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- PDB-1oir: Imidazopyridines: a potent and selective class of Cyclin-dependen... -
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Open data
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Basic information
Entry | Database: PDB / ID: 1oir | ||||||
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Title | Imidazopyridines: a potent and selective class of Cyclin-dependent Kinase inhibitors identified through Structure-based hybridisation | ||||||
![]() | CELL DIVISION PROTEIN KINASE 2![]() | ||||||
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Function / homology | ![]() cyclin A1-CDK2 complex / cyclin E2-CDK2 complex / cyclin E1-CDK2 complex / cyclin A2-CDK2 complex / positive regulation of DNA-templated DNA replication initiation / ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() ![]() Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Beattie, J.F. / Breault, G.A. / Byth, K.F. / Culshaw, J.D. / Ellston, R.P.A. / Green, S. / Minshull, C.A. / Norman, R.A. / Pauptit, R.A. / Thomas, A.P. / Jewsbury, P.J. | ||||||
![]() | ![]() Title: Imidazo[1,2-A]Pyridines: A Potent and Selective Class of Cyclin-Dependent Kinase Inhibitors Identified Through Structure-Based Hybridisation Authors: Anderson, M. / Beattie, J.F. / Breault, G.A. / Breed, J. / Byth, K.F. / Culshaw, J.D. / Ellston, R.P.A. / Green, S. / Minshull, C.A. / Norman, R.A. / Pauptit, R.A. / Stanway, J. / Thomas, A.P. / Jewsbury, P.J. #1: ![]() Title: High-Resolution Crystal Structures of Human Cyclin-Dependent Kinase 2 with and without ATP: Bound Waters and Natural Ligand as a Guide for Inhibitor Design Authors: Schulze-Gahmen, U. / De Bondt, H. / Kim, S.-H. | ||||||
History |
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Remark 700 | SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN ... SHEET THE SHEET STRUCTURE OF THIS MOLECULE IS BIFURCATED. IN ORDER TO REPRESENT THIS FEATURE IN THE SHEET RECORDS BELOW, TWO SHEETS ARE DEFINED. |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 70.2 KB | Display | ![]() |
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PDB format | ![]() | 56.2 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related structure data
Related structure data | ![]() 1oiqC ![]() 1oitC ![]() 1h0u 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: 34045.531 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() ![]() |
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#2: Chemical | ChemComp-HDY / |
#3: Water | ChemComp-HOH / ![]() |
Compound details | FUNCTION: PROBABLY INVOLVED IN THE CONTROL OF THE CELL CYCLE. INTERACTS WITH CYCLINS A, D, OR E. ...FUNCTION: PROBABLY INVOLVED IN THE CONTROL OF THE CELL CYCLE. INTERACTS WITH CYCLINS A, D, OR E. ACTIVITY OF CDK2 IS MAXIMAL DURING S PHASE AND G2. |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.24 Å3/Da / Density % sol: 40 % | |||||||||||||||||||||||||||||||||||||||||||||||||
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Crystal grow![]() | pH: 7 Details: PROTEIN AT 10MG/ML WELL BUFFER CONTAINING 17.5% PEG3350, 200MM HEPES, PH7.0, 100MM AMMONIUM ACETATE, pH 7.00 | |||||||||||||||||||||||||||||||||||||||||||||||||
Crystal grow | *PLUS Temperature: 20 ℃ / pH: 7.4 / Method: vapor diffusion, sitting drop / Details: Lawrie, A.M., (1997) Nature Struct. Biol., 4, 796. | |||||||||||||||||||||||||||||||||||||||||||||||||
Components of the solutions | *PLUS
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Jul 15, 1998 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength![]() |
Reflection | Resolution: 1.91→43.03 Å / Num. obs: 20394 / % possible obs: 84.8 % / Redundancy: 2.2 % / Rmerge(I) obs: 0.066 / Net I/σ(I): 21.7 |
Reflection shell | Resolution: 1.9→2.01 Å / Redundancy: 2 % / Rmerge(I) obs: 0.137 / Mean I/σ(I) obs: 10.3 / % possible all: 73.3 |
Reflection | *PLUS Highest resolution: 1.91 Å / Num. measured all: 95201 / Rmerge(I) obs: 0.052 |
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Processing
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Refinement | Method to determine structure![]() ![]()
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Displacement parameters | Biso mean: 16.54 Å2
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Refinement step | Cycle: LAST / Resolution: 1.91→43.03 Å
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Refinement | *PLUS % reflection Rfree: 5 % / Rfactor Rfree![]() ![]() | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS |