEG3350
|
Resolution 1.35 Å R-free 0.191 |
| 5MQG Crystal structure of CREBBP bromodomain complexed with CBP015 Deposited 2016-12-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | F31 1-(4-azanyl-3-methoxy-phenyl)ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M potassium thiocyanate, 0.1 M Bis-Tris, pH 5.5, 5% v/v ethylene glycol, 23% PEG3350
|
Resolution 1.35 Å R-free 0.191 |
| 5MQK Crystal structure of CREBBP bromodomain complexed with CBP019 Deposited 2016-12-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | QPR 1-(1-methylindol-3-yl)ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.15 M KSCN, 20% PEG3350, 10% EG
|
Resolution 1.53 Å R-free 0.210 |
| 5MQK Crystal structure of CREBBP bromodomain complexed with CBP019 Deposited 2016-12-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | QPR 1-(1-methylindol-3-yl)ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.15 M KSCN, 20% PEG3350, 10% EG
|
Resolution 1.53 Å R-free 0.210 |
| 5NLK Crystal structure of CREBBP bromodomain complexd with US13A Deposited 2017-04-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | 92E ~{N}-[3-acetamido-5-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M Buffer System 3, pH8.5, 37.50% v/v MPD_P1K_P3350, 0.09 M NPS
|
Resolution 1.80 Å R-free 0.216 |
| 5NRW Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM4 Deposited 2017-04-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：bromodomain, UNP residues 1081-1197
|
Not recorded | 96N 4-ethanoyl-3-ethyl-5-methyl-~{N}-(naphthalen-1-ylmethyl)-1~{H}-pyrrole-2-carboxamide × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 6.5；277 K；LiSO4, PEG 3350, ethylene glycol
|
Resolution 1.70 Å R-free 0.260 |
| 5NU3 Crystal structure of the human bromodomain of CREBBP bound to the inhibitor XDM-CBP Deposited 2017-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：bromodomain
|
Not recorded | 99E ~{N}-[[2,8-bis(oxidanyl)naphthalen-1-yl]methyl]-4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrole-2-carboxamide × 1 BU3 (R,R)-2,3-BUTANEDIOL × 4 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 6.5；277 K；LiSO4, PEG 3350, ethylene glycol
|
Resolution 1.75 Å R-free 0.200 |
| 5OWK Crystal structure of CREBBP bromodomain complexed with DSPB2A002 Deposited 2017-09-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | 7MX ethyl 4-chloranyl-1-methyl-6-oxidanylidene-pyridine-3-carboxylate × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M MES, pH6.5, 0.1 M MgCl2, 20% PEG6K, 10% EG
|
Resolution 1.25 Å R-free 0.176 |
| 5SVH Crystal structure of the KIX domain of CBP in complex with a MLL/c-Myb chimera Deposited 2016-08-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
587–673（87 aa）
Fragment：UNP residues 587-673
|
Not recorded | GOL GLYCEROL × 2 CL CHLORIDE ION × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；0.1 M potassium sulfate
2.3M Ammonium sulphate
|
Resolution 2.05 Å R-free 0.242 |
| 5SVH Crystal structure of the KIX domain of CBP in complex with a MLL/c-Myb chimera Deposited 2016-08-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Heteromer；Protein × 12 PDB declaration: dodecameric |
Chain A
587–673（87 aa）
Fragment：UNP residues 587-673
|
Not recorded | GOL GLYCEROL × 12 CL CHLORIDE ION × 42 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；0.1 M potassium sulfate
2.3M Ammonium sulphate
|
Resolution 2.05 Å R-free 0.242 |
| 5SVH Crystal structure of the KIX domain of CBP in complex with a MLL/c-Myb chimera Deposited 2016-08-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
587–673（87 aa）
Fragment：UNP residues 587-673
|
Not recorded | GOL GLYCEROL × 4 CL CHLORIDE ION × 14 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；295 K；0.1 M potassium sulfate
2.3M Ammonium sulphate
|
Resolution 2.05 Å R-free 0.242 |
| 5TB6 Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment Deposited 2016-09-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | 77X 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.15M KSCN
15% PEG 3350
5% EtGly
|
Resolution 1.79 Å R-free 0.243 |
| 5W0E CREBBP bromodomain in complex with Cpd19 (3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide) Deposited 2017-05-30 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：Bromodomain, UNP residues 1082-1197
|
Not recorded | 9U4 3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；0.2M MgCl2, 0.1M Bis-Tris pH6.5, 22% PEG3350
|
Resolution 1.41 Å R-free 0.260 |
| 5W0F CREBBP Bromodomain in complex with Cpd3 ((S)-1-(3-(6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydrofuran-3-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) Deposited 2017-05-30 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：Bromodomain, UNP residues 1082-1197
|
Not recorded | 9U7 1-{3-[6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-[(3S)-oxolan-3-yl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；0.2 M Li2SO4, 0.1M Bis-Tris pH 6.5, 19% PEG3350
|
Resolution 1.60 Å R-free 0.206 |
| 5W0L CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) Deposited 2017-05-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：Bromodomain, UNP residues 1082-1197
|
Not recorded | 9UD 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；100 mM Bis-Tris pH 5.5, 200-300 mM KSCN, 21-25% PEG 3350
|
Resolution 1.55 Å R-free 0.229 |
| 5W0L CREBBP Bromodomain in complex with Cpd10 (1-(3-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) Deposited 2017-05-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
Fragment：Bromodomain, UNP residues 1082-1197
|
Not recorded | 9UD 1-{3-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-1-(oxan-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl}ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；100 mM Bis-Tris pH 5.5, 200-300 mM KSCN, 21-25% PEG 3350
|
Resolution 1.55 Å R-free 0.229 |
| 5W0Q CREBBP Bromodomain in complex with Cpd17 (N,2,7-trimethyl-2,3-dihydro-4H-benzo[b][1,4]oxazine-4-carboxamide) Deposited 2017-05-31 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：Bromodomain, UNP residues 1082-1197
|
Not recorded | SO4 SULFATE ION × 3 9UG (2R)-N,2,7-trimethyl-2,3-dihydro-4H-1,4-benzoxazine-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；0.1M Bis-Tris pH 6.5, 0.2M Li2SO4, 25% PEG3350
|
Resolution 1.70 Å R-free 0.213 |
| 5XXH Crystal Structure Analysis of the CBP Deposited 2017-07-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | E0D (3S)-1-[2-(3-ethanoylindol-1-yl)ethanoyl]piperidine-3-carboxylic acid × 1 EDO 1,2-ETHANEDIOL × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；277 K；30% PEG 3350, 0.2M MgCl2, 0.1M Tris HCl, PH 8.5
|
Resolution 1.62 Å R-free 0.208 |
| 6ALC CREBBP bromodomain in complex with Cpd 4 (1-(1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) Deposited 2017-08-07 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1085–1196（112 aa）
Fragment：Bromodomain (UNP residues 1085-1196)
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；0.2 M Li2SO4, 0.1M Bis-Tris pH 6.5, 19% PEG3350
|
Resolution 1.39 Å R-free 0.212 |
| 6ALC CREBBP bromodomain in complex with Cpd 4 (1-(1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)ethan-1-one) Deposited 2017-08-07 | Different construct Different ligand/ion Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1085–1196（112 aa）
Fragment：Bromodomain (UNP residues 1085-1196)
|
Not recorded | BKD 1-[1-(cyclopropylmethyl)-3-(1H-indol-4-yl)-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl]ethan-1-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；0.2 M Li2SO4, 0.1M Bis-Tris pH 6.5, 19% PEG3350
|
Resolution 1.39 Å R-free 0.212 |
| 6AXQ CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate) Deposited 2017-09-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1085–1196（112 aa）
Fragment：bromodomain (UNP residues 1085-1196)
|
Not recorded | DMS DIMETHYL SULFOXIDE × 2 C2Y methyl 1H-indole-3-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.2；289 K；3.545 M Formate, 100 mM Tris-HCl pH 8.2, 10% glycerol
|
Resolution 1.30 Å R-free 0.216 |
| 6AXQ CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate) Deposited 2017-09-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1085–1196（112 aa）
Fragment：bromodomain (UNP residues 1085-1196)
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 C2Y methyl 1H-indole-3-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.2；289 K；3.545 M Formate, 100 mM Tris-HCl pH 8.2, 10% glycerol
|
Resolution 1.30 Å R-free 0.216 |
| 6AXQ CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate) Deposited 2017-09-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1085–1196（112 aa）
Fragment：bromodomain (UNP residues 1085-1196)
|
Not recorded | DMS DIMETHYL SULFOXIDE × 2 C2Y methyl 1H-indole-3-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.2；289 K；3.545 M Formate, 100 mM Tris-HCl pH 8.2, 10% glycerol
|
Resolution 1.30 Å R-free 0.216 |
| 6AXQ CREBBP bromodomain in complex with Cpd6 (methyl 1H-indole-3-carboxylate) Deposited 2017-09-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1085–1196（112 aa）
Fragment：bromodomain (UNP residues 1085-1196)
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 C2Y methyl 1H-indole-3-carboxylate × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 8.2；289 K；3.545 M Formate, 100 mM Tris-HCl pH 8.2, 10% glycerol
|
Resolution 1.30 Å R-free 0.216 |
| 6AY3 CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide) Deposited 2017-09-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1083–1197（115 aa）
Fragment：Bromodomain (UNP residue 1083-1197)
|
Not recorded | C3J 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；0.2M MgCl2, 0.1M Bis-Tris pH6.5, 22% PEG3350
|
Resolution 1.39 Å R-free 0.237 |
| 6AY3 CREBBP bromodomain in complex with Cpd16 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-N-methyl-1H-indole-3-carboxamide) Deposited 2017-09-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1083–1197（115 aa）
Fragment：Bromodomain (UNP residue 1083-1197)
|
Not recorded | C3J 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1H-indole-3-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；0.2M MgCl2, 0.1M Bis-Tris pH6.5, 22% PEG3350
|
Resolution 1.39 Å R-free 0.237 |
| 6AY5 CREBBP bromodomain in complex with Cpd17 (5-(7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl)-3-methylbenzo[d]thiazol-2(3H)-one) Deposited 2017-09-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1083–1197（115 aa）
Fragment：Bromodomain (UNP residue 1083-1197)
|
Not recorded | C3V 5-[7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-3-methyl-1,3-benzothiazol-2(3H)-one × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；277 K；0.2M MgCl2, 0.1M Bis-Tris pH6.5, 22% PEG3350
|
Resolution 1.44 Å R-free 0.184 |
| 6DMK A multiconformer ligand model of an isoxazolyl-benzimidazole ligand bound to the bromodomain of human CREBBP Deposited 2018-06-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1045–1157（113 aa）
|
Not recorded | NO3 NITRATE ION × 1 2LL 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；0.20M NaNO3, 20.0% PEG 3350, 10.0% EtGly, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K
|
Resolution 1.66 Å R-free 0.234 |
| 6ES7 Structure and dynamics conspire in the evolution of affinity between intrinsically disordered proteins Deposited 2017-10-19 | 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
2061–2109（49 aa）
|
Not recorded | No recorded non-water small molecule |
SOLUTION NMR
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) na；Pressure 1
NMR sample composition
100 % 13C/15N CID, 100 % 13C/15N NCBD, 90% H2O/10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 6FQO Crystal structure of CREBBP bromodomain complexd with DT29 Deposited 2018-02-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | E2T ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.15 M KSCN, 20% PEG3350, 10% EG
|
Resolution 1.35 Å R-free 0.194 |
| 6FQO Crystal structure of CREBBP bromodomain complexd with DT29 Deposited 2018-02-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | E2T ~{N}-[3-(2,5-dimethyl-3-oxidanylidene-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.15 M KSCN, 20% PEG3350, 10% EG
|
Resolution 1.35 Å R-free 0.194 |
| 6FQT Crystal structure of CREBBP bromodomain complexd with DR46 Deposited 2018-02-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | AY2 ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Hepes, pH7.5, 0.2 M LiSO4, 25% PEG3350
|
Resolution 1.80 Å R-free 0.255 |
| 6FQU Crystal structure of CREBBP bromodomain complexd with DR09 Deposited 2018-02-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | E3B 1-[3-[3-[3,3-bis(fluoranyl)piperidin-1-yl]phenyl]-4-ethoxy-phenyl]ethanone × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.15 M KSCN, 20% PEG3350, 10% EG
|
Resolution 1.43 Å R-free 0.190 |
| 6FR0 Crystal structure of CREBBP bromodomain complexd with PB08 Deposited 2018-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | E3H ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Hepes, pH7.5, 0.2 M LiSO4, 25% PEG3350
|
Resolution 1.50 Å R-free 0.202 |
| 6FR0 Crystal structure of CREBBP bromodomain complexd with PB08 Deposited 2018-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | E3H ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(2-ethyl-5-methyl-3-oxidanylidene-1,2-oxazol-4-yl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Hepes, pH7.5, 0.2 M LiSO4, 25% PEG3350
|
Resolution 1.50 Å R-free 0.202 |
| 6FRF Crystal structure of CREBBP bromodomain complexd with PA10 Deposited 2018-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | E3T ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Sodium Citrate, pH 5.6, 1.3 M Ammonium Sulfate
|
Resolution 2.10 Å R-free 0.228 |
| 6FRF Crystal structure of CREBBP bromodomain complexd with PA10 Deposited 2018-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | E3T ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Sodium Citrate, pH 5.6, 1.3 M Ammonium Sulfate
|
Resolution 2.10 Å R-free 0.228 |
| 6FRF Crystal structure of CREBBP bromodomain complexd with PA10 Deposited 2018-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1081–1197（117 aa）
|
Not recorded | E3T ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Sodium Citrate, pH 5.6, 1.3 M Ammonium Sulfate
|
Resolution 2.10 Å R-free 0.228 |
| 6FRF Crystal structure of CREBBP bromodomain complexd with PA10 Deposited 2018-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1081–1197（117 aa）
|
Not recorded | E3T ~{N}-[3-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Sodium Citrate, pH 5.6, 1.3 M Ammonium Sulfate
|
Resolution 2.10 Å R-free 0.228 |
| 6QST Structure of CREBBP bromodomain with compound 2 bound Deposited 2019-02-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | JGK ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Bis-Tris propane pH 7.5, 0.02 M Sodium/potassium phosphate, 20% w/v PEG 3350
|
Resolution 2.10 Å R-free 0.219 |
| 6QST Structure of CREBBP bromodomain with compound 2 bound Deposited 2019-02-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | JGK ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Bis-Tris propane pH 7.5, 0.02 M Sodium/potassium phosphate, 20% w/v PEG 3350
|
Resolution 2.10 Å R-free 0.219 |
| 6QST Structure of CREBBP bromodomain with compound 2 bound Deposited 2019-02-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1081–1197（117 aa）
|
Not recorded | JGK ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Bis-Tris propane pH 7.5, 0.02 M Sodium/potassium phosphate, 20% w/v PEG 3350
|
Resolution 2.10 Å R-free 0.219 |
| 6QST Structure of CREBBP bromodomain with compound 2 bound Deposited 2019-02-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1081–1197（117 aa）
|
Not recorded | JGK ~{N}-[3-(3-azanyl-5-methyl-1,2-oxazol-4-yl)-5-(5-ethanoyl-2-ethoxy-phenyl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；0.1 M Bis-Tris propane pH 7.5, 0.02 M Sodium/potassium phosphate, 20% w/v PEG 3350
|
Resolution 2.10 Å R-free 0.219 |
| 6SQC Crystal structure of complex between nuclear coactivator binding domain of CBP and [1040-1086]ACTR containing alpha-methylated Leu1055 and Leu1076 Deposited 2019-09-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
2061–2112（52 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 ZN ZINC ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；20% PEG6000, 100 mM Tris pH 8 and 10 mM ZnCl2
|
Resolution 2.28 Å R-free 0.274 |
| 6SQE Crystal structure of CREBBP bromodomain complexed with KD341 Deposited 2019-09-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | LSZ ~{N}-[3-[(5-ethanoyl-2-ethoxy-phenyl)carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]-5-[(4-methylpiperazin-1-yl)methyl]furan-2-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；0.2M MgCl2, 25% PEG 3350, 0.1M BisTris pH 5.5
|
Resolution 1.51 Å R-free 0.191 |
| 6SQF Crystal structure of CREBBP bromodomain complexed with LB32A Deposited 2019-09-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | LTW ~{N}-[3-[[5-ethanoyl-2-[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)ethoxy]phenyl]carbamoyl]-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；0.1M MES pH 6.5, 12% PEG 20000
|
Resolution 2.01 Å R-free 0.215 |
| 6SQM Crystal structure of CREBBP bromodomain complexed with LA36 Deposited 2019-09-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | LU5 ~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；8% Ethylene glycol, 0.1M HEPES pH 7.5, 10% PEG 8000
|
Resolution 1.80 Å R-free 0.269 |
| 6SQM Crystal structure of CREBBP bromodomain complexed with LA36 Deposited 2019-09-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | LU5 ~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；8% Ethylene glycol, 0.1M HEPES pH 7.5, 10% PEG 8000
|
Resolution 1.80 Å R-free 0.269 |
| 6SQM Crystal structure of CREBBP bromodomain complexed with LA36 Deposited 2019-09-04 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1081–1197（117 aa）
|
Not recorded | LU5 ~{N}-[3-acetamido-5-[(3-methylcinnolin-5-yl)carbamoyl]phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；8% Ethylene glycol, 0.1M HEPES pH 7.5, 10% PEG 8000
|
Resolution 1.80 Å R-free 0.269 |
| 6SXX Crystal structure of the bromodomain of human CREBBP in complex with ACA007 Deposited 2019-09-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 LXQ (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25% PEG3350, 0.2 M Potassium thiocyanate, 5% EtGly
|
Resolution 2.01 Å R-free 0.253 |
| 6SXX Crystal structure of the bromodomain of human CREBBP in complex with ACA007 Deposited 2019-09-26 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 LXQ (3~{R})-1-ethanoylpyrrolidine-3-carboxylic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；25% PEG3350, 0.2 M Potassium thiocyanate, 5% EtGly
|
Resolution 2.01 Å R-free 0.253 |
| 6YIJ Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | OSN (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；277 K；20% ethylene glycol
21% PEG6K
0.1M tris pH 8.3
0.125M lithium chloride
|
Resolution 2.20 Å R-free 0.269 |
| 6YIJ Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | OSN (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；277 K；20% ethylene glycol
21% PEG6K
0.1M tris pH 8.3
0.125M lithium chloride
|
Resolution 2.20 Å R-free 0.269 |
| 6YIJ Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1081–1197（117 aa）
|
Not recorded | OSN (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；277 K；20% ethylene glycol
21% PEG6K
0.1M tris pH 8.3
0.125M lithium chloride
|
Resolution 2.20 Å R-free 0.269 |
| 6YIJ Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1081–1197（117 aa）
|
Not recorded | OSN (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；277 K；20% ethylene glycol
21% PEG6K
0.1M tris pH 8.3
0.125M lithium chloride
|
Resolution 2.20 Å R-free 0.269 |
| 6YIJ Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1081–1197（117 aa）
|
Not recorded | OSN (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；277 K；20% ethylene glycol
21% PEG6K
0.1M tris pH 8.3
0.125M lithium chloride
|
Resolution 2.20 Å R-free 0.269 |
| 6YIJ Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
1081–1197（117 aa）
|
Not recorded | OSN (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；277 K；20% ethylene glycol
21% PEG6K
0.1M tris pH 8.3
0.125M lithium chloride
|
Resolution 2.20 Å R-free 0.269 |
| 6YIJ Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
1081–1197（117 aa）
|
Not recorded | OSN (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.3；277 K；20% ethylene glycol
21% PEG6K
0.1M tris pH 8.3
0.125M lithium chloride
|
Resolution 2.20 Å R-free 0.269 |
| 6YIK Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | OSQ (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；21% PEG3350
15% ethylene glycol
0.25M sodium formate
|
Resolution 1.70 Å R-free 0.184 |
| 6YIK Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | OSQ (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；21% PEG3350
15% ethylene glycol
0.25M sodium formate
|
Resolution 1.70 Å R-free 0.184 |
| 6YIK Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1081–1197（117 aa）
|
Not recorded | OSQ (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；21% PEG3350
15% ethylene glycol
0.25M sodium formate
|
Resolution 1.70 Å R-free 0.184 |
| 6YIL Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | OSQ (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG3350
10% ethylene glycol
0.2M sodium acetate
|
Resolution 1.22 Å R-free 0.151 |
| 6YIM Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand Deposited 2020-04-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | OS8 (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277 K；20% PEG3350
10% ethylene glycol
0.2M sodium fluoride
|
Resolution 1.23 Å R-free 0.167 |
| 7CO1 Crystal structure of SMAD2 in complex with wild-type CBP Deposited 2020-08-03 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain B
1951–1973（23 aa）
Chain D
1951–1973（23 aa）
Chain F
1951–1973（23 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.2；293 K；1 M sodium phosphate monobasic monohydrate-potassium phosphate dibasic
|
Resolution 3.30 Å R-free 0.283 |
| 7EVJ Crystal structure of CBP bromodomain liganded with 9c Deposited 2021-05-21 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | JE9 3-acetyl-1-((3-(1-cyclopropyl-1H-pyrazol-4-yl)-2-fluoro-5-(hydroxymethyl)phenyl)carbamoyl)indolizin-7-yl dimethylcarbamate × 1 PO4 PHOSPHATE ION × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.6；277 K；0.2 M NH4H2PO4, 20% PEG 3350, pH 4.6, and 20% Gly
|
Resolution 2.57 Å R-free 0.209 |
| 7JFL Crystal structure of human phosphorylated IRF-3 bound to CBP Deposited 2020-07-17 | 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 C
2065–2111（47 aa）
Chain D
2065–2111（47 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；277 K；0.1 M sodium acetate pH 5.0, 0.2 M MgCl2, 5% PEG 3350
|
Resolution 1.68 Å R-free 0.223 |
| 7JFM Crystal structure of mouse phosphorylated IRF-3 bound to CBP Deposited 2020-07-17 | 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 C
2065–2111（47 aa）
Chain D
2065–2111（47 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；0.2 M ammonium citrate tribasic at pH 7.0, 12% PEG 3350
|
Resolution 2.23 Å R-free 0.252 |
| 7JUO CBP bromodomain complexed with YF2-23 Deposited 2020-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
|
Not recorded | YF2 N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；0.2 M lithium citrate tribasic tetrahydrate, 17-19% PEG 3350, pH 8.4
|
Resolution 2.20 Å R-free 0.276 |
| 7JUO CBP bromodomain complexed with YF2-23 Deposited 2020-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1082–1197（116 aa）
|
Not recorded | YF2 N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；0.2 M lithium citrate tribasic tetrahydrate, 17-19% PEG 3350, pH 8.4
|
Resolution 2.20 Å R-free 0.276 |
| 7JUO CBP bromodomain complexed with YF2-23 Deposited 2020-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1082–1197（116 aa）
|
Not recorded | YF2 N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；0.2 M lithium citrate tribasic tetrahydrate, 17-19% PEG 3350, pH 8.4
|
Resolution 2.20 Å R-free 0.276 |
| 7JUO CBP bromodomain complexed with YF2-23 Deposited 2020-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
|
Not recorded | YF2 N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；0.2 M lithium citrate tribasic tetrahydrate, 17-19% PEG 3350, pH 8.4
|
Resolution 2.20 Å R-free 0.276 |
| 7JUO CBP bromodomain complexed with YF2-23 Deposited 2020-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
1082–1197（116 aa）
|
Not recorded | YF2 N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；0.2 M lithium citrate tribasic tetrahydrate, 17-19% PEG 3350, pH 8.4
|
Resolution 2.20 Å R-free 0.276 |
| 7JUO CBP bromodomain complexed with YF2-23 Deposited 2020-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
1082–1197（116 aa）
|
Not recorded | YF2 N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；0.2 M lithium citrate tribasic tetrahydrate, 17-19% PEG 3350, pH 8.4
|
Resolution 2.20 Å R-free 0.276 |
| 7JUO CBP bromodomain complexed with YF2-23 Deposited 2020-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain H
1082–1197（116 aa）
|
Not recorded | YF2 N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；0.2 M lithium citrate tribasic tetrahydrate, 17-19% PEG 3350, pH 8.4
|
Resolution 2.20 Å R-free 0.276 |
| 7JUO CBP bromodomain complexed with YF2-23 Deposited 2020-08-20 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1082–1197（116 aa）
|
Not recorded | YF2 N-{1-[1,1-di(pyridin-2-yl)ethyl]-6-(1-methyl-7-oxo-6,7-dihydro-1H-pyrrolo[2,3-c]pyridin-3-yl)-1H-indol-4-yl}ethanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.4；277 K；0.2 M lithium citrate tribasic tetrahydrate, 17-19% PEG 3350, pH 8.4
|
Resolution 2.20 Å R-free 0.276 |
| 7RLE Crystal structure of PPAR gamma in complex with CREB-binding protein and agonist GW1929 Deposited 2021-07-23 | 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 B
57–80（24 aa）
Fragment：Residues 57-80
Chain D
57–80（24 aa）
Fragment：Residues 57-80
|
Not recorded | EDK (2~{S})-3-[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]-2-[[2-(phenylcarbonyl)phenyl]amino]propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293.15 K；1M sodium citrate tribasic dihydrate, 0.1M sodium cacodylate, pH 6.5
|
Resolution 2.50 Å R-free 0.275 |
| 7TB3 cryo-EM structure of MBP-KIX-apoferritin Deposited 2021-12-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Homooligomer；Protein × 24 PDB declaration: 24-meric |
Chain A
549–630（82 aa）
Chain B
549–630（82 aa）
Chain C
549–630（82 aa）
Chain D
549–630（82 aa）
Chain E
549–630（82 aa）
Chain F
549–630（82 aa）
Chain G
549–630（82 aa）
Chain H
549–630（82 aa）
Chain I
549–630（82 aa）
Chain J
549–630（82 aa）
Chain K
549–630（82 aa）
Chain L
549–630（82 aa）
Chain M
549–630（82 aa）
Chain N
549–630（82 aa）
Chain O
549–630（82 aa）
Chain P
549–630（82 aa）
Chain Q
549–630（82 aa）
Chain R
549–630（82 aa）
Chain S
549–630（82 aa）
Chain T
549–630（82 aa）
Chain U
549–630（82 aa）
Chain V
549–630（82 aa）
Chain W
549–630（82 aa）
Chain X
549–630（82 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.57 Å |
| 7TBH cryo-EM structure of MBP-KIX-apoferritin complex with peptide 7 Deposited 2021-12-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 48 PDB declaration: 48-meric |
Chain A
549–630（82 aa）
Chain B
549–630（82 aa）
Chain C
549–630（82 aa）
Chain D
549–630（82 aa）
Chain E
549–630（82 aa）
Chain F
549–630（82 aa）
Chain G
549–630（82 aa）
Chain H
549–630（82 aa）
Chain I
549–630（82 aa）
Chain J
549–630（82 aa）
Chain K
549–630（82 aa）
Chain L
549–630（82 aa）
Chain M
549–630（82 aa）
Chain N
549–630（82 aa）
Chain O
549–630（82 aa）
Chain P
549–630（82 aa）
Chain Q
549–630（82 aa）
Chain R
549–630（82 aa）
Chain S
549–630（82 aa）
Chain T
549–630（82 aa）
Chain U
549–630（82 aa）
Chain V
549–630（82 aa）
Chain W
549–630（82 aa）
Chain X
549–630（82 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 2.30 Å |
| 7WX2 CBP-BrD complexed with NEO2734 Deposited 2022-02-14 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：bromodomain
|
Not recorded | 7OW 1,3-dimethyl-5-[2-(oxan-4-yl)-3-[2-(trifluoromethyloxy)ethyl]benzimidazol-5-yl]pyridin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
EVAPORATION；pH 8.5；289 K；PEG3350, NaNO3, ethylene glycol
|
Resolution 1.24 Å R-free 0.200 |
| 7XH6 Crystal structure of CBP bromodomain liganded with CCS1477 Deposited 2022-04-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | GOL GLYCEROL × 1 DMS DIMETHYL SULFOXIDE × 1 JHL (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M HEPES pH 7.5, 2% v/v Tacsimate pH 7.0, 20% w/v Polyethylene glycol 3350
|
Resolution 1.75 Å R-free 0.227 |
| 7XH6 Crystal structure of CBP bromodomain liganded with CCS1477 Deposited 2022-04-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | JHL (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1M HEPES pH 7.5, 2% v/v Tacsimate pH 7.0, 20% w/v Polyethylene glycol 3350
|
Resolution 1.75 Å R-free 0.227 |
| 7XHE Crystal structure of CBP bromodomain liganded with CCS151 Deposited 2022-04-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | JHF (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2M Sodium malonate pH 7.0, 20% w/v Polyethylene glycol 3350
|
Resolution 1.59 Å R-free 0.231 |
| 7XHE Crystal structure of CBP bromodomain liganded with CCS151 Deposited 2022-04-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | JHF (6S)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]-1-(3-fluoranyl-4-methoxy-phenyl)piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2M Sodium malonate pH 7.0, 20% w/v Polyethylene glycol 3350
|
Resolution 1.59 Å R-free 0.231 |
| 7XI0 Crystal structure of CBP bromodomain liganded with CCS150 Deposited 2022-04-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | EL0 (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2M NaAc, 20% w/v Polyethylene glycol, 3350 PH 7.3
|
Resolution 1.62 Å R-free 0.224 |
| 7XI0 Crystal structure of CBP bromodomain liganded with CCS150 Deposited 2022-04-11 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | EL0 (6S)-1-(3-chloranyl-4-methoxy-phenyl)-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-1-methylsulfonylpyrrolidin-3-yl]benzimidazol-2-yl]piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2M NaAc, 20% w/v Polyethylene glycol, 3350 PH 7.3
|
Resolution 1.62 Å R-free 0.224 |
| 7XIJ Crystal structure of CBP bromodomain liganded with Y08175 Deposited 2022-04-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1043–1159（117 aa）
|
Not recorded | EJ3 3-[(1-ethanoyl-5-methoxy-indol-3-yl)carbonylamino]-4-fluoranyl-5-(1-methylpyrazol-4-yl)benzoic acid × 1 DMS DIMETHYL SULFOXIDE × 1 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2M MgCl2 0.1M TrsHCl 30% PEG4000 PH7.5
|
Resolution 1.82 Å R-free 0.221 |
| 7XM7 Crystal Structure of the CBP in complex with the Y08188 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
1081–1197（117 aa）
|
Not recorded | GAY 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG3350 0.2M NH4NO3 PH6.2
|
Resolution 2.36 Å R-free 0.257 |
| 7XM7 Crystal Structure of the CBP in complex with the Y08188 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
1081–1197（117 aa）
|
Not recorded | GAY 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide × 1 NO3 NITRATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG3350 0.2M NH4NO3 PH6.2
|
Resolution 2.36 Å R-free 0.257 |
| 7XM7 Crystal Structure of the CBP in complex with the Y08188 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
1081–1197（117 aa）
|
Not recorded | NO3 NITRATE ION × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG3350 0.2M NH4NO3 PH6.2
|
Resolution 2.36 Å R-free 0.257 |
| 7XM7 Crystal Structure of the CBP in complex with the Y08188 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
1081–1197（117 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG3350 0.2M NH4NO3 PH6.2
|
Resolution 2.36 Å R-free 0.257 |
| 7XNE Crystal structure of CBP bromodomain liganded with Y08284 Deposited 2022-04-28 | 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
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
Chain B
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | GHF N-[3-(1-cyclopropylpyrazol-4-yl)-2-fluoranyl-5-[(1S)-1-oxidanylethyl]phenyl]-3-ethanoyl-7-methoxy-indolizine-1-carboxamide × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M Magnesium acetate tetrahydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 20% w/v Polyethylene glycol 8,000
|
Resolution 2.17 Å R-free 0.259 |
| 7XNG Crystal structure of CBP bromodomain liganded with Y08092(31g) Deposited 2022-04-28 | 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
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
Chain B
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | GI5 3-[(1-ethanoylindol-3-yl)carbonylamino]-5-[[(2S)-oxan-2-yl]oxymethyl]benzoic acid × 2 GOL GLYCEROL × 1 PEG DI(HYDROXYETHYL)ETHER × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20% PEG3350 0.2M KSCN 0.1M HEPES PH8.5
|
Resolution 2.35 Å R-free 0.242 |
| 8FUP Bromodomain of CBP liganded with BMS-536924 and CCS-1477 Deposited 2023-01-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | N6I (3M)-4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-benzimidazol-2-yl]pyridin-2(1H)-one × 1 JHL (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M Ammonium sulfate, 30% w/v Polyethylene glycol 8000
|
Resolution 1.70 Å R-free 0.212 |
| 8FUP Bromodomain of CBP liganded with BMS-536924 and CCS-1477 Deposited 2023-01-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | JHL (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；292 K；0.2 M Ammonium sulfate, 30% w/v Polyethylene glycol 8000
|
Resolution 1.70 Å R-free 0.212 |
| 8FV2 Bromodomain of CBP liganded with CCS-1477 Deposited 2023-01-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | PO4 PHOSPHATE ION × 3 JHL (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.2；293 K；0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic
|
Resolution 1.87 Å R-free 0.226 |
| 8FV2 Bromodomain of CBP liganded with CCS-1477 Deposited 2023-01-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | PO4 PHOSPHATE ION × 2 JHL (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.2；293 K；0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic
|
Resolution 1.87 Å R-free 0.226 |
| 8FV2 Bromodomain of CBP liganded with CCS-1477 Deposited 2023-01-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | JHL (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.2；293 K；0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic
|
Resolution 1.87 Å R-free 0.226 |
| 8FV2 Bromodomain of CBP liganded with CCS-1477 Deposited 2023-01-18 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | JHL (6S)-1-[3,4-bis(fluoranyl)phenyl]-6-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]piperidin-2-one × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.2；293 K；0.056M Sodium phosphate monobasic monohydrate, 1.344M Potassium phosphate dibasic
|
Resolution 1.87 Å R-free 0.226 |
| 8FXA Bromodomain of CBP liganded with iCBP4 Deposited 2023-01-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | EDO 1,2-ETHANEDIOL × 3 YJY (6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350
|
Resolution 1.65 Å R-free 0.180 |
| 8FXA Bromodomain of CBP liganded with iCBP4 Deposited 2023-01-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 YJY (6S)-1-[3,5-bis(trifluoromethyl)phenyl]-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；0.2 M Magnesium chloride hexahydrate, 0.1 M BIS-TRIS pH 5.5, 25% w/v Polyethylene glycol 3350
|
Resolution 1.65 Å R-free 0.180 |
| 8FXE Bromodomain of CBP liganded with iCBP6 Deposited 2023-01-24 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP residues 1081-1197
|
Not recorded | YID (6S)-1-(3-tert-butylphenyl)-6-{(5P)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.2 M Sodium chloride, 0.1 M Tris pH 8.5, 25% w/v Polyethylene glycol 3350
|
Resolution 1.55 Å R-free 0.186 |
| 8FXN Bromodomain of CBP liganded with iCBP7 Deposited 2023-01-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | YN0 tert-butyl {(1R,4s)-4-[(5M)-2-[(2S)-1-(3-tert-butylphenyl)-6-oxopiperidin-2-yl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-benzimidazol-1-yl]cyclohexyl}carbamate × 1 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；292 K；0.03M Sodium nitrate, 0.03 Sodium phosphate dibasic, 0.03M Ammonium sulfate, 0.1 M Imidazole, 0.1 M MES pH 6.5, 20% v/v PEG 500 MME; 10% w/v PEG 20000
|
Resolution 2.00 Å R-free 0.242 |
| 8FXO Bromodomain of CBP liganded with iCBP8 Deposited 2023-01-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：bromodomain
|
Not recorded | YN5 (6S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.2 M Sodium acetate trihydrate, 0.1 M TRIS hydrochloride pH 8.5, 30% w/v Polyethylene glycol 4000
|
Resolution 1.74 Å R-free 0.205 |
| 8G6T Bromodomain of CBP liganded with inhibitor iCBP2 Deposited 2023-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
|
Not recorded | YRI (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.01 M Nickel(II) chloride hexahydrate, 0.1 M Tris pH 8.5, 20% w/v Polyethylene glycol monomethyl ether 2,000
|
Resolution 1.75 Å R-free 0.222 |
| 8G6T Bromodomain of CBP liganded with inhibitor iCBP2 Deposited 2023-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
|
Not recorded | YRI (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.01 M Nickel(II) chloride hexahydrate, 0.1 M Tris pH 8.5, 20% w/v Polyethylene glycol monomethyl ether 2,000
|
Resolution 1.75 Å R-free 0.222 |
| 8G6T Bromodomain of CBP liganded with inhibitor iCBP2 Deposited 2023-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1082–1197（116 aa）
|
Not recorded | YRI (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one × 1 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.01 M Nickel(II) chloride hexahydrate, 0.1 M Tris pH 8.5, 20% w/v Polyethylene glycol monomethyl ether 2,000
|
Resolution 1.75 Å R-free 0.222 |
| 8G6T Bromodomain of CBP liganded with inhibitor iCBP2 Deposited 2023-02-15 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1082–1197（116 aa）
|
Not recorded | YRI (6S)-1-(3,4-dibromophenyl)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}piperidin-2-one × 1 NI NICKEL (II) ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；292 K；0.01 M Nickel(II) chloride hexahydrate, 0.1 M Tris pH 8.5, 20% w/v Polyethylene glycol monomethyl ether 2,000
|
Resolution 1.75 Å R-free 0.222 |
| 8GA2 Bromodomain of CBP liganded with inhibitor iCBP5 Deposited 2023-02-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1082–1197（116 aa）
Fragment：Bromodomain, residues 1082-1197
|
Not recorded | EDO 1,2-ETHANEDIOL × 1 YVK (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.2 M Magnesium chloride hexahydrate; 0.1 M TRIS hydrochloride pH 8.5; 30% w/v Polyethylene glycol 4,000
|
Resolution 1.85 Å R-free 0.225 |
| 8GA2 Bromodomain of CBP liganded with inhibitor iCBP5 Deposited 2023-02-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1082–1197（116 aa）
Fragment：Bromodomain, residues 1082-1197
|
Not recorded | YVK (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.2 M Magnesium chloride hexahydrate; 0.1 M TRIS hydrochloride pH 8.5; 30% w/v Polyethylene glycol 4,000
|
Resolution 1.85 Å R-free 0.225 |
| 8GA2 Bromodomain of CBP liganded with inhibitor iCBP5 Deposited 2023-02-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1082–1197（116 aa）
Fragment：Bromodomain, residues 1082-1197
|
Not recorded | YVK (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.2 M Magnesium chloride hexahydrate; 0.1 M TRIS hydrochloride pH 8.5; 30% w/v Polyethylene glycol 4,000
|
Resolution 1.85 Å R-free 0.225 |
| 8GA2 Bromodomain of CBP liganded with inhibitor iCBP5 Deposited 2023-02-22 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1082–1197（116 aa）
Fragment：Bromodomain, residues 1082-1197
|
Not recorded | YVK (6S)-6-{(5M)-5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(1s,4R)-4-methoxycyclohexyl]-1H-benzimidazol-2-yl}-1-phenylpiperidin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；292 K；0.2 M Magnesium chloride hexahydrate; 0.1 M TRIS hydrochloride pH 8.5; 30% w/v Polyethylene glycol 4,000
|
Resolution 1.85 Å R-free 0.225 |
| 8HAL Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 1 Deposited 2022-10-26 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 9 PDB declaration: undecameric |
Chain K
1084–1873（790 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.2
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.40 Å |
| 8HAM Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 2 Deposited 2022-10-26 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 9 PDB declaration: undecameric |
Chain K
1084–1873（790 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.2
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.50 Å |
| 8HAN Cryo-EM structure of the CBP catalytic core bound to the H4K12acK16ac nucleosome, class 3 Deposited 2022-10-26 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein–DNA Heteromer；Protein × 9 PDB declaration: undecameric |
Chain K
1084–1873（790 aa）
|
Not recorded | No recorded non-water small molecule |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.2
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 4.20 Å |
| 9GEJ Crystal structure of CREBBP bromodomain in complex with (2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | A1IKJ 2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.3 M LiSO4, 0.1 M Tris pH 8, PEG 3350
|
Resolution 1.84 Å R-free 0.220 |
| 9GEJ Crystal structure of CREBBP bromodomain in complex with (2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | A1IKJ 2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.3 M LiSO4, 0.1 M Tris pH 8, PEG 3350
|
Resolution 1.84 Å R-free 0.220 |
| 9GEJ Crystal structure of CREBBP bromodomain in complex with (2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
1081–1197（117 aa）
|
Not recorded | SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.3 M LiSO4, 0.1 M Tris pH 8, PEG 3350
|
Resolution 1.84 Å R-free 0.220 |
| 9GEJ Crystal structure of CREBBP bromodomain in complex with (2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
1081–1197（117 aa）
|
Not recorded | A1IKJ 2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.3 M LiSO4, 0.1 M Tris pH 8, PEG 3350
|
Resolution 1.84 Å R-free 0.220 |
| 9GEJ Crystal structure of CREBBP bromodomain in complex with (2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain E
1081–1197（117 aa）
|
Not recorded | A1IKJ 2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.3 M LiSO4, 0.1 M Tris pH 8, PEG 3350
|
Resolution 1.84 Å R-free 0.220 |
| 9GEJ Crystal structure of CREBBP bromodomain in complex with (2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain F
1081–1197（117 aa）
|
Not recorded | A1IKJ 2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.3 M LiSO4, 0.1 M Tris pH 8, PEG 3350
|
Resolution 1.84 Å R-free 0.220 |
| 9GEJ Crystal structure of CREBBP bromodomain in complex with (2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain G
1081–1197（117 aa）
|
Not recorded | A1IKJ 2R,13S,E)-2-methyl-1,2,3,5,10,11,13,14,20,21,24,25-dodecahydro-19H,23H-16,18-etheno-9,13-methano-7,28-(metheno)[1,4]diazepino[2,3-k]pyrido[1,2-s][1,4]dioxa[7,19]diazacyclodocosine-4,8-dione × 2 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.3 M LiSO4, 0.1 M Tris pH 8, PEG 3350
|
Resolution 1.84 Å R-free 0.220 |
| 9GET Crystal structure of CREBBP bromodomain in complex with (R,E)-6-(5-(7-methoxy-3,4-dihydroquinolin-1(2H)-yl)pent-1-en-1-yl)-4-methyl-8-(morpholine-4-carbonyl)-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | A1IKM (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-8-morpholin-4-ylcarbonyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M HEPES pH 7.5, 25% PEG 3,350
|
Resolution 1.29 Å R-free 0.167 |
| 9GEU Crystal structure of CREBBP bromodomain in complex with (R,E)-2-methyl-1,2,3,5,10,11,17,18,21,22-decahydro-4H,16H,20H-13,15-etheno-7,25-(metheno)[1,4]diazepino[2,3-h]pyrido[1,2-p][1]oxa[4,16]diazacyclononadecine-4,8(9H)-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | BU3 (R,R)-2,3-BUTANEDIOL × 2 A1IKL (R,E)-2-methyl-1,2,3,5,10,11,17,18,21,22-decahydro-4H,16H,20H-13,15-etheno-7,25-(metheno)[1,4]diazepino[2,3-h]pyrido[1,2-p][1]oxa[4,16]diazacyclononadecine-4,8(9H)-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3.5；277 K；0.1M citric acid, PEG 3350
|
Resolution 1.56 Å R-free 0.197 |
| 9GEU Crystal structure of CREBBP bromodomain in complex with (R,E)-2-methyl-1,2,3,5,10,11,17,18,21,22-decahydro-4H,16H,20H-13,15-etheno-7,25-(metheno)[1,4]diazepino[2,3-h]pyrido[1,2-p][1]oxa[4,16]diazacyclononadecine-4,8(9H)-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | BU3 (R,R)-2,3-BUTANEDIOL × 1 A1IKL (R,E)-2-methyl-1,2,3,5,10,11,17,18,21,22-decahydro-4H,16H,20H-13,15-etheno-7,25-(metheno)[1,4]diazepino[2,3-h]pyrido[1,2-p][1]oxa[4,16]diazacyclononadecine-4,8(9H)-dione × 1 CIT CITRIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 3.5；277 K；0.1M citric acid, PEG 3350
|
Resolution 1.56 Å R-free 0.197 |
| 9GEW Crystal structure of CREBBP bromodomain in complex with (R,E)-6-(5-(6-methoxy-2,3-dihydro-4H-benzo[b][1,4]oxazin-4-yl)pent-1-en-1-yl)-4-methyl-1,3,4,5-tetrahydro-2H-benzo[b][1,4]diazepin-2-one Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | A1IKI (4~{R})-6-[(~{E})-5-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one × 1 BU3 (R,R)-2,3-BUTANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；5% Tacsimate pH 7, 0.1 M Hepes pH 7, 10% PEG monomethyl ether 5000
|
Resolution 1.47 Å R-free 0.198 |
| 9GEY Crystal structure of CREBBP bromodomain in complex with (R,E)-2-methyl-1,2,3,5,9,10,11,12,18,19,22,23-dodecahydro-17H,21H-14,16-etheno-7,26-(metheno)[1,4]diazepino[2,3-l]pyrido[2,1-d][1]oxa[5,17]diazacycloicosine-4,8-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | A1IKK (R,E)-2-methyl-1,2,3,5,9,10,11,12,18,19,22,23-dodecahydro-17H,21H-14,16-etheno-7,26-(metheno)[1,4]diazepino[2,3-l]pyrido[2,1-d][1]oxa[5,17]diazacycloicosine-4,8-dione × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M Ammonium acetate, 0.1 M Tris pH 8.5, 25% PEG 3,350
|
Resolution 1.56 Å R-free 0.211 |
| 9GEY Crystal structure of CREBBP bromodomain in complex with (R,E)-2-methyl-1,2,3,5,9,10,11,12,18,19,22,23-dodecahydro-17H,21H-14,16-etheno-7,26-(metheno)[1,4]diazepino[2,3-l]pyrido[2,1-d][1]oxa[5,17]diazacycloicosine-4,8-dione Deposited 2024-08-07 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1081–1197（117 aa）
|
Not recorded | A1IKK (R,E)-2-methyl-1,2,3,5,9,10,11,12,18,19,22,23-dodecahydro-17H,21H-14,16-etheno-7,26-(metheno)[1,4]diazepino[2,3-l]pyrido[2,1-d][1]oxa[5,17]diazacycloicosine-4,8-dione × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M Ammonium acetate, 0.1 M Tris pH 8.5, 25% PEG 3,350
|
Resolution 1.56 Å R-free 0.211 |
| 9H02 Crystal structure of human CREBBP histone acetyltransferase domain in complex with a bisubstrate inhibitor, Lys-CoA Deposited 2024-10-07 | 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
1322–1555（234 aa）
Chain A
1618–1700（83 aa）
|
Mutation：Y1503F Mutation：Y1503F | 01K [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxy-3-(phosphonooxy)tetrahydrofuran-2-yl]methyl (3R,20R)-20-carbamoyl-3-hydroxy-2,2-dimethyl-4,8,14,22-tetraoxo-12-thia-5,9,15,21-tetraazatricos-1-yl dihydrogen diphosphate × 1 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；291 K；0.1M (NH4)2SO4, 0.1 Na3 cit 5.6pH, 30% w/v PEG 4000
|
Resolution 2.03 Å R-free 0.224 |
| 9H0K Crystal structure of human CREBBP histone acetyltransferase domain in complex with Propionyl- Coenzyme A Deposited 2024-10-08 | 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
1322–1555（234 aa）
Chain A
1618–1700（83 aa）
|
Mutation：Y1503F Mutation：Y1503F | 1VU propionyl Coenzyme A × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；292 K；0.1M Na3 cit , 2.4M (NH4)2SO4
|
Resolution 1.75 Å R-free 0.240 |
| 9H0K Crystal structure of human CREBBP histone acetyltransferase domain in complex with Propionyl- Coenzyme A Deposited 2024-10-08 | 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
1322–1555（234 aa）
Chain B
1618–1700（83 aa）
|
Mutation：Y1503F Mutation：Y1503F | 1VU propionyl Coenzyme A × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；292 K；0.1M Na3 cit , 2.4M (NH4)2SO4
|
Resolution 1.75 Å R-free 0.240 |
| 9IWL X-ray structure of human PPARalpha ligand binding domain-intrinsic fatty acid (E. coli origin)-CBP coactivator peptide co-crystals obtained by cross-seeding Deposited 2024-07-25 | 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 B
62–80（19 aa）
|
Not recorded | PLM PALMITIC ACID × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；277 K；0.1M Tris (pH 8.5), 30% PEG 4000, 0.2M Sodium acetate trihydrate
|
Resolution 2.09 Å R-free 0.236 |
| 9J6O Crystal Structure of bromodomain of human CBP in complex with the inhibitor CZL-046 Deposited 2024-08-16 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
Fragment：UNP RESIDUES 1081-1197
|
Not recorded | A1L3S (3~{S},5~{S})-1-[3,4-bis(fluoranyl)phenyl]-5-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(4-methoxycyclohexyl)benzimidazol-2-yl]-3-fluoranyl-pyrrolidin-2-one × 1 CL CHLORIDE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M Potassium sulfate, 20% w/v Polyethylene glycol 3,350
|
Resolution 2.67 Å R-free 0.290 |
| 9JUU X-ray crystal structure of Y16515 in CBP Deposited 2024-10-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | A1EDN (5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{R})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one × 1 EDO 1,2-ETHANEDIOL × 1 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277 K；0.2 M Sodium citrate tribasic dihydrate, 0.1 M Sodium cacodylate trihydrate pH 6.5, 30% v/v 2-Propanol
|
Resolution 1.48 Å R-free 0.219 |
| 9JUY X-ray crystal structure of Y16513 in CBP Deposited 2024-10-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1081–1197（117 aa）
|
Not recorded | A1EDO (5~{S})-1-(3-chloranyl-4-methoxy-phenyl)-5-[4-(3-methyl-1,2-benzoxazol-5-yl)-1-[(2~{S})-2-morpholin-4-ylpropyl]imidazol-2-yl]pyrrolidin-2-one × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.2 M Sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3,350
|
Resolution 1.42 Å R-free 0.227 |
135 other PDB entries and 224 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | CBP_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 2–233； UniProt 1081–1312 |
