Crystal structures of human MEK1 with carboxamide-based allosteric inhibitor XL518 (GDC-0973), or related analogs.

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Nuclear Juicer

Created on Mon, 2022-06-27 12:40, last updated on Mon, 2022-06-27 13:35

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General Information

This Model was autogenerated from the "Quick Submit" tool.

Model ID 

3DPX-017297

Category 

Proteins, Macromolecules and Viruses

Keyword(s) 

TRANSFERASE, MAP2K1, ATP-binding, ALLOSTERIC INHIBITION

Protein Data Bank ID 

4ANB

Experimental Method 

X-RAY DIFFRACTION

Resolution 

2.20

Model Details

Associated Species 

SPODOPTERA FRUGIPERDA

Oligomeric Details 

monomeric

R-Factor 

0.22982

Scattering Type 

x-ray

Attribution

PubMed ID 

24 900 486

Digital Object Identifier (DOI) 

10.1021/ML300049D

Citation Title 

Novel Carboxamide-Based Allosteric Mek Inhibitors: Discovery and Optimization Efforts Toward Xl518 (Gdc-0973)

Journal 

Acs Med.Chem.Lett.

Citation Year 

2012

STL/VRML Files

 

PDB-4ANB-ribbon-secondary.wrl

PDB-4ANB-ribbon-rainbow.wrl

PDB-4ANB-ribbon-bychain.wrl

PDB-4ANB-ribbon.stl

PDB-4ANB-surf-bychain.wrl

PDB-4ANB-surf-hydropathy.wrl

PDB-4ANB-surf-coulombic.wrl

PDB-4ANB-surf.stl

PDB-4ANB.zip

X3D Files

 

PDB-4ANB-ribbon-secondary.x3d

PDB-4ANB-ribbon-rainbow.x3d

PDB-4ANB-ribbon-bychain.x3d

PDB-4ANB-ribbon.x3d

PDB-4ANB-surf-bychain.x3d

PDB-4ANB-surf-hydropathy.x3d

PDB-4ANB-surf-coulombic.x3d

PDB-4ANB-surf.x3d

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