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Open data
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Basic information
Entry | Database: PDB / ID: 2uzw | ||||||
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Title | PKA structures of indazole-pyridine series of AKT inhibitors | ||||||
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![]() | TRANSFERASE / CAMP / KINASE / MYRISTATE / LIPOPROTEIN / SERINE/THREONINE-PROTEIN KINASE / PHOSPHORYLATION / PROTEIN KINASE A / NUCLEOTIDE-BINDING / ATP-BINDING / AKT INHIBITORS / NUCLEAR PROTEIN | ||||||
Function / homology | ![]() CD209 (DC-SIGN) signaling / HDL assembly / Regulation of insulin secretion / Rap1 signalling / Ion homeostasis / PKA activation in glucagon signalling / DARPP-32 events / CREB1 phosphorylation through the activation of Adenylate Cyclase / GPER1 signaling / Factors involved in megakaryocyte development and platelet production ...CD209 (DC-SIGN) signaling / HDL assembly / Regulation of insulin secretion / Rap1 signalling / Ion homeostasis / PKA activation in glucagon signalling / DARPP-32 events / CREB1 phosphorylation through the activation of Adenylate Cyclase / GPER1 signaling / Factors involved in megakaryocyte development and platelet production / Loss of Nlp from mitotic centrosomes / Recruitment of mitotic centrosome proteins and complexes / Loss of proteins required for interphase microtubule organization from the centrosome / Anchoring of the basal body to the plasma membrane / AURKA Activation by TPX2 / RET signaling / Interleukin-3, Interleukin-5 and GM-CSF signaling / Recruitment of NuMA to mitotic centrosomes / VEGFA-VEGFR2 Pathway / PKA activation / GLI3 is processed to GLI3R by the proteasome / MAPK6/MAPK4 signaling / Regulation of PLK1 Activity at G2/M Transition / Hedgehog 'off' state / cAMP-dependent protein kinase inhibitor activity / cAMP-dependent protein kinase / cAMP-dependent protein kinase activity / cAMP-dependent protein kinase complex / AMP-activated protein kinase activity / Glucagon-like Peptide-1 (GLP1) regulates insulin secretion / Vasopressin regulates renal water homeostasis via Aquaporins / Mitochondrial protein degradation / protein kinase A regulatory subunit binding / mesoderm formation / sperm flagellum / negative regulation of TORC1 signaling / protein kinase A signaling / acrosomal vesicle / neuromuscular junction / cellular response to heat / peptidyl-serine phosphorylation / protein kinase activity / protein domain specific binding / protein phosphorylation / protein serine kinase activity / protein serine/threonine kinase activity / perinuclear region of cytoplasm / mitochondrion / ATP binding / nucleus / plasma membrane / cytosol / cytoplasm Similarity search - Function | ||||||
Biological species | ![]() ![]() | ||||||
Method | ![]() ![]() ![]() | ||||||
![]() | Zhu, G.D. / Gandhi, V.B. / Gong, J. / Thomas, S. / Woods, K.W. / Song, X. / Li, T. / Diebold, R.B. / Luo, Y. / Liu, X. ...Zhu, G.D. / Gandhi, V.B. / Gong, J. / Thomas, S. / Woods, K.W. / Song, X. / Li, T. / Diebold, R.B. / Luo, Y. / Liu, X. / Guan, R. / Klinghofer, V. / Johnson, E.F. / Bouska, J. / Olson, A. / Marsh, K.C. / Stoll, V.S. / Mamo, M. / Polakowski, J. / Campbell, T.J. / Penning, T.D. / Li, Q. / Rosenberg, S.H. / Giranda, V.L. | ||||||
![]() | ![]() Title: Syntheses of Potent, Selective, and Orally Bioavailable Indazole-Pyridine Series of Protein Kinase B/Akt Inhibitors with Reduced Hypotension. Authors: Zhu, G.D. / Gandhi, V.B. / Gong, J. / Thomas, S. / Woods, K.W. / Song, X. / Li, T. / Diebold, R.B. / Luo, Y. / Liu, X. / Guan, R. / Klinghofer, V. / Johnson, E.F. / Bouska, J. / Olson, A. / ...Authors: Zhu, G.D. / Gandhi, V.B. / Gong, J. / Thomas, S. / Woods, K.W. / Song, X. / Li, T. / Diebold, R.B. / Luo, Y. / Liu, X. / Guan, R. / Klinghofer, V. / Johnson, E.F. / Bouska, J. / Olson, A. / Marsh, K.C. / Stoll, V.S. / Mamo, M. / Polakowski, J. / Campbell, T.J. / Martin, R.L. / Gintant, G.A. / Penning, T.D. / Li, Q. / Rosenberg, S.H. / Giranda, V.L. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 86.3 KB | Display | ![]() |
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PDB format | ![]() | 65.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Arichive directory | ![]() ![]() | HTTPS FTP |
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-Related 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: 39216.059 Da / Num. of mol.: 1 / Fragment: RESIDUES 15-350 Source method: isolated from a genetically manipulated source Source: (gene. exp.) ![]() ![]() ![]() ![]() |
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#2: Protein/peptide | Mass: 2226.411 Da / Num. of mol.: 1 / Fragment: RESIDUES 5-24 / Source method: obtained synthetically / Source: (synth.) ![]() ![]() |
#3: Chemical | ChemComp-SS4 / |
-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.64 Å3/Da / Density % sol: 53.49 % |
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-Data collection
Diffraction | Mean temperature: 100 K |
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Diffraction source | Source: ![]() ![]() ![]() |
Detector | Type: ADSC CCD / Detector: CCD |
Radiation | Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1 Å / Relative weight: 1 |
Reflection | Resolution: 2.2→50 Å / Num. obs: 22880 / % possible obs: 98.7 % / Observed criterion σ(I): 2 / Redundancy: 4 % / Biso Wilson estimate: 19.6 Å2 / Rmerge(I) obs: 0.1 / Net I/σ(I): 8 |
Reflection shell | Resolution: 2.2→2.28 Å / Redundancy: 4 % / Rmerge(I) obs: 0.34 / Mean I/σ(I) obs: 5 / % possible all: 92.6 |
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Processing
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Refinement | Method to determine structure: ![]()
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Solvent computation | Solvent model: FLAT MODEL / Bsol: 33.5547 Å2 / ksol: 0.351702 e/Å3 | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
Displacement parameters | Biso mean: 38 Å2
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Refine analyze |
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Refinement step | Cycle: LAST / Resolution: 2.2→20 Å
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Refine LS restraints |
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LS refinement shell | Resolution: 2.2→2.34 Å / Rfactor Rfree error: 0.023 / Total num. of bins used: 6
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Xplor file |
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