B-cell lymphoma 6 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 homooligomer Homooligomer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count | Chain A； UniProt 5–129 | Not recorded | K4O ~{N}-[(2-fluorophenyl)methyl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine × 4 EDO 1,2-ETHANEDIOL × 18 DMS DIMETHYL SULFOXIDE × 2 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution. | Resolution 1.65 Å R-free 0.207 |
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 7ZWQ | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1R28 Crystal Structure of the B-Cell Lymphoma 6 (BCL6) BTB domain to 2.2 Angstrom Deposited 2003-09-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：BTB Domain (Residues 5-129)
Chain B
5–129（125 aa）
Fragment：BTB Domain (Residues 5-129)
|
Mutation：Glycine and serine at N-terminus (cloning artifact), C8Q/C67R/C84N (for solubility) Mutation：Glycine and serine at N-terminus (cloning artifact), C8Q/C67R/C84N (for solubility) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；298 K；PEG 8000, sodium acetate, HEPES, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.250 |
| 1R29 Crystal Structure of the B-Cell Lymphoma 6 (BCL6) BTB Domain to 1.3 Angstrom Deposited 2003-09-26 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：BTB Domain (Residues 5-129)
|
Mutation：Glycine and serine at N-terminus (cloning artifact), C8Q/C67R/C84N (for solubility) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.8；298 K；sodium formate, sodium acetate, pH 4.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 1.30 Å R-free 0.173 |
| 1R2B Crystal structure of the BCL6 BTB domain complexed with a SMRT co-repressor peptide Deposited 2003-09-26 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
Fragment：BCL6 (residues 5-129)
Chain B
5–129（125 aa）
Fragment：BCL6 (residues 5-129)
|
Mutation：C8Q, C67R, C84N Mutation：C8Q, C67R, C84N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；PEG 3350, sodium acetate, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.20 Å R-free 0.267 |
| 2EN2 Solution structure of the C2H2 type zinc finger (region 598-626) of human B-cell lymphoma 6 protein Deposited 2007-03-28 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
598–626（29 aa）
Fragment：zf-C2H2, UNP residues 598-626
|
Not recorded | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；296 K；Ionic strength (raw mmCIF value) 120mM；Pressure ambient
NMR sample composition
about 1.0mM sample U-15N,13C; 20mM d-Tris-HCl; 100mM NaCl; 0.05mM ZnCl2; 1mM IDA; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2EOS Solution structure of the C2H2 type zinc finger (region 626-654) of human B-cell lymphoma 6 protein Deposited 2007-03-29 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
626–654（29 aa）
Fragment：zf-C2H2 domain
|
Not recorded | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；296 K；Ionic strength (raw mmCIF value) 120mM；Pressure ambient
NMR sample composition
about 1.0mM sample U-15N, 13C; 20mM d-Tris-HCl; 100mM NaCl; 0.05mM ZnCl2; 1mM IDA; 1mM d-DTT; 0.02% NaN3; 90% H2O, 10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 2LCE Chemical shift assignment of Hr4436B from Homo Sapiens, Northeast Structural Genomics Consortium Deposited 2011-04-28 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
540–602（63 aa）
Fragment：C2H2-type Zinc fingers 2 and 3
|
Not recorded | ZN ZINC ION × 2 |
SOLUTION NMR
NMR measurement conditions
pH 6.5；298 K；Ionic strength (raw mmCIF value) 100；Pressure ambient
NMR sample composition
0.8 mM [U-100% 13C; U-100% 15N] Hr4436B, 2 % sodium azide, 10 mM DTT, 50 uM ZnSo4, 50 uM DSS, 100 mM sodium chloride, 20 mM MES, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition
0.65 mM [U-100% 15N] Hr4436B, 2 % sodium azide, 10 mM DTT, 50 uM ZnSo4, 50 uM DSS, 100 mM sodium chloride, 20 mM MES, 4.2 % C12E5 PEG/Hexanol, 95% H2O/5% D2O | 95% H2O/5% D2O
NMR sample composition
0.8 mM [U-100% 13C; U-100% 15N] Hr4436B, 2 % sodium azide, 10 mM DTT, 50 uM ZnSo4, 50 uM DSS, 100 mM sodium chloride, 20 mM MES, 5 % Positively Charged Stretch Polyacrylamide Gel, 95% H2O/5% D2O | 95% H2O/5% D2O
|
Resolution not provided |
| 2YRM Solution structure of the 1st zf-C2H2 domain from Human B-cell lymphoma 6 protein Deposited 2007-04-02 | Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
515–544（30 aa）
Fragment：zf-C2H2 domain
|
Not recorded | ZN ZINC ION × 1 |
SOLUTION NMR
NMR measurement conditions
pH 7；298 K；Ionic strength (raw mmCIF value) 120mM；Pressure ambient
NMR sample composition
1.17mM zf-C2H2 domain U-15N, 13C; 20mM d-Tris-HCl(pH 7.0); 100mM NaCl; 1mM d-DTT; 0.02% NaN3; 0.05mM ZnCl2; 1mM IDA; 90% H2O, 10% D2O | 90% H2O/10% D2O
|
Resolution not provided |
| 3BIM Crystal structure of the BCL6 BTB domain dimer in complex with the BCOR BBD corepressor peptide Deposited 2007-11-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain C
5–129（125 aa）
Fragment：BTB domain (also known as the POZ domain)
Chain D
5–129（125 aa）
Fragment：BTB domain (also known as the POZ domain)
|
Mutation：C8Q, C67R, C84N Mutation：C8Q, C67R, C84N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；75 mM NaAcetate, 900 mM K2HPO4, 700 NaH2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.60 Å R-free 0.260 |
| 3BIM Crystal structure of the BCL6 BTB domain dimer in complex with the BCOR BBD corepressor peptide Deposited 2007-11-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain G
5–129（125 aa）
Fragment：BTB domain (also known as the POZ domain)
Chain H
5–129（125 aa）
Fragment：BTB domain (also known as the POZ domain)
|
Mutation：C8Q, C67R, C84N Mutation：C8Q, C67R, C84N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；75 mM NaAcetate, 900 mM K2HPO4, 700 NaH2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.60 Å R-free 0.260 |
| 3BIM Crystal structure of the BCL6 BTB domain dimer in complex with the BCOR BBD corepressor peptide Deposited 2007-11-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
Fragment：BTB domain (also known as the POZ domain)
Chain B
5–129（125 aa）
Fragment：BTB domain (also known as the POZ domain)
|
Mutation：C8Q, C67R, C84N Mutation：C8Q, C67R, C84N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；75 mM NaAcetate, 900 mM K2HPO4, 700 NaH2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.60 Å R-free 0.260 |
| 3BIM Crystal structure of the BCL6 BTB domain dimer in complex with the BCOR BBD corepressor peptide Deposited 2007-11-30 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain E
5–129（125 aa）
Fragment：BTB domain (also known as the POZ domain)
Chain F
5–129（125 aa）
Fragment：BTB domain (also known as the POZ domain)
|
Mutation：C8Q, C67R, C84N Mutation：C8Q, C67R, C84N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；298 K；75 mM NaAcetate, 900 mM K2HPO4, 700 NaH2PO4, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.60 Å R-free 0.260 |
| 3E4U Crystal Structure of the Wild-Type Human BCL6 BTB/POZ Domain Deposited 2008-08-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：BTB Domain
Chain B
5–129（125 aa）
Fragment：BTB Domain
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；2.5 M sodium nitrate, 100 mM sodium acetate (pH 4.5), 40 mM spermidine, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.10 Å R-free 0.259 |
| 3E4U Crystal Structure of the Wild-Type Human BCL6 BTB/POZ Domain Deposited 2008-08-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
5–129（125 aa）
Fragment：BTB Domain
Chain D
5–129（125 aa）
Fragment：BTB Domain
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；2.5 M sodium nitrate, 100 mM sodium acetate (pH 4.5), 40 mM spermidine, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.10 Å R-free 0.259 |
| 3E4U Crystal Structure of the Wild-Type Human BCL6 BTB/POZ Domain Deposited 2008-08-12 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain E
5–129（125 aa）
Fragment：BTB Domain
Chain F
5–129（125 aa）
Fragment：BTB Domain
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；291 K；2.5 M sodium nitrate, 100 mM sodium acetate (pH 4.5), 40 mM spermidine, VAPOR DIFFUSION, SITTING DROP, temperature 291K
|
Resolution 2.10 Å R-free 0.259 |
| 3LBZ Crystal Structure of the BCL6 BTB domain complexed with the small molecule inhibitor 79-6 Deposited 2010-01-08 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：BTB domain, residues 5-129
Chain B
5–129（125 aa）
Fragment：BTB domain, residues 5-129
|
Mutation：C8Q, C67R, C84N Mutation：C8Q, C67R, C84N | Z88 N-[(4-bromophenyl)sulfonyl]acetamide × 2 Z89 (2R)-2-[(5Z)-5-(5-bromo-2-oxo-1,2-dihydro-3H-indol-3-ylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanedioic acid × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.3；296 K；1 microliter of protein solution (9.5 mg/ml BCL6-BTB in 20 mM Tris pH 8.3, 450 mM NaCl, 1 mM TCEP) was mixed with 1 microliter of reservoir solution (180 mM sodium acetate, 190 mM sodium formate, 10% Glycerol, 50 mM NaCl and 10mM N-(4-bromophenylsulfonyl)acetamide), VAPOR DIFFUSION, HANGING DROP, temperature 296K
|
Resolution 2.30 Å R-free 0.269 |
| 4CP3 The structure of BCL6 BTB (POZ) domain in complex with the ansamycin antibiotic rifabutin. Deposited 2014-01-31 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
9–128（120 aa）
Fragment：BTB DOMAIN, RESIDUES 9-128
Chain B
9–128（120 aa）
Fragment：BTB DOMAIN, RESIDUES 9-128
|
Mutation：YES Mutation：YES | RBT RIFABUTIN × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 5；20% PEG 6000, 100MM SODIUM CITRATE, PH 5.
|
Resolution 2.30 Å R-free 0.269 |
| 4U2M Crystal structure of a complex of the Miz1- and BCL6 POZ domains. Deposited 2014-07-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Monomer；Protein × 1 PDB declaration: Monomeric |
Chain A
5–129（125 aa）
Fragment：POZ domain, UNP residues 2-115,POZ domain, UNP residues 5-129
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；4 % PEG 3350, 3 % 2-propanol, 0.2 M ammonium citrate pH 4.5
|
Resolution 2.23 Å R-free 0.240 |
| 4U2M Crystal structure of a complex of the Miz1- and BCL6 POZ domains. Deposited 2014-07-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Insufficient information Monomer；Protein × 1 PDB declaration: Monomeric |
Chain B
5–129（125 aa）
Fragment：POZ domain, UNP residues 2-115,POZ domain, UNP residues 5-129
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；4 % PEG 3350, 3 % 2-propanol, 0.2 M ammonium citrate pH 4.5
|
Resolution 2.23 Å R-free 0.240 |
| 4U2M Crystal structure of a complex of the Miz1- and BCL6 POZ domains. Deposited 2014-07-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Insufficient information Monomer；Protein × 1 PDB declaration: Monomeric |
Chain C
5–129（125 aa）
Fragment：POZ domain, UNP residues 2-115,POZ domain, UNP residues 5-129
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；4 % PEG 3350, 3 % 2-propanol, 0.2 M ammonium citrate pH 4.5
|
Resolution 2.23 Å R-free 0.240 |
| 4U2M Crystal structure of a complex of the Miz1- and BCL6 POZ domains. Deposited 2014-07-17 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Insufficient information Monomer；Protein × 1 PDB declaration: Monomeric |
Chain D
5–129（125 aa）
Fragment：POZ domain, UNP residues 2-115,POZ domain, UNP residues 5-129
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.5；291 K；4 % PEG 3350, 3 % 2-propanol, 0.2 M ammonium citrate pH 4.5
|
Resolution 2.23 Å R-free 0.240 |
| 5H7G Crystal structure of the BCL6 BTB domain in complex with F1324 Deposited 2016-11-18 | 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 A
5–129（125 aa）
Fragment：UNP residues 5-129
Chain B
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；0.1M imidazole pH 6.5, 0.2M lithium sulfate, 25% PEG 3350, 15% MPD
|
Resolution 1.85 Å R-free 0.285 |
| 5H7H Crystal structure of the BCL6 BTB domain in complex with F1324(10-13) Deposited 2016-11-18 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；293 K；0.1M Tris pH 8.0, 0.6M potassium/sodium tartrate
|
Resolution 1.95 Å R-free 0.227 |
| 5MW2 CRYSTAL STRUCTURE OF BCL-6 BTB-domain with BI-3802 Deposited 2017-01-18 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | U52 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8；296 K；22.5 % PEG 3350
2 % isopropanol
0.1 M Calcium cloride
0.1 M HEPES
|
Resolution 2.35 Å R-free 0.283 |
| 5MW6 Crystal structure of the BCL6 BTB-domain with compound 1 Deposited 2017-01-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Chain B
5–129（125 aa）
|
Not recorded | RC0 5-chloranyl-~{N}-(4-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；296 K；0.1 M Na/K phosphate
20 % PEG 400
15 % PEG 1500
|
Resolution 1.65 Å R-free 0.210 |
| 5MWD Crystal structure of the BCL6 BTB-domain with compound 2 Deposited 2017-01-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q C67R C84N | TJ3 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 4.5；296 K；25 % PEG 3350
15 % Isopropanol
0.2 M Citrate
|
Resolution 1.85 Å R-free 0.209 |
| 5N1X Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Deposited 2017-02-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
9–128（120 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；unknown
|
Resolution 1.72 Å R-free 0.214 |
| 5N1X Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Deposited 2017-02-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
7–127（121 aa）
|
Not recorded | 8HH ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；unknown
|
Resolution 1.72 Å R-free 0.214 |
| 5N1X Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Deposited 2017-02-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain C
7–127（121 aa）
|
Not recorded | 8HH ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；unknown
|
Resolution 1.72 Å R-free 0.214 |
| 5N1X Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Deposited 2017-02-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain D
9–125（117 aa）
|
Not recorded | 8HH ~{N}-ethyl-5-pyridin-3-yl-pyrazolo[1,5-a]pyrimidin-7-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；unknown
|
Resolution 1.72 Å R-free 0.214 |
| 5N1Z Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine macrocyclic ligand Deposited 2017-02-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
6–128（123 aa）
|
Not recorded | CL CHLORIDE ION × 2 8GQ pyrazolo-pyrimidine macrocycle × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；unknown
|
Resolution 1.81 Å R-free 0.250 |
| 5N20 Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Deposited 2017-02-06 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
6–128（123 aa）
|
Not recorded | 8GN ~{N}-[5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-2-[(3~{R})-3-(dimethylamino)pyrrolidin-1-yl]phenyl]ethanamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；unknown
|
Resolution 1.38 Å R-free 0.222 |
| 5N21 Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Deposited 2017-02-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
7–128（122 aa）
|
Not recorded | CL CHLORIDE ION × 1 8HN 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；unknown
|
Resolution 1.58 Å R-free 0.192 |
| 5N21 Crystal structure of the BCL6 BTB domain in complex with pyrazolo-pyrimidine ligand Deposited 2017-02-06 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
7–128（122 aa）
|
Not recorded | CL CHLORIDE ION × 1 8HN 2-[(2~{S})-1-[3-cyano-7-[(2-oxidanylidene-3,4-dihydro-1~{H}-quinolin-6-yl)amino]pyrazolo[1,5-a]pyrimidin-5-yl]pyrrolidin-2-yl]ethanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；unknown
|
Resolution 1.58 Å R-free 0.192 |
| 5X4M Crystal structure of the BCL6 BTB domain in complex with Compound 1 Deposited 2017-02-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | 7ZF N-phenyl-1,3,5-triazine-2,4-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris, potassium/sodium tartrate
|
Resolution 1.65 Å R-free 0.206 |
| 5X4N Crystal structure of the BCL6 BTB domain in complex with Compound 4 Deposited 2017-02-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | 7ZL 5-chloro-N4-phenylpyrimidine-2,4-diamine × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris, potassium/sodium tartrate
|
Resolution 1.94 Å R-free 0.209 |
| 5X4O Crystal structure of the BCL6 BTB domain in complex with Compound 5 Deposited 2017-02-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | YAM N-methyl-N-{3-[({2-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]-5-(trifluoromethyl)pyrimidin-4-yl}amino)methyl]pyridin-2-yl}methanesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris, potassium/sodium tartrate
|
Resolution 2.05 Å R-free 0.233 |
| 5X4P Crystal structure of the BCL6 BTB domain in complex with Compound 6 Deposited 2017-02-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris, potassium/sodium tartrate
|
Resolution 2.06 Å R-free 0.219 |
| 5X4Q Crystal structure of the BCL6 BTB domain in complex with Compound 7 Deposited 2017-02-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | 7Z6 5-[[5-chloranyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]-1,3-dihydroindol-2-one × 1 EDO 1,2-ETHANEDIOL × 1 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris, potassium/sodium tartrate
|
Resolution 2.00 Å R-free 0.230 |
| 5X9O Crystal structure of the BCL6 BTB domain in complex with Compound 1a Deposited 2017-03-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | 80R 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one × 1 EDO 1,2-ETHANEDIOL × 1 K POTASSIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris, potassium/sodium tartrate
|
Resolution 1.58 Å R-free 0.213 |
| 5X9O Crystal structure of the BCL6 BTB domain in complex with Compound 1a Deposited 2017-03-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | 80R 5-[(2-chloranyl-4-nitro-phenyl)amino]-1,3-dihydrobenzimidazol-2-one × 2 EDO 1,2-ETHANEDIOL × 2 K POTASSIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris, potassium/sodium tartrate
|
Resolution 1.58 Å R-free 0.213 |
| 5X9P Crystal structure of the BCL6 BTB domain in complex with Compound 5 Deposited 2017-03-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | 80L 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris, potassium/sodium tartrate
|
Resolution 1.86 Å R-free 0.235 |
| 5X9P Crystal structure of the BCL6 BTB domain in complex with Compound 5 Deposited 2017-03-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：UNP residues 5-129
|
Not recorded | 80L 3-[[4-chloranyl-2-nitro-5-[(2-oxidanylidene-1,3-dihydrobenzimidazol-5-yl)amino]phenyl]amino]propanoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；293 K；Bis-Tris, potassium/sodium tartrate
|
Resolution 1.86 Å R-free 0.235 |
| 6C3L Crystal structure of BCL6 BTB domain with compound 15f Deposited 2018-01-10 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
5–129（125 aa）
|
Mutation：C10Q; C69R; C86N; E101V | EGP N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M sodium acetate pH 4.5, 27% (w/v) PEG-3,350
|
Resolution 1.46 Å R-free 0.235 |
| 6C3L Crystal structure of BCL6 BTB domain with compound 15f Deposited 2018-01-10 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
5–129（125 aa）
|
Mutation：C10Q; C69R; C86N; E101V | EGP N-[2-(1H-indol-3-yl)ethyl]-N'-{3-[(4-methylpiperazin-1-yl)methyl]-1-[2-(morpholin-4-yl)-2-oxoethyl]-1H-indol-6-yl}thiourea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；0.1 M sodium acetate pH 4.5, 27% (w/v) PEG-3,350
|
Resolution 1.46 Å R-free 0.235 |
| 6C3N Crystal structure of BCL6 BTB domain in complex with compound 7CC5 Deposited 2018-01-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–129（129 aa）
Chain B
1–129（129 aa）
|
Not recorded | EHY N-(2-phenylethyl)-N'-pyridin-3-ylthiourea × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；1.6 M ammonium formate, .1 M Tris, pH 7.5
|
Resolution 2.53 Å R-free 0.268 |
| 6CQ1 BCL6 BTB domain in complex with 15a Deposited 2018-03-14 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–129（129 aa）
Chain B
1–129（129 aa）
|
Mutation：C10Q; C69R; C86N; E101V Mutation：C10Q; C69R; C86N; E101V | F8J 2-{6-({[2-(1H-indol-3-yl)ethyl]carbamothioyl}amino)-3-[(4-methylpiperazin-1-yl)methyl]-1H-indol-1-yl}-N-(propan-2-yl)acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；277 K；.2 M NaCl, .1 M sodium cacodylate pH 6.0, 8% (w/v) PEG-8,000
|
Resolution 1.70 Å R-free 0.216 |
| 6EW6 Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand Deposited 2017-11-03 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
6–128（123 aa）
|
Not recorded | C0H ~{N}2-(2-chlorophenyl)-1,3,5-triazine-2,4-diamine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；unknown
|
Resolution 1.39 Å R-free 0.222 |
| 6EW7 Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand Deposited 2017-11-03 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
7–128（122 aa）
Chain B
7–128（122 aa）
|
Not recorded | CL CHLORIDE ION × 2 C1W 2-chloranyl-4-[[5-chloranyl-4-[(4-fluorophenyl)amino]pyrimidin-2-yl]amino]benzoic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；310 K；unknown
|
Resolution 1.60 Å R-free 0.236 |
| 6EW8 Crystal structure of the BCL6 BTB domain in complex with anilinopyrimidine ligand Deposited 2017-11-03 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
6–129（124 aa）
|
Not recorded | CL CHLORIDE ION × 2 C0Q anilinopyrimidine ligand × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；310 K；unknown
|
Resolution 1.84 Å R-free 0.244 |
| 6TBT Crystal structure of the BCL6 BTB domain in complex with an Apt48 peptide Deposited 2019-11-04 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
6–129（124 aa）
Chain B
6–129（124 aa）
|
Mutation：C8Q, C67R, C84N Mutation：C8Q, C67R, C84N | CL CHLORIDE ION × 5 MG MAGNESIUM ION × 2 GOL GLYCEROL × 1 NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2.4 M NaCl, 0.1 M Tris pH 7, 0.2 M MgCl2
|
Resolution 1.63 Å R-free 0.177 |
| 6TCJ Crystal structure of the BCL6 BTB domain in complex with a hybrid BTB-binding (HBP) peptide Deposited 2019-11-06 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
6–129（124 aa）
Chain B
6–129（124 aa）
|
Mutation：C8Q, C67R, C84N Mutation：C8Q, C67R, C84N | NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 8.5；291 K；9.9% (v/v) MPD, 2.64% (w/v), PEG 8000 0.5 M NaCl, 0.1M Tris pH 8.5
|
Resolution 2.13 Å R-free 0.249 |
| 6TOF Crystal structure of human BCL6 BTB domain in complex with compound 4 Deposited 2019-12-11 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | NQE 2-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.67 Å R-free 0.216 |
| 6TOG Crystal structure of human BCL6 BTB domain in complex with compound 5 Deposited 2019-12-11 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | NQH 2-chloranyl-4-(cyclopropylmethylamino)pyridine-3-carbonitrile × 2 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.69 Å R-free 0.250 |
| 6TOH Crystal structure of human BCL6 BTB domain in complex with compound 6 Deposited 2019-12-11 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | NQK 2-chloranyl-4-[(1,3-dimethyl-2-oxidanylidene-benzimidazol-5-yl)amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microlitre of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.58 Å R-free 0.197 |
| 6TOI Crystal structure of human BCL6 BTB domain in complex with compound 11f Deposited 2019-12-11 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | NQN 2-chloranyl-4-[[1-methyl-3-[(3~{R})-3-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 10 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.58 Å R-free 0.184 |
| 6TOJ Crystal structure of human BCL6 BTB domain in complex with compound 17a Deposited 2019-12-11 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | NQQ 2-chloranyl-4-[[1-methyl-3-(3-methyl-3-oxidanyl-butyl)-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.85 Å R-free 0.205 |
| 6TOK Crystal structure of human BCL6 BTB domain in complex with compound 23d Deposited 2019-12-11 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | NQT 5-[[5-chloranyl-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one × 2 EDO 1,2-ETHANEDIOL × 24 DMS DIMETHYL SULFOXIDE × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.43 Å R-free 0.187 |
| 6TOL Crystal structure of human BCL6 BTB domain in complex with compound 25a Deposited 2019-12-11 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | NQW 5-[[5-chloranyl-2-[(2~{S},6~{R})-2,6-dimethylmorpholin-4-yl]pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one × 2 EDO 1,2-ETHANEDIOL × 16 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.64 Å R-free 0.205 |
| 6TOM Crystal structure of human BCL6 BTB domain in complex with compound 1 Deposited 2019-12-11 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | NQZ 5-[[2-[(3~{S},5~{R})-4,4-bis(fluoranyl)-3,5-dimethyl-piperidin-1-yl]-5-chloranyl-pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one × 2 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.90 Å R-free 0.218 |
| 6TON Crystal structure of human BCL6 BTB domain in complex with compound 25b Deposited 2019-12-11 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | NR5 5-[[5-chloranyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)pyrimidin-4-yl]amino]-1-methyl-3-(3-methyl-3-oxidanyl-butyl)benzimidazol-2-one × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 2.36 Å R-free 0.232 |
| 6TOO Crystal structure of human BCL6 BTB domain in complex with compound 11a Deposited 2019-12-11 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | NR8 2-chloranyl-4-[[1-methyl-3-[(2~{S})-2-oxidanylbutyl]-2-oxidanylidene-benzimidazol-5-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.53 Å R-free 0.195 |
| 6XMX Cryo-EM structure of BCL6 bound to BI-3802 Deposited 2020-07-01 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 8 PDB declaration: octameric |
Chain A
5–360（356 aa）
Chain B
5–360（356 aa）
Chain C
5–360（356 aa）
Chain D
5–360（356 aa）
Chain E
5–360（356 aa）
Chain F
5–360（356 aa）
Chain G
5–360（356 aa）
Chain H
5–360（356 aa）
|
Mutation：R160C Mutation：R160C Mutation：R160C Mutation：R160C Mutation：R160C Mutation：R160C Mutation：R160C Mutation：R160C | U52 2-[6-[[5-chloranyl-2-[(3~{S},5~{R})-3,5-dimethylpiperidin-1-yl]pyrimidin-4-yl]amino]-1-methyl-2-oxidanylidene-quinolin-3-yl]oxy-~{N}-methyl-ethanamide × 8 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.4
cryo-EM vitrification conditions
Cryogen ETHANE；4 ul sample applied twice, blotted 1.3s each time
|
Resolution 3.70 Å |
| 6XWF Crystal structure of an NCoR1BBD2-BCL6BTB chimera Deposited 2020-01-23 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
6–129（124 aa）
|
Not recorded | MPD (4S)-2-METHYL-2,4-PENTANEDIOL × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；298 K；2.2M NaCl, 10% MPD, 0.1M imidazole pH 6.5, 0.1M CaCl2
|
Resolution 1.60 Å R-free 0.218 |
| 6XXS Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with the NcoR1 BBD1 corepressor peptide. Deposited 2020-01-28 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 8 PDB declaration: octameric |
Chain A
6–129（124 aa）
Chain B
6–129（124 aa）
Chain E
6–129（124 aa）
Chain F
6–129（124 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；298 K；2M Sodium chloride 5%(w/v) PEG 4000 0.1M Tris base/ Hydrochloric acid pH 8.5
|
Resolution 3.25 Å R-free 0.225 |
| 6XYX Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD corepressor peptide Deposited 2020-01-31 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
6–129（124 aa）
Chain B
6–129（124 aa）
|
Not recorded | NA SODIUM ION × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.2 M Sodium acetate trihydrate 0.1 M Bis-Tris propane 7.5 20 % w/v PEG 3350
|
Resolution 1.44 Å R-free 0.198 |
| 6XZZ Crystal structure of the BCL6 BTB domain in complex with the NCoR1 BBD2 peptide Deposited 2020-02-05 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
6–129（124 aa）
|
Not recorded | NA SODIUM ION × 14 CL CHLORIDE ION × 4 TFA trifluoroacetic acid × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；13.4%(v/v) PEG 400, 0.335M K2HPO4 / NaH2PO4 pH 7.5
|
Resolution 1.39 Å R-free 0.206 |
| 6Y17 Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with nebulinSH3-NCoR1BBD1 Deposited 2020-02-11 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
6–129（124 aa）
Chain B
6–129（124 aa）
|
Not recorded | NA SODIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；0.66 M ammonium sulfate, 3.3% (v/v) glycerol, 0.05 M magnesium sulfate, 0.1 M imidazole/ hydrochloric acid pH 6.5
|
Resolution 1.56 Å R-free 0.201 |
| 6ZBU Crystal structure of an NCoR1BBD2-BCL6BTB chimera in complex with the NcoR1 BBD1 corepressor peptide Deposited 2020-06-09 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: dodecameric |
Chain A
6–129（124 aa）
Chain B
6–129（124 aa）
Chain E
6–129（124 aa）
Chain F
6–129（124 aa）
Chain I
6–129（124 aa）
Chain J
6–129（124 aa）
|
Not recorded | SO4 SULFATE ION × 28 GOL GLYCEROL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；298 K；1.34M Ammonium sulfate 0.67%(v/v) MPD 0.1M HEPES/ Sodium hydroxide pH 7.5
|
Resolution 2.46 Å R-free 0.259 |
| 7BDE HUMAN BCL6 BTB-DOMAIN IN COMPLEX WITH GSK137 Deposited 2020-12-21 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：BTB DOMAIN (RESIDUES 5-129)
|
Mutation：YES | TEQ 5-[(5S,7R)-3-fluoranyl-7-(2-methylpyridin-3-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-5-yl]quinolin-2-amine × 2 GOL GLYCEROL × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；PEG3350, Glycerol, BisTris Propane
|
Resolution 2.04 Å R-free 0.241 |
| 7GUD Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 1.51 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.199 |
| 7GUE Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 3.02 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.206 |
| 7GUF Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 4.53 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.202 |
| 7GUG Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 6.04 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.203 |
| 7GUH Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 7.55 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.201 |
| 7GUI Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 9.06 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.209 |
| 7GUJ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 10.57 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.206 |
| 7GUK Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 12.08 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.209 |
| 7GUL Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 13.59 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.204 |
| 7GUM Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 15.10 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.212 |
| 7GUN Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 16.61 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.208 |
| 7GUO Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 18.12 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.213 |
| 7GUP Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 19.63 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.206 |
| 7GUQ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 21.14 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.207 |
| 7GUR Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 1 at 22.65 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 7ZO 5-[(5-chloranylpyrimidin-4-yl)amino]-1,3-dihydroindol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.80 Å R-free 0.211 |
| 7GUS Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 1.25 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.215 |
| 7GUT Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 2.50 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.212 |
| 7GUU Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 3.75 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.203 |
| 7GUV Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 5.00 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.209 |
| 7GUW Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 6.25 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.208 |
| 7GUX Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 7.50 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.204 |
| 7GUY Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 8.75 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.204 |
| 7GUZ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 10.00 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.205 |
| 7GV0 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 11.25 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.209 |
| 7GV1 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 12.50 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.203 |
| 7GV2 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 13.75 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.203 |
| 7GV3 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 15.00 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.206 |
| 7GV4 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 16.25 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.204 |
| 7GV5 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 17.50 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.201 |
| 7GV6 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 2 at 18.75 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACA 5-[(5-bromo-2-chloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.202 |
| 7GV7 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 1.45 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.200 |
| 7GV8 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 2.90 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.199 |
| 7GV9 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 4.35 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.192 |
| 7GVA Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 5.80 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.200 |
| 7GVB Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 7.25 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.197 |
| 7GVC Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 8.70 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.198 |
| 7GVD Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 10.15 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.196 |
| 7GVE Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 11.60 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.206 |
| 7GVF Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 13.05 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.199 |
| 7GVG Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 14.50 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.202 |
| 7GVH Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 15.95 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.202 |
| 7GVI Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 17.40 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.207 |
| 7GVJ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 18.85 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.203 |
| 7GVK Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 20.30 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.204 |
| 7GVL Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 3 at 21.75 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACL 5-[(5,6-dichloropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.205 |
| 7GVM Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 1.40 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.223 |
| 7GVN Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 2.80 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.217 |
| 7GVO Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 4.20 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.209 |
| 7GVP Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 5.60 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.212 |
| 7GVQ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 7.00 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.211 |
| 7GVR Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 8.40 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.213 |
| 7GVS Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 9.80 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.210 |
| 7GVT Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 11.20 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.211 |
| 7GVU Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 12.60 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.213 |
| 7GVV Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 14.00 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.213 |
| 7GVW Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 15.40 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.214 |
| 7GVX Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 16.80 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.209 |
| 7GVY Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 18.20 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.213 |
| 7GVZ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 19.60 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.213 |
| 7GW0 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 4 at 21.00 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACR 5-[(2,5-dichloropyridin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.212 |
| 7GW1 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 1.29 MGy X-ray dose Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.192 |
| 7GW2 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 2.58 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.188 |
| 7GW3 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 3.87 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.190 |
| 7GW4 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 5.16 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.190 |
| 7GW5 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 6.45 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.191 |
| 7GW6 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 7.74 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.190 |
| 7GW7 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 9.03 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.187 |
| 7GW8 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 10.32 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.194 |
| 7GW9 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 11.61 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.192 |
| 7GWA Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 12.90 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.193 |
| 7GWB Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 14.19 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.191 |
| 7GWC Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 15.48 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.196 |
| 7GWD Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 16.77 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.199 |
| 7GWE Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 18.06 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.199 |
| 7GWF Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 5 at 19.35 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACW 5-[(2-chloro-5-fluoropyrimidin-4-yl)amino]-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.75 Å R-free 0.197 |
| 7GWG Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 1.23 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.206 |
| 7GWH Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 2.46 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.206 |
| 7GWI Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 3.69 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.208 |
| 7GWJ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 4.92 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.206 |
| 7GWK Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 6.15 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.202 |
| 7GWL Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 7.38 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.203 |
| 7GWM Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 8.61 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.208 |
| 7GWN Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 9.84 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.208 |
| 7GWO Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 11.07 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.204 |
| 7GWP Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 12.30 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.204 |
| 7GWQ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 13.53 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.207 |
| 7GWR Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 14.76 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.203 |
| 7GWS Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 15.99 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.199 |
| 7GWT Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 17.22 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.199 |
| 7GWU Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 6 at 18.45 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ADA 5-{[5-chloro-2-(dimethylamino)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.90 Å R-free 0.204 |
| 7GWV Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 1.45 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.210 |
| 7GWW Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 2.90 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.217 |
| 7GWX Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 4.35 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.212 |
| 7GWY Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 5.80 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.210 |
| 7GWZ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 7.25 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.203 |
| 7GX0 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 8.70 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.209 |
| 7GX1 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 10.15 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.208 |
| 7GX2 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 11.60 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.207 |
| 7GX3 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 13.05 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.200 |
| 7GX4 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 14.50 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.209 |
| 7GX5 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 15.95 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.206 |
| 7GX6 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 17.40 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.207 |
| 7GX7 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 18.85 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.200 |
| 7GX8 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 20.30 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.209 |
| 7GX9 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 7 at 21.75 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1AB9 4-chloro-6-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidine-5-carbonitrile × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.70 Å R-free 0.204 |
| 7GXA Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 1.81 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.205 |
| 7GXB Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 3.62 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.206 |
| 7GXC Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 5.43 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.207 |
| 7GXD Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 7.24 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.208 |
| 7GXE Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 9.05 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.202 |
| 7GXF Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 10.86 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.201 |
| 7GXG Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 12.67 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.207 |
| 7GXH Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 14.48 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.208 |
| 7GXI Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 16.29 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.201 |
| 7GXJ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 18.10 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.205 |
| 7GXK Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 19.91 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.206 |
| 7GXL Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 21.72 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.208 |
| 7GXM Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 23.53 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.207 |
| 7GXN Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 25.34 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.202 |
| 7GXO Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 8 at 27.15 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACB 5-{[5-chloro-2-(methylsulfanyl)pyrimidin-4-yl]amino}-1,3-dihydro-2H-indol-2-one × 2 CL CHLORIDE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.95 Å R-free 0.212 |
| 7GXP Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 1.42 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.213 |
| 7GXQ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 2.84 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.213 |
| 7GXR Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 4.26 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.209 |
| 7GXS Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 5.68 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.218 |
| 7GXT Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 7.10 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.214 |
| 7GXU Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 8.52 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.218 |
| 7GXV Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 9.94 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.210 |
| 7GXW Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 11.36 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.215 |
| 7GXX Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 12.78 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.222 |
| 7GXY Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 14.20 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.221 |
| 7GXZ Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 15.62 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.218 |
| 7GY0 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 17.04 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.216 |
| 7GY1 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 18.46 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.213 |
| 7GY2 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 19.88 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.221 |
| 7GY3 Crystal Structure of B-cell lymphoma 6 protein BTB domain in complex with ligand 9 at 21.30 MGy X-ray dose. Deposited 2024-01-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | A1ACC (8S)-5-chloro-7-[(2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carbonitrile × 2 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；1.0 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate pH 4.5, 2% DMSO
|
Resolution 1.85 Å R-free 0.214 |
| 7LWE Crystal structure of the BCL6 BTB domain in complex with OICR-7629 Deposited 2021-03-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–129（129 aa）
Fragment：BTB domain, residues 1-129
|
Mutation：C8Q, C67R, C84N | YND N-(3-chloropyridin-4-yl)-2-(3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide × 2 FMT FORMIC ACID × 2 ACT ACETATE ION × 4 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.6；293 K；1.2 M Ammonium sulfate, 0.1 M citrate pH 5.6 with 0.5 mM compound
|
Resolution 1.17 Å R-free 0.131 |
| 7LWF Crystal structure of the BCL6 BTB domain in complex with OICR-9320 Deposited 2021-03-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：BTB domain, residues 5-129
|
Mutation：C8Q, C67R, C84N | YNA N-(3-chloropyridin-4-yl)-2-[5-(3-cyano-4-hydroxyphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；293 K；PEG, citrate cocrystallization, crystal soaked with Hepes pH 7.4, 20% glycerol, ligand prior to freezing.
|
Resolution 1.22 Å R-free 0.167 |
| 7LWG Crystal structure of the BCL6 BTB domain in complex with OICR-12694 Deposited 2021-03-01 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：BTB domain, residues 5-129
Chain B
5–129（125 aa）
Fragment：BTB domain, residues 5-129
|
Mutation：C8Q, C67R, C84N Mutation：C8Q, C67R, C84N | YN7 5-{(5S)-1-[2-({3-chloro-6-[(2S)-2,4-dimethylpiperazin-1-yl]-2-fluoropyridin-4-yl}amino)-2-oxoethyl]-4-oxo-4,6,7,8-tetrahydro-1H-dipyrrolo[1,2-a:2',3'-d]pyrimidin-3-yl}-3,4-difluoro-2-hydroxybenzamide × 2 GOL GLYCEROL × 2 UNX UNKNOWN LIGAND × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 5.2；293 K；10% PEG 6000, 0.1M Acetate:MES buffer pH 5.2, 10% DMSO, 50 mM CaCl2 with microseeding
|
Resolution 1.30 Å R-free 0.184 |
| 7LZQ Crystal structure of the BCL6 BTB domain in complex with OICR-4425 Deposited 2021-03-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
1–129（129 aa）
Fragment：BTB domain, residues 1-129
|
Mutation：C8Q, C67R, C84N | YJV N-(3-chloropyridin-4-yl)-2-(5-methyl-4-oxo-4,5-dihydro-1H-pyrrolo[3,2-c]pyridin-1-yl)acetamide × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；293 K；Protein (Bcl6 BTB domain(1-129) 13 mg/ml in protein buffer( 20 mM Tris pH 8.3, 300 mM NaCl, 10% glycerol, 1 mM TECEP)) was mixed 1:1 with reservoir buffer (1.3M sodium formate, 0.1M Na acetate pH 5.2. Ostwald ripening of the early appearing crystals took place over about 5 days. To affect a partial dehydration the reservoir buffer was exchanged in 0.5 M steps to 4 M Na formate/0.1M Na acetate pH 5.2. In separate wells drops of soaking buffer ((1 M Na formate, 5% glycerol, 50 mM Na acetate pH5.2, 10 mM Tris pH 8.3, 150 mM NaCl) was also equilibrated against the 4 M formate/acetate. Crystals were transferred to equilibrated soaking buffer to which 2.5 mM OICR-4425 and 5% DMSO had been added.
|
Resolution 1.71 Å R-free 0.194 |
| 7LZR Crystal structure of the BCL6 BTB domain in complex with OICR-10256 Deposited 2021-03-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：BTB domain, residues 5-129
Chain B
5–129（125 aa）
Fragment：BTB domain, residues 5-129
|
Mutation：C8Q, C67R,C84N Mutation：C8Q, C67R,C84N | SO4 SULFATE ION × 2 GOL GLYCEROL × 2 CL CHLORIDE ION × 3 YJJ N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 4.6；293 K；10% PEG 6000, 0.1M MES pH 4.6, 100 mM AmSO4, 10% glycerol, 10% DMSO
|
Resolution 1.34 Å R-free 0.159 |
| 7LZR Crystal structure of the BCL6 BTB domain in complex with OICR-10256 Deposited 2021-03-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
5–129（125 aa）
Fragment：BTB domain, residues 5-129
Chain D
5–129（125 aa）
Fragment：BTB domain, residues 5-129
|
Mutation：C8Q, C67R,C84N Mutation：C8Q, C67R,C84N | SO4 SULFATE ION × 3 GOL GLYCEROL × 1 CL CHLORIDE ION × 2 YJJ N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 4.6；293 K；10% PEG 6000, 0.1M MES pH 4.6, 100 mM AmSO4, 10% glycerol, 10% DMSO
|
Resolution 1.34 Å R-free 0.159 |
| 7LZS Crystal structure of the BCL6 BTB domain in complex with OICR-11029 Deposited 2021-03-10 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Fragment：BTB domain, residues 5-129
|
Mutation：C8Q, C67R, C84N | YJS 3-chloro-5-{7-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide × 2 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；293 K；8% PEG 6000, 0.1 M Na Acetate pH 4.8, and 100 mM AmS04
|
Resolution 1.49 Å R-free 0.178 |
| 7OKD Crystal structure of human BCL6 BTB domain in complex with compound 25 Deposited 2021-05-17 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | VGW 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 6 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.94 Å R-free 0.198 |
| 7OKE Crystal structure of human BCL6 BTB domain in complex with compound 2 Deposited 2021-05-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | VHQ 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 14 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.48 Å R-free 0.187 |
| 7OKF Crystal structure of human BCL6 BTB domain in complex with compound 8c Deposited 2021-05-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | VH5 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 12 DMS DIMETHYL SULFOXIDE × 6 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.60 Å R-free 0.178 |
| 7OKG Crystal structure of human BCL6 BTB domain in complex with compound 8e Deposited 2021-05-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | VHB 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 10 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.32 Å R-free 0.180 |
| 7OKH Crystal structure of human BCL6 BTB domain in complex with compound 8f Deposited 2021-05-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | VHK 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 12 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.52 Å R-free 0.194 |
| 7OKI Crystal structure of human BCL6 BTB domain in complex with compound 12b Deposited 2021-05-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | VHZ (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide × 2 EDO 1,2-ETHANEDIOL × 6 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.61 Å R-free 0.189 |
| 7OKJ Crystal structure of human BCL6 BTB domain in complex with compound 12c and its enantiomer 12b Deposited 2021-05-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | VHN (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide × 2 VHZ (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide × 2 EDO 1,2-ETHANEDIOL × 12 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.43 Å R-free 0.177 |
| 7OKK Crystal structure of human BCL6 BTB domain in complex with compound 12e Deposited 2021-05-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | VH8 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide × 2 EDO 1,2-ETHANEDIOL × 6 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 2.05 Å R-free 0.224 |
| 7OKL Crystal structure of human BCL6 BTB domain in complex with compound 13e Deposited 2021-05-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | VJ5 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 12 CL CHLORIDE ION × 6 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.20 Å R-free 0.191 |
| 7OKM Crystal structure of human BCL6 BTB domain in complex with compound 13g Deposited 2021-05-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | VJ2 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 12 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.48 Å R-free 0.206 |
| 7Q7R Crystal structure of human BCL6 BTB domain in complex with compound 1 Deposited 2021-11-09 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | 9IH 2-chloranyl-4-[[(2S)-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-6-oxidanylidene-2,4-dihydro-1H-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.70 Å R-free 0.206 |
| 7Q7S Crystal structure of human BCL6 BTB domain in complex with compound 4 Deposited 2021-11-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 97S 2-chloranyl-4-[[4-(ethylamino)-1,3-dimethyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 10 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.44 Å R-free 0.200 |
| 7Q7T Crystal structure of human BCL6 BTB domain in complex with compound 7 Deposited 2021-11-09 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | 9FW 2-chloranyl-4-[[(2S)-2,7-dimethyl-5,6-bis(oxidanylidene)-2,3-dihydro-1H-[1,4]oxazepino[6,5-c]quinolin-10-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 10 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.46 Å R-free 0.213 |
| 7Q7U Crystal structure of human BCL6 BTB domain in complex with compound 9a Deposited 2021-11-09 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | 9IE 2-chloranyl-4-[[(2S)-2,7-dimethyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.78 Å R-free 0.228 |
| 7Q7V Crystal structure of human BCL6 BTB domain in complex with compound 12a Deposited 2021-11-09 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | 9GR 2-chloranyl-4-[[(2R)-2-cyclopropyl-7-methyl-6-oxidanylidene-1,2,3,4-tetrahydro-[1,4]oxazepino[2,3-c]quinolin-10-yl]amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.81 Å R-free 0.206 |
| 7QK0 Crystal structure of human BCL6 BTB domain in complex with compound 12a Deposited 2021-12-17 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | EBL (2~{S})-10-[[5-chloranyl-2-[(3~{S},5~{R})-3-methyl-5-oxidanyl-piperidin-1-yl]pyrimidin-4-yl]amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one × 2 CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.96 Å R-free 0.220 |
| 7RUW Crystal structure of the BCL6 BTB domain in complex with OICR-7859 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q, C67R, C84N | 7RR 2-(2-amino-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-N-(3-chloropyridin-4-yl)acetamide × 2 FMT FORMIC ACID × 6 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.2；290 K；1.3M sodium formate, 0.1M Na acetate pH 5.2
|
Resolution 1.30 Å R-free 0.169 |
| 7RUX Crystal structure of the BCL6 BTB domain in complex with OICR-8311 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q, C67R, C84N | 7RW N-(3-chloropyridin-4-yl)-2-(3-(cyclopropylmethyl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide × 2 FMT FORMIC ACID × 6 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；292 K；sodium formate, sodium acetate, pH 4.8
|
Resolution 1.30 Å R-free 0.158 |
| 7RUY Crystal structure of the BCL6 BTB domain in complex with OICR-8388 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q, C67R, C84N | 7S0 N-(3-chloropyridin-4-yl)-2-(2-{[(2,4-dimethoxyphenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide × 2 FMT FORMIC ACID × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.8；292 K；sodium formate, sodium acetate, pH 4.8
|
Resolution 1.27 Å R-free 0.171 |
| 7RUZ Crystal structure of the BCL6 BTB domain in complex with OICR-8445 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q, C67R, C84N | 7S5 2-[2-(benzylamino)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide × 2 FMT FORMIC ACID × 8 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.8；292 K；sodium formate, sodium acetate, pH 4.8
|
Resolution 1.62 Å R-free 0.233 |
| 7RV0 Crystal structure of the BCL6 BTB domain in complex with OICR-8446 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q, C67R, C84N | 7RL N-(3-chloropyridin-4-yl)-2-(2-{[(2-fluorophenyl)methyl]amino}-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)acetamide × 2 FMT FORMIC ACID × 8 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 4.8；292 K；sodium formate, sodium acetate, pH 4.8
|
Resolution 1.45 Å R-free 0.170 |
| 7RV1 Crystal structure of the BCL6 BTB domain in complex with OICR-8826 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q, C67R, C84N | 7RH (E)-3-(7-(2-((3-chloropyridin-4-yl)amino)-2-oxoethyl)-3-(3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl)-4-oxo-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl)acrylamide × 2 SO4 SULFATE ION × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.2；292 K；Ammoniuim sulfate , acetate pH 5.2
|
Resolution 1.17 Å R-free 0.151 |
| 7RV2 Crystal structure of the BCL6 BTB domain in complex with OICR-8828 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q, C67R, C84N | 828 N-(3-chloropyridin-4-yl)-2-{3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-5-[(E)-2-sulfamoylethenyl]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide × 2 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 6 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5.2；292 K；Co-crystal in Ammonium sulfate, Na Acetate pH 5.2. Crystal soaked in Hepes pH 7.4 before freezing.
|
Resolution 1.29 Å R-free 0.156 |
| 7RV3 Crystal structure of the BCL6 BTB domain in complex with OICR-9124 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q,C67R,C84N | 7R5 N-(3-chloropyridin-4-yl)-2-[2-(morpholin-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide × 2 SO4 SULFATE ION × 4 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.8；292 K；Co-crystal grown from Ammonium sulfate with Bis-Tris buffer pH 8.8. Shifted to Hepes 7.4 before freezing
|
Resolution 1.35 Å R-free 0.186 |
| 7RV4 Crystal structure of the BCL6 BTB domain in complex with OICR-9153 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q,C67R,C84N | 7SO N-(3-chloropyridin-4-yl)-2-{5-(3-cyanophenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide × 2 DMS DIMETHYL SULFOXIDE × 2 SO4 SULFATE ION × 4 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 5；292 K；Cocrystal with 1.2M Ammonium Sulfate, Na. Aceteate pH5.
Shifted to 1.5 M Ammonium sulfate 0.1M Hepes 7.4, 20% glycerol prior to paratone and freezing.
|
Resolution 1.25 Å R-free 0.147 |
| 7RV5 Crystal structure of the BCL6 BTB domain in complex with OICR-9287 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q,C67R,C84N | 7RB 2-[2-(4-benzylpiperidin-1-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]-N-(3-chloropyridin-4-yl)acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 6.5；292 K；Precipitant solution was 16-20% PEG 8K in 0.1M pH 6.5 Hepes buffer, 50 mM CaCl2 with microseeding. Crystals were soaked in 0.1M Hepes 7.4, 20% PEG 8K, 25% glycerol 0.5 mM ligand prior to passage through paratone and freezing. Crystals grew as large doubly birefringent rods which were gently crushed. Singly birefringent pieces were selected for data collection.
|
Resolution 2.21 Å R-free 0.226 |
| 7RV6 Crystal structure of the BCL6 BTB domain in complex with OICR-9288 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q,C67R,C84N | 7SC N-(3-chloropyridin-4-yl)-2-{4-oxo-2-[(2-phenylethyl)amino]-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide × 2 DMS DIMETHYL SULFOXIDE × 2 GOL GLYCEROL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 7.4；292 K；16-20% PEG 8K in 0.1M pH 7.4 Hepes buffer, 50 mM CaCl2. Crystals were soaked in 0.1M Hepes 7.4, 20% PEG 8K, 25% glycerol 0.5 mM ligand prior to passage through paratone and freezing.
|
Resolution 1.68 Å R-free 0.193 |
| 7RV7 Crystal structure of the BCL6 BTB domain in complex with OICR-9322 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q,C67R,C84N | 7SH N-(3-chloropyridin-4-yl)-2-{5-(3-cyano-4-hydroxyphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide × 2 GOL GLYCEROL × 4 CA CALCIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 6；292 K；Precipitant solution was 16-20% PEG 8K in 0.1M pH 6. BisTris buffer. Crystals were soaked in 0.1M Hepes 7.4, 20% PEG 8K, 25% glycerol 0.5 mM ligand prior to passage through paratone and freezing.
|
Resolution 1.63 Å R-free 0.196 |
| 7RV8 Crystal structure of the BCL6 BTB domain in complex with OICR-10268 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q,C67R,C84N | 7ST N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 4.6；292 K；10% PEG6K with 0.1M MES pH 4.6, 100 mM AmSO4, 10% glycerol, 10% DMSO in Reservoir. Shifted to pH 7.4, 20% glycerol for freezing
|
Resolution 1.25 Å R-free 0.162 |
| 7RV9 Crystal structure of the BCL6 BTB domain in complex with OICR-10269 Deposited 2021-08-18 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Mutation：C8Q,C67R,C84N | 7SZ N-[5-chloro-2-(4-methylpiperazin-1-yl)pyridin-4-yl]-2-{5-(3-cyano-4-hydroxy-5-methylphenyl)-3-[3-(1-methyl-1H-pyrazol-4-yl)prop-2-yn-1-yl]-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl}acetamide × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 4.6；292 K；Microseeding with10% PEG6K with 0.1M MES pH 4.6, 100 mM AmSO4, 10% glycerol, 10% DMSO in Reservoir. Shifted to pH 7.4, 20% glycerol for freezing
|
Resolution 1.50 Å R-free 0.178 |
| 7T0S Crystal structure of the BCL6 BTB domain in complex with OICR-11864 Deposited 2021-11-30 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | E2E 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide × 2 GOL GLYCEROL × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.6；290 K；21% PEG6K as precipitant in pH 6.6 Cacodylate 10% DMSO +100 mM AmSO4
Crystal cryoprotected in resevoir buffer containing 25% glycerol
|
Resolution 1.86 Å R-free 0.249 |
| 7T0S Crystal structure of the BCL6 BTB domain in complex with OICR-11864 Deposited 2021-11-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain B
5–129（125 aa）
Chain C
5–129（125 aa）
|
Not recorded | E2E 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.6；290 K；21% PEG6K as precipitant in pH 6.6 Cacodylate 10% DMSO +100 mM AmSO4
Crystal cryoprotected in resevoir buffer containing 25% glycerol
|
Resolution 1.86 Å R-free 0.249 |
| 7T0T Crystal structure of the BCL6 BTB domain in complex with OICR-10562 Deposited 2021-11-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Chain B
5–129（125 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 E1I N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 4.8；293 K；2.25M NaCl precipitant pH 4.8 Acetate as buffer with 10% glycerol, 10% DMSO and 0.2M LiSO4 in microbatch.
|
Resolution 2.00 Å R-free 0.219 |
| 7T0T Crystal structure of the BCL6 BTB domain in complex with OICR-10562 Deposited 2021-11-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
5–129（125 aa）
Chain D
5–129（125 aa）
|
Not recorded | E1I N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 4.8；293 K；2.25M NaCl precipitant pH 4.8 Acetate as buffer with 10% glycerol, 10% DMSO and 0.2M LiSO4 in microbatch.
|
Resolution 2.00 Å R-free 0.219 |
| 7T0T Crystal structure of the BCL6 BTB domain in complex with OICR-10562 Deposited 2021-11-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain E
5–129（125 aa）
Chain F
5–129（125 aa）
|
Not recorded | DMS DIMETHYL SULFOXIDE × 1 E1I N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
MICROBATCH；pH 4.8；293 K；2.25M NaCl precipitant pH 4.8 Acetate as buffer with 10% glycerol, 10% DMSO and 0.2M LiSO4 in microbatch.
|
Resolution 2.00 Å R-free 0.219 |
| 7T0U Crystal structure of the BCL6 BTB domain in complex with OICR-12387 Deposited 2021-11-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
Chain B
5–129（125 aa）
|
Not recorded | SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 2 E3I 3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.3；290 K；9% PEG6K as precipitant in pH 5.3 MES buffer with 10% DMSO and 100 mM NH4SO4
|
Resolution 1.49 Å R-free 0.180 |
| 7T0U Crystal structure of the BCL6 BTB domain in complex with OICR-12387 Deposited 2021-11-30 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain C
5–129（125 aa）
Chain D
5–129（125 aa）
|
Not recorded | SO4 SULFATE ION × 1 GOL GLYCEROL × 1 CL CHLORIDE ION × 1 E3I 3-chloro-5-{7-[2-({5-chloro-2-[(2S)-2-methyl-4-(oxetan-3-yl)piperazin-1-yl]pyridin-4-yl}amino)-2-oxoethyl]-3-methyl-4-oxo-2-(trifluoromethyl)-4,7-dihydro-3H-pyrrolo[2,3-d]pyrimidin-5-yl}-2-hydroxybenzamide × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 5.3；290 K；9% PEG6K as precipitant in pH 5.3 MES buffer with 10% DMSO and 100 mM NH4SO4
|
Resolution 1.49 Å R-free 0.180 |
| 7ZWN Crystal structure of human BCL6 BTB domain in complex with a WVIP peptide Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 6 PDB declaration: hexameric |
Chain A
5–129（125 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 2.05 Å R-free 0.213 |
| 7ZWO Crystal structure of human BCL6 BTB domain in complex with compound 2 Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | KCB (5~{S},7~{R})-5-(4-chlorophenyl)-7-(2,3,4-trimethoxyphenyl)-4,5,6,7-tetrahydro-[1,2,4]triazolo[1,5-a]pyrimidine × 2 EDO 1,2-ETHANEDIOL × 10 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.39 Å R-free 0.183 |
| 7ZWP Crystal structure of human BCL6 BTB domain in complex with compound 7 Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | K4C ethyl 5-propyl-7-pyridin-4-yl-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxylate × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.85 Å R-free 0.227 |
| 7ZWR Crystal structure of human BCL6 BTB domain in complex with compound 11 Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | K4X 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid × 2 EDO 1,2-ETHANEDIOL × 16 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.47 Å R-free 0.190 |
| 7ZWS Crystal structure of human BCL6 BTB domain in complex with compound 13 Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | K5I 2-[3-cyano-6-thiophen-2-yl-4-(trifluoromethyl)pyridin-2-yl]sulfanyl-2-phenyl-ethanoic acid × 2 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.53 Å R-free 0.178 |
| 7ZWT Crystal structure of human BCL6 BTB domain in complex with compound 14 Deposited 2022-05-19 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | K5U 2-[(2-chlorophenyl)amino]-~{N}-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide × 2 CL CHLORIDE ION × 2 EDO 1,2-ETHANEDIOL × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.94 Å R-free 0.251 |
| 7ZWU Crystal structure of human BCL6 BTB domain in complex with compound 15 Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | K8R ~{N}-(3-morpholin-4-ylpropyl)-2-(naphthalen-1-ylamino)-1,3-thiazole-4-carboxamide × 2 EDO 1,2-ETHANEDIOL × 14 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.56 Å R-free 0.177 |
| 7ZWV Crystal structure of human BCL6 BTB domain in complex with compound 17 Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | KA9 1,3-dimethyl-5-[[6-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]benzimidazol-2-one × 2 EDO 1,2-ETHANEDIOL × 18 GOL GLYCEROL × 4 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.52 Å R-free 0.170 |
| 7ZWW Crystal structure of human BCL6 BTB domain in complex with compound 18 Deposited 2022-05-19 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | K69 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.67 Å R-free 0.215 |
| 7ZWX Crystal structure of human BCL6 BTB domain in complex with compound 19 Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | KA0 6-[1,3-benzodioxol-5-ylmethyl(methyl)amino]-1-~{tert}-butyl-5~{H}-pyrazolo[3,4-d]pyrimidin-4-one × 2 EDO 1,2-ETHANEDIOL × 8 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.38 Å R-free 0.189 |
| 7ZWY Crystal structure of human BCL6 BTB domain in complex with compound 21 Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | K6R 2-chloranyl-4-[(phenylmethyl)amino]pyridine-3-carbonitrile × 2 EDO 1,2-ETHANEDIOL × 2 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.65 Å R-free 0.184 |
| 7ZWZ Crystal structure of human BCL6 BTB domain in complex with compound 22 Deposited 2022-05-19 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
|
Not recorded | K6I ~{N}-(2-fluorophenyl)-2-[3-(3-methylbutyl)-4-oxidanylidene-pteridin-2-yl]sulfanyl-ethanamide × 2 EDO 1,2-ETHANEDIOL × 8 DMS DIMETHYL SULFOXIDE × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；291 K；2 microliter of the BCL6-BTB/WVIP complex at 4 mg/mL plus 1 microliter of a crystallisation solution consisting of 1 M K2HPO4, 0.7 M NaH2PO4, 75 mM sodium acetate buffer pH 4.5 and 2 % DMSO, against 350 microliter of crystallisation solution.
|
Resolution 1.40 Å R-free 0.175 |
| 8AS9 Crystal structure of the talin-KANK1 complex Deposited 2022-08-18 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Insufficient information Heteromer；Protein × 12 PDB declaration: dodecameric |
Chain A
6–129（124 aa）
Chain B
6–129（124 aa）
|
Not recorded | SO4 SULFATE ION × 12 GOL GLYCEROL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；1M Ammonium sulfate, 0.1M CHES 9.5, 0.2M Sodium chloride, 6 % (v/v) Glycerol
|
Resolution 3.40 Å R-free 0.285 |
| 8C78 Crystal structure of human BCL6 BTB domain in complex with compound CCT374705 Deposited 2023-01-13 | Different ligand/ion Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain A
5–129（125 aa）
|
Not recorded | TWI (2~{S})-10-[(3-chloranyl-2-fluoranyl-pyridin-4-yl)amino]-2-cyclopropyl-3,3-bis(fluoranyl)-7-methyl-2,4-dihydro-1~{H}-[1,4]oxazepino[2,3-c]quinolin-6-one × 2 EDO 1,2-ETHANEDIOL × 8 CL CHLORIDE ION × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；291 K；1.5 microliter of BCL6-BTB at 10 mg/mL plus 1.5 microliter of a crystallisation solution consisting of 0.1 M Tris pH 7.5 and 0.80 M Na/K Tartrate, against 300 microliter of crystallisation solution.
|
Resolution 1.80 Å R-free 0.232 |
| 9MZA Chemically Hijacked BCL6-TCIP3-p300 Complex Deposited 2025-01-22 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 4 PDB declaration: tetrameric |
Chain A
5–129（125 aa）
Chain C
5–129（125 aa）
|
Not recorded | A1BUC 1-{1-[5-({1-[5-chloro-4-({8-methoxy-1-methyl-3-[2-(methylamino)-2-oxoethoxy]-2-oxo-1,2-dihydroquinolin-6-yl}amino)pyrimidin-2-yl]piperidine-4-carbonyl}amino)pentanoyl]piperidin-4-yl}-3-[(6M)-7-(difluoromethyl)-6-(1-methyl-1H-pyrazol-4-yl)-3,4-dihydroquinolin-1(2H)-yl]-N-methyl-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；289 K；0.15 M DL-Malic acid pH 7.0, PEG 3,350 20%
|
Resolution 2.10 Å R-free 0.277 |
| 9Q03 Cryo-EM structure of ternary complex BCL6-CRBN-DDB1 with BCL6-760 (LDD, local refined) Deposited 2025-08-12 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
5–129（125 aa）
Chain B
5–129（125 aa）
|
Not recorded | ZN ZINC ION × 1 A1CM7 (3R)-3-(6-{4-[(5-chloro-4-{[3-(3-hydroxy-3-methylbutyl)-1-methyl-2-oxo-2,3-dihydro-1H-1,3-benzimidazol-5-yl]amino}pyrimidin-2-yl)(methyl)amino]piperidin-1-yl}-1-methyl-1H-indazol-3-yl)piperidine-2,6-dione × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.15 Å |
| 9YA9 Cryo-EM structure of ternary complex BCL6-CRBN-DDB1 with BMS-986458 (local refined), a potent and selective BCL6 ligand directed degrader (LDD) Deposited 2025-09-15 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric |
Chain A
5–129（125 aa）
Chain B
5–129（125 aa）
|
Not recorded | A1CTU (3R)-3-(6-{[(3R,4R)-1-{5-chloro-4-[(1-methyl-2-oxo-2,3-dihydro-1H-indol-5-yl)amino]pyrimidin-2-yl}-3-methylpiperidin-4-yl]amino}-1-methyl-1H-indazol-3-yl)piperidine-2,6-dione × 1 ZN ZINC ION × 1 |
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.09 Å |
245 other PDB entries and 265 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | BCL6_HUMAN |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 20–144； UniProt 5–129 |
