|
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 oligomeric state
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 oligomeric state
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 mutation/modification
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 mutation/modification
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 mutation/modification
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 mutation/modification
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 6
PDB declaration: hexameric
|
Chain 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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 oligomeric state
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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
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 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
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 mutation/modification
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 mutation/modification
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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
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 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
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 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)
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 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)
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 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)
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 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)
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 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)
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 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)
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
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 construct
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 oligomeric state
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 oligomeric state
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 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
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 oligomeric state
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
|
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
|
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 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)
|
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 mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
|
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
|
|
7BDE
HUMAN BCL6 BTB-DOMAIN IN COMPLEX WITH GSK137
Deposited 2020-12-21
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 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)
|
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
|
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 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)
|
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 oligomeric state
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 6
PDB declaration: hexameric
|
Chain 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 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)
|
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 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)
|
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
|
|
7ZWQ
Crystal structure of human BCL6 BTB domain in complex with compound 10
Deposited 2022-05-19
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
5–129(125 aa)
|
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
|
|
7ZWR
Crystal structure of human BCL6 BTB domain in complex with compound 11
Deposited 2022-05-19
|
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)
|
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 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)
|
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
|
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 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)
|
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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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 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)
|
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 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)
|
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 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)
|
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 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 construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
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
|