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- PDB-1biw: DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS -
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Open data
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Basic information
Entry | Database: PDB / ID: 1biw | ||||||
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Title | DESIGN AND SYNTHESIS OF CONFORMATIONALLY-CONSTRAINED MMP INHIBITORS | ||||||
![]() | PROTEIN (STROMELYSIN-1 COMPLEX) | ||||||
![]() | HYDROLASE / STROMELYSIN / MATRIX METALLOPROTEASE / OSTEOARTHRITIS / STRUCTURE-BASED DRUG DESIGN / PROTEIN CRYSTAL STRUCTURE | ||||||
Function / homology | ![]() stromelysin 1 / cellular response to UV-A / regulation of neuroinflammatory response / Assembly of collagen fibrils and other multimeric structures / Activation of Matrix Metalloproteinases / response to amyloid-beta / Collagen degradation / collagen catabolic process / extracellular matrix disassembly / cellular response to nitric oxide ...stromelysin 1 / cellular response to UV-A / regulation of neuroinflammatory response / Assembly of collagen fibrils and other multimeric structures / Activation of Matrix Metalloproteinases / response to amyloid-beta / Collagen degradation / collagen catabolic process / extracellular matrix disassembly / cellular response to nitric oxide / negative regulation of reactive oxygen species metabolic process / negative regulation of phosphatidylinositol 3-kinase/protein kinase B signal transduction / regulation of cell migration / EGFR Transactivation by Gastrin / Degradation of the extracellular matrix / extracellular matrix organization / extracellular matrix / cellular response to amino acid stimulus / protein catabolic process / positive regulation of protein-containing complex assembly / metalloendopeptidase activity / cellular response to reactive oxygen species / metallopeptidase activity / peptidase activity / cellular response to lipopolysaccharide / Interleukin-4 and Interleukin-13 signaling / endopeptidase activity / Extra-nuclear estrogen signaling / serine-type endopeptidase activity / innate immune response / mitochondrion / proteolysis / extracellular space / zinc ion binding / extracellular region / nucleus / cytosol Similarity search - Function | ||||||
Biological species | ![]() | ||||||
Method | ![]() | ||||||
![]() | Natchus, M.G. / Cheng, M. / Wahl, C.T. / Pikul, S. / Almstead, N.G. / Bradley, R.S. / Taiwo, Y.O. / Mieling, G.E. / Dunaway, C.M. / Snider, C.E. ...Natchus, M.G. / Cheng, M. / Wahl, C.T. / Pikul, S. / Almstead, N.G. / Bradley, R.S. / Taiwo, Y.O. / Mieling, G.E. / Dunaway, C.M. / Snider, C.E. / McIver, J.M. / Barnett, B.L. / McPhail, S.J. / Anastasio, M.B. / De, B. | ||||||
![]() | ![]() Title: Design and synthesis of conformationally-constrained MMP inhibitors. Authors: Natchus, M.G. / Cheng, M. / Wahl, C.T. / Pikul, S. / Almstead, N.G. / Bradley, R.S. / Taiwo, Y.O. / Mieling, G.E. / Dunaway, C.M. / Snider, C.E. / McIver, J.M. / Barnett, B.L. / McPhail, S.J. ...Authors: Natchus, M.G. / Cheng, M. / Wahl, C.T. / Pikul, S. / Almstead, N.G. / Bradley, R.S. / Taiwo, Y.O. / Mieling, G.E. / Dunaway, C.M. / Snider, C.E. / McIver, J.M. / Barnett, B.L. / McPhail, S.J. / Anastasio, M.B. / De, B. | ||||||
History |
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Structure visualization
Structure viewer | Molecule: ![]() ![]() |
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Downloads & links
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Download
PDBx/mmCIF format | ![]() | 85 KB | Display | ![]() |
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PDB format | ![]() | 63.1 KB | Display | ![]() |
PDBx/mmJSON format | ![]() | Tree view | ![]() | |
Others | ![]() |
-Validation report
Summary document | ![]() | 479.9 KB | Display | ![]() |
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Full document | ![]() | 494.8 KB | Display | |
Data in XML | ![]() | 10.5 KB | Display | |
Data in CIF | ![]() | 15.4 KB | Display | |
Arichive directory | ![]() ![]() | HTTPS FTP |
-Related structure data
Similar structure data |
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Links
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Assembly
Deposited unit | ![]()
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1 |
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Unit cell |
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Components
#1: Protein | Mass: 19416.529 Da / Num. of mol.: 2 Source method: isolated from a genetically manipulated source Details: COMPLEXED TO PGV-25680 / Source: (gene. exp.) ![]() ![]() ![]() #2: Chemical | ChemComp-ZN / #3: Chemical | ChemComp-CA / #4: Chemical | ChemComp-S80 / | #5: Water | ChemComp-HOH / | |
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-Experimental details
-Experiment
Experiment | Method: ![]() |
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Sample preparation
Crystal | Density Matthews: 2.01 Å3/Da / Density % sol: 38.95 % |
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Crystal grow | pH: 7.5 Details: 10 MG/ML PROTEIN IN 20-24% PEG 8000, 2.5% 2-PROPANOL, 10MM CACL2 AND 0.1M TRIS HCL BUFFER, PH 7.5-8.0 |
Crystal grow | *PLUS Method: unknown |
-Data collection
Diffraction | Mean temperature: 298 K |
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Diffraction source | Source: ![]() |
Detector | Type: MARRESEARCH / Detector: IMAGE PLATE / Date: Feb 1, 1997 |
Radiation | Monochromator: GRAPHITE / Protocol: SINGLE WAVELENGTH / Monochromatic (M) / Laue (L): M / Scattering type: x-ray |
Radiation wavelength | Wavelength: 1.5418 Å / Relative weight: 1 |
Reflection | Resolution: 2.5→15 Å / Num. obs: 11630 / % possible obs: 97 % / Observed criterion σ(I): 2 / Redundancy: 2.1 % / Rmerge(I) obs: 0.08 / Rsym value: 0.1 / Net I/σ(I): 11 |
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Processing
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Refinement | Resolution: 2.5→8 Å / σ(F): 2
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Refinement step | Cycle: LAST / Resolution: 2.5→8 Å
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Xplor file | Serial no: 1 / Param file: PARHCSDX.PRO | ||||||||||||||||||||
Software | *PLUS Name: ![]() | ||||||||||||||||||||
Refinement | *PLUS Highest resolution: 2.5 Å / Lowest resolution: 8 Å / σ(F): 2 / % reflection Rfree: 10 % | ||||||||||||||||||||
Solvent computation | *PLUS | ||||||||||||||||||||
Displacement parameters | *PLUS |