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Ensemble refinement model

PDB 3OXI|dpdb_x2s9esoq

Ensemble refinement model

Design and Synthesis of Disubstituted Thiophene and Thiazole Based Inhibitors of JNK for the Treatment of Neurodegenerative Diseases

Program
PHENIX phenix.ensemble_refinement
Model type
Ensemble
Purpose
Refinement
Atoms
186,028
Residues
332
Protein chains
2
Alternate-location fraction
0%
Ligand
SYY

Evaluations

R-work
0.184
R-free
0.233
Clashscore
—

Macromolecules

The same in every model of this entry.

Entity 1
MoleculeChainsLengthOrganismUniProtDetails
Mitogen-activated protein kinase 10362
  • ConstructUNP residues 40 to 401
Entity 2
MoleculeChainsLengthOrganismUniProtDetails
Mitogen-activated protein kinase 8 interacting protein 110
  • ConstructUNP residues 158 to 167

Data

L0 Raw
L1 Processed
L2 Models
L3 Evaluations