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Open data
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Basic information
Entry | Database: PDB / ID: 6qtg | ||||||
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Title | Crystal structure of human CDK8/CYCC in complex with BI-1347 | ||||||
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Function / homology | ![]() CKM complex / G0 to G1 transition / negative regulation of triglyceride metabolic process / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Boettcher, J. | ||||||
![]() | ![]() Title: Selective and Potent CDK8/19 Inhibitors Enhance NK-Cell Activity and Promote Tumor Surveillance. Authors: Hofmann, M.H. / Mani, R. / Engelhardt, H. / Impagnatiello, M.A. / Carotta, S. / Kerenyi, M. / Lorenzo-Herrero, S. / Bottcher, J. / Scharn, D. / Arnhof, H. / Zoephel, A. / Schnitzer, R. / ...Authors: Hofmann, M.H. / Mani, R. / Engelhardt, H. / Impagnatiello, M.A. / Carotta, S. / Kerenyi, M. / Lorenzo-Herrero, S. / Bottcher, J. / Scharn, D. / Arnhof, H. / Zoephel, A. / Schnitzer, R. / Gerstberger, T. / Sanderson, M.P. / Rajgolikar, G. / Goswami, S. / Vasu, S. / Ettmayer, P. / Gonzalez, S. / Pearson, M. / McConnell, D.B. / Kraut, N. / Muthusamy, N. / Moll, J. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 264.1 KB | Display | ![]() |
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PDB format | ![]() | 211.3 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 6qtjC ![]() 6r3sC ![]() 3rgfS S: Starting model for refinement C: citing same article ( |
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Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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Unit cell |
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Components
#1: Protein | ![]() Mass: 46890.664 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: P49336, ![]() |
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#2: Protein | Mass: 33423.824 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
#3: Chemical | ChemComp-JH8 / |
#4: Water | ChemComp-HOH / ![]() |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.69 Å3/Da / Density % sol: 54.33 % |
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Crystal grow![]() | Temperature: 278 K / Method: vapor diffusion, sitting drop Details: 32-38% Morpheus Precipitant Mix 4 10 mmol/L Morpheus Buffer System 1 100 mM Morpheus Amino Acids Mix 2% DMSO PH range: 6-7 |
-Data collection
Diffraction | Mean temperature: 100 K / Serial crystal experiment: N |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS EIGER X 16M / Detector: PIXEL / Date: Aug 4, 2016 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 2.702→84.2 Å / Num. obs: 24333 / % possible obs: 99.3 % / Redundancy: 10 % / Biso Wilson estimate: 69.6 Å2 / Net I/σ(I): 12.5 |
Reflection shell | Resolution: 2.702→2.749 Å |
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Processing
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Refinement | Method to determine structure![]() ![]() Starting model: 3RGF Resolution: 2.7→37.6 Å / Cor.coef. Fo:Fc: 0.922 / Cor.coef. Fo:Fc free: 0.899 / SU R Cruickshank DPI: 0.64 / Cross valid method: THROUGHOUT / σ(F): 0 / SU R Blow DPI: 0.73 / SU Rfree Blow DPI: 0.288 / SU Rfree Cruickshank DPI: 0.287
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Displacement parameters | Biso mean: 56.98 Å2
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Refine analyze | Luzzati coordinate error obs: 0.36 Å | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.7→37.6 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.7→2.72 Å / Total num. of bins used: 50
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Refinement TLS params. | Method: refined / Refine-ID: X-RAY DIFFRACTION
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Refinement TLS group |
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