|
3RGF
Crystal Structure of human CDK8/CycC
Deposited 2011-04-08
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
BAX 4-{4-[({[4-CHLORO-3-(TRIFLUOROMETHYL)PHENYL]AMINO}CARBONYL)AMINO]PHENOXY}-N-METHYLPYRIDINE-2-CARBOXAMIDE × 1
EDO 1,2-ETHANEDIOL × 11
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;20% PEG3350, 0.2M lithium chloride, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.20 Å
R-free 0.221
|
|
4CRL
Crystal structure of human CDK8-Cyclin C in complex with cortistatin A
Deposited 2014-02-27
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:KINASE DOMAIN, RESIDUES 1-403
|
Not recorded
|
C1I CORTISTATIN A × 1
FMT FORMIC ACID × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;20% PEG3350, 0.2M LITHIUM CHLORIDE, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K
|
Resolution 2.40 Å
R-free 0.256
|
|
4F6S
Crystal structure of human CDK8/CYCC in complex with compound 7 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea)
Deposited 2012-05-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
0SQ 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]urea × 1
EDO 1,2-ETHANEDIOL × 4
FMT FORMIC ACID × 7
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 2.60 Å
R-free 0.260
|
|
4F6U
Crystal structure of human CDK8/CYCC in complex with compound 5 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea)
Deposited 2012-05-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
0SR 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[3-(morpholin-4-yl)propyl]urea × 1
NA SODIUM ION × 1
DMS DIMETHYL SULFOXIDE × 1
EDO 1,2-ETHANEDIOL × 10
FMT FORMIC ACID × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 2.10 Å
R-free 0.198
|
|
4F6W
Crystal structure of human CDK8/CYCC in complex with compound 1 (N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide)
Deposited 2012-05-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
0SS N-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-4-[2-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)ethyl]piperazine-1-carboxamide × 1
DMS DIMETHYL SULFOXIDE × 1
EDO 1,2-ETHANEDIOL × 9
FMT FORMIC ACID × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 2.39 Å
R-free 0.234
|
|
4F70
Crystal structure of human CDK8/CYCC in complex with compound 4 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea)
Deposited 2012-05-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
0ST 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-[2-(morpholin-4-yl)ethyl]urea × 1
EDO 1,2-ETHANEDIOL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 3.00 Å
R-free 0.239
|
|
4F7J
Crystal structure of human CDK8/CYCC in complex with compound 3 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea)
Deposited 2012-05-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
0SU 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(2-hydroxyethyl)urea × 1
EDO 1,2-ETHANEDIOL × 1
FMT FORMIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 2.60 Å
R-free 0.276
|
|
4F7L
Crystal structure of human CDK8/CYCC in complex with compound 2 (tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate)
Deposited 2012-05-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
0SO tert-butyl [3-({[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]carbamoyl}amino)propyl]carbamate × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 2.90 Å
R-free 0.270
|
|
4F7N
Crystal structure of human CDK8/CYCC in complex with compound 11 (1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea)
Deposited 2012-05-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
0SV 1-[3-tert-butyl-1-(4-methylphenyl)-1H-pyrazol-5-yl]-3-(5-hydroxypentyl)urea × 1
EDO 1,2-ETHANEDIOL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 2.65 Å
R-free 0.228
|
|
4F7S
Crystal structure of human CDK8/CYCC in the DMG-in conformation
Deposited 2012-05-16
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
0SW N-(2-phenylethyl)quinazolin-4-amine × 1
EDO 1,2-ETHANEDIOL × 13
FMT FORMIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 2.20 Å
R-free 0.222
|
|
4G6L
Crystal structure of human CDK8/CYCC in the DMG-in conformation
Deposited 2012-07-19
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
FMT FORMIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 2.70 Å
R-free 0.266
|
|
5BNJ
CDK8/CYCC IN COMPLEX WITH 8-{3-Chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)-phenyl]-pyridin- 4-yl}-2,8-diaza-spiro[4.5]decan-1-one
Deposited 2015-05-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:KINASE DOMAIN, residues 3-405
|
Not recorded
|
4TV 8-{3-chloro-5-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]pyridin-4-yl}-2,8-diazaspiro[4.5]decan-1-one × 1
FMT FORMIC ACID × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 6.9;293 K;20% PEG3350, 0.2 M sodium formate, pH 6.9,
|
Resolution 2.64 Å
R-free 0.273
|
|
5CEI
Crystal structure of CDK8:Cyclin C complex with compound 22
Deposited 2015-07-06
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 8
FMT FORMIC ACID × 7
50R 4-(4-iodophenoxy)-N-methylthieno[2,3-c]pyridine-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;20% PEG 3350 and 0.20 M sodium formate
|
Resolution 2.24 Å
R-free 0.227
|
|
5FGK
CDK8-CYCC IN COMPLEX WITH 8-[3-(3-Amino-1H-indazol-6-yl)-5-chloro- pyridine-4-yl]-2,8-diaza-spiro[4.5]decan-1-one
Deposited 2015-12-20
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–362(362 aa)
Fragment:KINASE DOMAIN, RESIDUES 3-405
|
Not recorded
|
5XG 8-[3-(3-azanyl-2~{H}-indazol-6-yl)-5-chloranyl-pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one × 1
DMS DIMETHYL SULFOXIDE × 1
EDO 1,2-ETHANEDIOL × 2
FMT FORMIC ACID × 7
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 0;293 K;RESERVOIR SOLUTION : pH 6.90
|
Resolution 2.36 Å
R-free 0.237
|
|
5HBE
CDK8-CYCC IN COMPLEX WITH 8-[3-Chloro-5-(1-methyl-2,2-dioxo-2, 3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-pyridin- 4-yl]-1-oxa-3,8-diaza-spiro[4.5]decan-2-one
Deposited 2015-12-31
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–362(362 aa)
Fragment:KINASE DOMAIN, RESIDUES 1-362
|
Not recorded
|
5Y6 8-[3-chloranyl-5-[1-methyl-2,2-bis(oxidanylidene)-3~{H}-2,1-benzothiazol-5-yl]pyridin-4-yl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one × 1
DMS DIMETHYL SULFOXIDE × 1
EDO 1,2-ETHANEDIOL × 1
FMT FORMIC ACID × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293 K;RESERVOIR SOLUTION : pH 6.90
|
Resolution 2.38 Å
R-free 0.256
|
|
5HBH
CDK8-CYCC IN COMPLEX WITH 5-{5-Chloro-4-[1-(2-methoxy-ethyl)-1,8-diaza-spiro[4.5]dec-8-yl]-pyridin-3-yl}-1-methyl-1,3-dihydro-benzo[c]isothiazole 2,2-dioxide
Deposited 2015-12-31
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–362(362 aa)
Fragment:KINASE DOMAIN, RESIDUES 1-362
|
Not recorded
|
5Y7 5-[5-chloranyl-4-[1-(2-methoxyethyl)-1,8-diazaspiro[4.5]decan-8-yl]pyridin-3-yl]-1-methyl-3~{H}-2,1-benzothiazole 2,2-dioxide × 1
EDO 1,2-ETHANEDIOL × 1
FMT FORMIC ACID × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293 K;RESERVOIR SOLUTION : pH 6.90
|
Resolution 2.50 Å
R-free 0.268
|
|
5HBJ
CDK8-CYCC IN COMPLEX WITH 8-[2-Amino-3-chloro-5-(1-methyl-1H-indazol-5-yl)-pyridin-4-yl]-2,8-diaza-spiro[4.5]decan-1-one
Deposited 2015-12-31
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–362(362 aa)
Fragment:KINASE DOMAIN, RESIDUES 3-362
|
Not recorded
|
5Y8 8-[2-azanyl-3-chloranyl-5-(1-methylindazol-5-yl)pyridin-4-yl]-2,8-diazaspiro[4.5]decan-1-one × 1
EDO 1,2-ETHANEDIOL × 1
FMT FORMIC ACID × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293 K;RESERVOIR SOLUTION : pH 6.90
|
Resolution 3.00 Å
R-free 0.288
|
|
5HNB
CDK8-CYCC IN COMPLEX WITH [6-Hydroxy-3-(3-methyl-benzyl)-1H-indazol-5-yl]-((S)-3-hydroxy-pyrrolidin-1-yl)-methanone
Deposited 2016-01-18
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–362(362 aa)
Fragment:KINASE DOMAIN, RESIDUES 1-362
|
Not recorded
|
62M [6-hydroxy-3-(3-methylbenzyl)-1H-indazol-5-yl][(3S)-3-hydroxypyrrolidin-1-yl]methanone × 1
FMT FORMIC ACID × 6
EDO 1,2-ETHANEDIOL × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;20% PEG3350, 0.2M lithium chloride
|
Resolution 2.35 Å
R-free 0.252
|
|
5HVY
CDK8/CYCC IN COMPLEX WITH COMPOUND 20
Deposited 2016-01-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
Fragment:UNP residues 1-403
|
Not recorded
|
66X N-{(3S)-1-[2-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl}-N'-{4-[(morpholin-4-yl)methyl]-3-(trifluoromethyl)phenyl}urea × 1
FMT FORMIC ACID × 1
CL CHLORIDE ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;20% PEG 3350 and 0.20 M sodium formate
|
Resolution 2.39 Å
R-free 0.220
|
|
5I5Z
CDK8-CYCC IN COMPLEX WITH 8-(1-Methyl-2,2-dioxo-2,3-dihydro-1H-2l6-benzo[c]isothiazol-5-yl)-[1,6]naphthyridine-2-carboxylic acid methylamide
Deposited 2016-02-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–362(362 aa)
Fragment:KINASE DOMAIN, RESIDUES 3-405
|
Not recorded
|
68U N-methyl-8-(1-methyl-2,2-dioxo-2,3-dihydro-1H-2lambda~6~,1-benzothiazol-5-yl)-1,6-naphthyridine-2-carboxamide × 1
FMT FORMIC ACID × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293 K;20% PEG3350, 0.2 M sodium formate, pH 6.9
|
Resolution 2.60 Å
R-free 0.274
|
|
5ICP
CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(5-methyl-imidazo[5,1-b][1,3,4]thiadiazol-2-yl)-methanone
Deposited 2016-02-23
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–362(362 aa)
Fragment:KINASE DOMAIN, RESIDUES 1-362
|
Not recorded
|
69Z [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](5-methylimidazo[5,1-b][1,3,4]thiadiazol-2-yl)methanone × 1
EDO 1,2-ETHANEDIOL × 3
FMT FORMIC ACID × 9
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293 K;20% PEG3350, 0.2 M sodium formate, pH 6.9
|
Resolution 2.18 Å
R-free 0.216
|
|
5IDN
CDK8-CYCC IN COMPLEX WITH [(S)-2-(4-Chloro-phenyl)-pyrrolidin-1-yl]-(3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)-methanone
Deposited 2016-02-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–364(364 aa)
Fragment:KINASE DOMAIN, RESIDUES 3-405
|
Not recorded
|
6A7 [(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl](3-methyl-1H-pyrazolo[3,4-b]pyridin-5-yl)methanone × 1
EDO 1,2-ETHANEDIOL × 1
FMT FORMIC ACID × 6
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293 K;20% PEG 3350, 0.2 M sodium formate, pH 6.9
|
Resolution 2.26 Å
R-free 0.253
|
|
5IDP
CDK8-CYCC IN COMPLEX WITH (3-Amino-1H-indazol-5-yl)-[(S)-2-(4-fluoro-phenyl)-piperidin-1-yl]-methanone
Deposited 2016-02-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–364(364 aa)
Fragment:KINASE DOMAIN, RESIDUES 3-405
|
Not recorded
|
6A6 (3-amino-1H-indazol-5-yl)[(2S)-2-(4-fluorophenyl)piperidin-1-yl]methanone × 1
FMT FORMIC ACID × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.9;293 K;20% PEG 3350, 0.2 M sodium formate, pH 6.9
|
Resolution 2.65 Å
R-free 0.272
|
|
5XQX
Human CDK8-CYCC in complex with compound 4: N-methyl-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Deposited 2017-06-07
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–371(371 aa)
Fragment:UNP residues 1-371
|
Not recorded
|
GOL GLYCEROL × 2
8CC N-methyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;0.05M MgCl, 0.1M MES pH 6.5, 10% Iso-propanol, 5% PEG4K
|
Resolution 2.30 Å
R-free 0.222
|
|
5XS2
CDK8-CYCC IN COMPLEX WITH COMPOUND 17:3-chloro-4-(4-pyridyl)-1H-pyrrole-2-carboxamide
Deposited 2017-06-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–371(371 aa)
Fragment:UNP residues 1-371
|
Not recorded
|
GOL GLYCEROL × 1
8D6 3-chloranyl-4-pyridin-4-yl-1H-pyrrole-2-carboxamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.5;293 K;0.05M MgCl, 0.1M MES
pH 6.5, 10% Iso-propanol, 5% PEG4K
|
Resolution 2.04 Å
R-free 0.225
|
|
6QTG
Crystal structure of human CDK8/CYCC in complex with BI-1347
Deposited 2019-02-25
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
|
Not recorded
|
JH8 2-[4-(4-isoquinolin-4-ylphenyl)pyrazol-1-yl]-~{N},~{N}-dimethyl-ethanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;278 K;32-38% Morpheus Precipitant Mix 4
10 mmol/L Morpheus Buffer System 1
100 mM Morpheus Amino Acids Mix 2% DMSO
|
Resolution 2.70 Å
R-free 0.231
|
|
6QTJ
Crystal structure of human CDK8/CYCC in complex with BI 919811
Deposited 2019-02-25
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
|
Not recorded
|
JHK ~{N},~{N}-dimethyl-2-[4-[4-(2,6-naphthyridin-4-yl)phenyl]pyrazol-1-yl]ethanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;278 K;32-38% Morpheus Precipitant Mix 4
10 mmol/L Morpheus Buffer System 1 100 mM Morpheus Amino Acids Mix
2% DMSO
|
Resolution 2.48 Å
R-free 0.220
|
|
6R3S
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH COMPOUND 1
Deposited 2019-03-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
|
Not recorded
|
JRE 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide × 1
EDO 1,2-ETHANEDIOL × 1
FMT FORMIC ACID × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293.15 K;20% PEG3350, 0.2 M sodium formate, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293.15K
|
Resolution 2.19 Å
R-free 0.227
|
|
6T41
CDK8/Cyclin C in complex with N-(4-chlorobenzyl)isoquinolin-4-amine
Deposited 2019-10-11
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–404(404 aa)
|
Not recorded
|
MFE ~{N}-[(4-chlorophenyl)methyl]quinazolin-4-amine × 1
EDO 1,2-ETHANEDIOL × 1
FMT FORMIC ACID × 5
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;20%(w/v) PEG-3350 and 0.2 M sodium formate
|
Resolution 2.45 Å
R-free 0.256
|
|
6TPA
CDK8/CyclinC in complex with drug ETP-50775
Deposited 2019-12-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
|
Not recorded
|
NZ8 1-[4-chloranyl-3-(trifluoromethyl)phenyl]-3-(5-oxidanylidene-6-pyridin-4-yl-pyrido[2,3-b][1,5]benzoxazepin-9-yl)urea × 1
FMT FORMIC ACID × 12
NZ5 (2~{R})-butane-1,2-diol × 4
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;298 K;20% PEG 3350, 200mM NaFormate, 3% Butanediol
|
Resolution 2.80 Å
R-free 0.264
|
|
6Y0A
CRYSTAL STRUCTURE OF CDK8-CycC IN COMPLEX WITH BI00690300
Deposited 2020-02-07
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
|
Not recorded
|
JRE 6-[5-chloranyl-4-[(1~{S})-1-oxidanylethyl]pyridin-3-yl]-3,4-dihydro-2~{H}-1,8-naphthyridine-1-carboxamide × 1
EDO 1,2-ETHANEDIOL × 1
FMT FORMIC ACID × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;298 K;20% (wt/vol) polyethylene glycol 3350 0.2 M sodium formate
|
Resolution 2.19 Å
R-free 0.227
|
|
8TQC
Structure of the human CDK8 kinase module
Deposited 2023-08-06
|
Different ligand/ion
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain A
1–464(464 aa)
|
Not recorded
|
ZN ZINC ION × 2
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.9
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.80 Å
|
|
8TQW
Structure of human transcriptional Mediator complex
Deposited 2023-08-08
|
Different oligomeric state
Different ligand/ion
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 29
PDB declaration: 29-meric
|
Chain a
1–464(464 aa)
|
Not recorded
|
ZN ZINC ION × 4
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 7.9
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 8.20 Å
|
|
9H8C
Human CDK8/Cyclin-C complex with inhibitor 2-9
Deposited 2024-10-29
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 1
GOL GLYCEROL × 2
A1IS8 4-[(3~{S})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile × 1
DMS DIMETHYL SULFOXIDE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;PEG3350, MES pH6.5, HEPES pH6.8, Sodium Formate
|
Resolution 2.57 Å
R-free 0.262
|
|
9H8S
Human CDK8/Cyclin-C complex with inhibitor 3-7
Deposited 2024-10-29
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
1–403(403 aa)
|
Not recorded
|
CL CHLORIDE ION × 1
EDO 1,2-ETHANEDIOL × 7
GOL GLYCEROL × 1
A1ITF 4-[(3~{S},5~{R})-3-[2-[(3~{R})-3-fluoranylpyrrolidin-1-yl]pyrimidin-4-yl]-5-methoxy-piperidin-1-yl]carbonyl-1~{H}-pyrrole-2-carbonitrile × 1
DMS DIMETHYL SULFOXIDE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;293 K;PEG3350, MES pH6.5, HEPES pH6.8, Sodium Formate
|
Resolution 2.16 Å
R-free 0.248
|