[English] 日本語
![](img/lk-miru.gif)
- PDB-5is5: Discovery and Pharmacological Characterization of Novel Quinazoli... -
+
Open data
-
Basic information
Entry | Database: PDB / ID: 5is5 | ||||||
---|---|---|---|---|---|---|---|
Title | Discovery and Pharmacological Characterization of Novel Quinazoline-based PI3K delta-selective Inhibitors | ||||||
![]() | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit delta isoform | ||||||
![]() | TRANSFERASE / Phosphoinositide 3-Kinase / isoform-sepcific inhibitors | ||||||
Function / homology | ![]() Erythropoietin activates Phosphoinositide-3-kinase (PI3K) / Interleukin receptor SHC signaling / Synthesis of PIPs at the plasma membrane / PIP3 activates AKT signaling / Antigen activates B Cell Receptor (BCR) leading to generation of second messengers / Regulation of signaling by CBL / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / Interleukin-3, Interleukin-5 and GM-CSF signaling / RET signaling / phosphatidylinositol 3-kinase complex ...Erythropoietin activates Phosphoinositide-3-kinase (PI3K) / Interleukin receptor SHC signaling / Synthesis of PIPs at the plasma membrane / PIP3 activates AKT signaling / Antigen activates B Cell Receptor (BCR) leading to generation of second messengers / Regulation of signaling by CBL / PI5P, PP2A and IER3 Regulate PI3K/AKT Signaling / Interleukin-3, Interleukin-5 and GM-CSF signaling / RET signaling / phosphatidylinositol 3-kinase complex / 1-phosphatidylinositol-4-phosphate 3-kinase activity / 1-phosphatidylinositol-4,5-bisphosphate 3-kinase activity / phosphatidylinositol-4,5-bisphosphate 3-kinase / phosphatidylinositol 3-kinase / phosphatidylinositol-3-phosphate biosynthetic process / 1-phosphatidylinositol-3-kinase activity / B cell activation / phosphatidylinositol-mediated signaling / B cell homeostasis / homeostasis of number of cells / defense response to fungus / phosphatidylinositol 3-kinase/protein kinase B signal transduction / positive regulation of angiogenesis / chemotaxis / cell migration / kinase activity / adaptive immune response / cell surface receptor signaling pathway / cell differentiation / inflammatory response / phosphorylation / negative regulation of gene expression / innate immune response / positive regulation of gene expression / ATP binding / plasma membrane / cytoplasm / cytosol Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Gutmann, S. / Rummel, G. / Shrestha, B. | ||||||
![]() | ![]() Title: Discovery and Pharmacological Characterization of Novel Quinazoline-Based PI3K Delta-Selective Inhibitors. Authors: Hoegenauer, K. / Soldermann, N. / Stauffer, F. / Furet, P. / Graveleau, N. / Smith, A.B. / Hebach, C. / Hollingworth, G.J. / Lewis, I. / Gutmann, S. / Rummel, G. / Knapp, M. / Wolf, R.M. / ...Authors: Hoegenauer, K. / Soldermann, N. / Stauffer, F. / Furet, P. / Graveleau, N. / Smith, A.B. / Hebach, C. / Hollingworth, G.J. / Lewis, I. / Gutmann, S. / Rummel, G. / Knapp, M. / Wolf, R.M. / Blanz, J. / Feifel, R. / Burkhart, C. / Zecri, F. | ||||||
History |
|
-
Structure visualization
Structure viewer | Molecule: ![]() ![]() |
---|
-
Downloads & links
-
Download
PDBx/mmCIF format | ![]() | 313.2 KB | Display | ![]() |
---|---|---|---|---|
PDB format | ![]() | 245.8 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 718.9 KB | Display | ![]() |
---|---|---|---|---|
Full document | ![]() | 722.4 KB | Display | |
Data in XML | ![]() | 29.5 KB | Display | |
Data in CIF | ![]() | 43 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Related structure data | ![]() 5itdC ![]() 2xwf S: Starting model for refinement C: citing same article ( |
---|---|
Similar structure data |
-
Links
-
Assembly
Deposited unit | ![]()
| ||||||||
---|---|---|---|---|---|---|---|---|---|
1 |
| ||||||||
Unit cell |
|
-
Components
#1: Protein | Mass: 119999.461 Da / Num. of mol.: 1 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() References: UniProt: Q3UDT3, UniProt: O35904*PLUS, phosphatidylinositol-4,5-bisphosphate 3-kinase |
---|---|
#2: Chemical | ChemComp-6CY / |
#3: Water | ChemComp-HOH / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
---|
-
Sample preparation
Crystal | Density Matthews: 2.15 Å3/Da / Density % sol: 42.86 % |
---|---|
Crystal grow | Temperature: 290 K / Method: vapor diffusion, sitting drop Details: 13 mM NaNO4, 13 mM ammonium sulfate, 13 mM Na2HPO4, 16.4 (v/v) % glycerol, 13 % (w/v) PEG4000, 0.1M imidazole pH6.8 |
-Data collection
Diffraction | Mean temperature: 100 K |
---|---|
Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: DECTRIS PILATUS3 6M / Detector: PIXEL / Date: Oct 11, 2010 |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.85→68.87 Å / Num. obs: 23618 / % possible obs: 97.7 % / Redundancy: 3.29 % / Rmerge(I) obs: 0.2294 / Rsym value: 0.101 / Net I/σ(I): 11.74 |
Reflection shell | Resolution: 2.61→2.68 Å |
-
Processing
Software |
| ||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Refinement | Method to determine structure: ![]() Starting model: 2xwf ![]() 2xwf Resolution: 2.85→65.95 Å / Cross valid method: FREE R-VALUE
| ||||||||||||||||
Refinement step | Cycle: LAST / Resolution: 2.85→65.95 Å
|