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2oza

Structure of p38alpha complex

Method: X-RAY DIFFRACTION Dmax: 84.1 Å Quality: REASONABLE
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1. Protein Identity and Related Structures Protein Identity & Related Structures

MAP kinase-activated protein kinase 2

Homo sapiens

UniProt P49137

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain A； UniProt 47–400 Fragment：MK2 Mitogen-activated protein kinase 14 × 1 （P47811） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；5 to 20% PEG 4000, 100mM Na Citrate, 5mM DTT, pH 6.0, vapor diffusion, hanging drop, temperature 298K Resolution 2.70 Å R-free 0.296

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 2OZA Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1KWP Crystal Structure of MAPKAP2 Deposited 2002-01-30 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–400（400 aa）
Not recorded HG MERCURY (II) ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.15；298 K；2 M Na/K phosphate, pH 5.15, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.245
1KWP Crystal Structure of MAPKAP2 Deposited 2002-01-30 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–400（400 aa）
Not recorded HG MERCURY (II) ION × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.15；298 K；2 M Na/K phosphate, pH 5.15, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.245
1KWP Crystal Structure of MAPKAP2 Deposited 2002-01-30 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 1–400（400 aa）
Chain B 1–400（400 aa）
Not recorded HG MERCURY (II) ION × 42 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.15；298 K；2 M Na/K phosphate, pH 5.15, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.80 Å R-free 0.245
1NXK Crystal structure of staurosporine bound to MAP KAP kinase 2 Deposited 2003-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–400（400 aa） Fragment：MK2
Non-standard monomer：Yes (specific site not provided by mmCIF) STU STAUROSPORINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2M ammonium sulfate, 100 mM HEPES pH 7.5, 2% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.70 Å R-free 0.274
1NXK Crystal structure of staurosporine bound to MAP KAP kinase 2 Deposited 2003-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–400（400 aa） Fragment：MK2
Non-standard monomer：Yes (specific site not provided by mmCIF) STU STAUROSPORINE × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2M ammonium sulfate, 100 mM HEPES pH 7.5, 2% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.70 Å R-free 0.274
1NXK Crystal structure of staurosporine bound to MAP KAP kinase 2 Deposited 2003-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 1–400（400 aa） Fragment：MK2
Non-standard monomer：Yes (specific site not provided by mmCIF) STU STAUROSPORINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2M ammonium sulfate, 100 mM HEPES pH 7.5, 2% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.70 Å R-free 0.274
1NXK Crystal structure of staurosporine bound to MAP KAP kinase 2 Deposited 2003-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 1–400（400 aa） Fragment：MK2
Non-standard monomer：Yes (specific site not provided by mmCIF) STU STAUROSPORINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2M ammonium sulfate, 100 mM HEPES pH 7.5, 2% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.70 Å R-free 0.274
1NXK Crystal structure of staurosporine bound to MAP KAP kinase 2 Deposited 2003-02-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 1–400（400 aa） Fragment：MK2
Chain B 1–400（400 aa） Fragment：MK2
Chain C 1–400（400 aa） Fragment：MK2
Chain D 1–400（400 aa） Fragment：MK2
Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) Non-standard monomer：Yes (specific site not provided by mmCIF) STU STAUROSPORINE × 12 SO4 SULFATE ION × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；296 K；2M ammonium sulfate, 100 mM HEPES pH 7.5, 2% PEG 400, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 2.70 Å R-free 0.274
1NY3 Crystal structure of ADP bound to MAP KAP kinase 2 Deposited 2003-02-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–400（400 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；2.0M Ammonium Sulfate, pH unbuffered, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 3.00 Å R-free 0.292
1NY3 Crystal structure of ADP bound to MAP KAP kinase 2 Deposited 2003-02-11 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 1–400（400 aa）
Not recorded ADP ADENOSINE-5'-DIPHOSPHATE × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；296 K；2.0M Ammonium Sulfate, pH unbuffered, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 3.00 Å R-free 0.292
2JBO Protein kinase MK2 in complex with an inhibitor (crystal form-1, soaking) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded PO4 PHOSPHATE ION × 1 P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 4.5；1.5-1.6M SODIUM POTASSIUM PHOSPHATE PH 4.5, 0.014M DEOXY-BIGCHAP. THE INHIBITOR WAS SOAKED INTO CRYSTALS GROWN INITIALLY FROM MK2-ADP
Resolution 3.10 Å R-free 0.274
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain J 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2JBP Protein kinase MK2 in complex with an inhibitor (crystal form-2, co- crystallization) Deposited 2006-12-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain I 41–364（324 aa） Fragment：KINASE DOMAIN, RESIDUES 41-364
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；1.8-2.0M SODIUM POTTASIUM PHOSPHATE PH 7.5, 0.0003M INHIBITOR
Resolution 3.31 Å R-free 0.279
2OKR Crystal Structure of the P38a-MAPKAP kinase 2 Heterodimer Deposited 2007-01-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 370–393（24 aa） Fragment：residues 370-393
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；25% Peg 3350, 250 mM Sodium Formate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.272
2OKR Crystal Structure of the P38a-MAPKAP kinase 2 Heterodimer Deposited 2007-01-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 370–393（24 aa） Fragment：residues 370-393
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.2；298 K；25% Peg 3350, 250 mM Sodium Formate, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.00 Å R-free 0.272
2ONL Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer Deposited 2007-01-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–400（400 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；298 K；3.75% Peg 2000, 100mM Hepes, Prior to crystallization, 1-s-nonyl-1-b-D-thioglucoside (1xcmc) and heptanetriol (1.5%) was added to the protein sample, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50
Resolution 4.00 Å R-free 0.331
2ONL Crystal Structure of the p38a-MAPKAP kinase 2 Heterodimer Deposited 2007-01-24 Different construct Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–400（400 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions pH 7.5；298 K；3.75% Peg 2000, 100mM Hepes, Prior to crystallization, 1-s-nonyl-1-b-D-thioglucoside (1xcmc) and heptanetriol (1.5%) was added to the protein sample, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K, pH 7.50
Resolution 4.00 Å R-free 0.331
2P3G Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2 Deposited 2007-03-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 45–371（327 aa） Fragment：N- and C-terminally truncated
Not recorded F10 2-[2-(2-FLUOROPHENYL)PYRIDIN-4-YL]-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；Protein solution (5 mg/ml) euqilibrated against 1.6 - 2.0 M sodium malonate at pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Resolution 3.80 Å R-free 0.374
2PZY Structure of MK2 Complexed with Compound 76 Deposited 2007-05-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 41–364（324 aa） Fragment：MAPK-Activated protein kinase 2
Not recorded B18 (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；297 K；100 mM HEPES pH 7.5, 1.85 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 297K
Resolution 2.90 Å R-free 0.313
2PZY Structure of MK2 Complexed with Compound 76 Deposited 2007-05-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 41–364（324 aa） Fragment：MAPK-Activated protein kinase 2
Not recorded B18 (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；297 K；100 mM HEPES pH 7.5, 1.85 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 297K
Resolution 2.90 Å R-free 0.313
2PZY Structure of MK2 Complexed with Compound 76 Deposited 2007-05-18 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 41–364（324 aa） Fragment：MAPK-Activated protein kinase 2
Not recorded STU STAUROSPORINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；297 K；100 mM HEPES pH 7.5, 1.85 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 297K
Resolution 2.90 Å R-free 0.313
2PZY Structure of MK2 Complexed with Compound 76 Deposited 2007-05-18 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 41–364（324 aa） Fragment：MAPK-Activated protein kinase 2
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；297 K；100 mM HEPES pH 7.5, 1.85 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 297K
Resolution 2.90 Å R-free 0.313
2PZY Structure of MK2 Complexed with Compound 76 Deposited 2007-05-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 41–364（324 aa） Fragment：MAPK-Activated protein kinase 2
Chain B 41–364（324 aa） Fragment：MAPK-Activated protein kinase 2
Chain C 41–364（324 aa） Fragment：MAPK-Activated protein kinase 2
Chain D 41–364（324 aa） Fragment：MAPK-Activated protein kinase 2
Not recorded B18 (4R)-N-[4-({[2-(DIMETHYLAMINO)ETHYL]AMINO}CARBONYL)-1,3-THIAZOL-2-YL]-4-METHYL-1-OXO-2,3,4,9-TETRAHYDRO-1H-BETA-CARBOLINE-6-CARBOXAMIDE × 6 STU STAUROSPORINE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；297 K；100 mM HEPES pH 7.5, 1.85 M AMMONIUM SULFATE, vapor diffusion, hanging drop, temperature 297K
Resolution 2.90 Å R-free 0.313
3A2C Crystal structure of a pyrazolopyrimidine inhibitor complex bound to MAPKAP Kinase-2 (MK2) Deposited 2009-05-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain B 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain C 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain D 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain E 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain F 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain G 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain H 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain I 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain J 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain K 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Chain L 41–364（324 aa） Fragment：kinase domaine, residues 41-364
Not recorded PDY N~7~-(4-ethoxyphenyl)-6-methyl-N~5~-[(3S)-piperidin-3-yl]pyrazolo[1,5-a]pyrimidine-5,7-diamine × 24 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；293 K；pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.90 Å R-free 0.335
3FPM Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2 Deposited 2009-01-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 41–364（324 aa） Fragment：Protein kinase domain
Not recorded 793 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；296 K；1600 mM Sodium Malonate pH 5, 1 % MPD, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 3.30 Å R-free 0.337
3FPM Crystal Structure of a Squarate Inhibitor bound to MAPKAP Kinase-2 Deposited 2009-01-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 41–364（324 aa） Fragment：Protein kinase domain
Not recorded 793 3-{[(1R)-1-phenylethyl]amino}-4-(pyridin-4-ylamino)cyclobut-3-ene-1,2-dione × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；296 K；1600 mM Sodium Malonate pH 5, 1 % MPD, VAPOR DIFFUSION, HANGING DROP, temperature 296K
Resolution 3.30 Å R-free 0.337
3FYJ Crystal structure of an optimzied benzothiophene inhibitor bound to MAPKAP Kinase-2 (MK-2) Deposited 2009-01-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain X 45–371（327 aa） Fragment：MK-2 kinase module and the auto-inhibitory domain
Not recorded B97 (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；MK-2 protein at 5 mg/ml is equilibrated against a well solution of 1.6 - 2.0 M Sodium malonate at pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.80 Å R-free 0.388
3FYJ Crystal structure of an optimzied benzothiophene inhibitor bound to MAPKAP Kinase-2 (MK-2) Deposited 2009-01-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 45–371（327 aa） Fragment：MK-2 kinase module and the auto-inhibitory domain
Not recorded B97 (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；MK-2 protein at 5 mg/ml is equilibrated against a well solution of 1.6 - 2.0 M Sodium malonate at pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.80 Å R-free 0.388
3FYK Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2) Deposited 2009-01-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain X 45–371（327 aa） Fragment：MK-2 kinase module and the auto-inhibitory domain
Not recorded B98 (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；MK-2 protein at 5 mg/ml equilibrated against a well solution of 1.6 - 2.0 M Sodium malonate at pH 5.4, vapor diffusion, hanging drop, temperature 298K
Resolution 3.50 Å R-free 0.296
3FYK Crystal structure of a benzthiophene lead bound to MAPKAP Kinase-2 (MK-2) Deposited 2009-01-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain X 45–371（327 aa） Fragment：MK-2 kinase module and the auto-inhibitory domain
Not recorded B98 (3R)-3-(aminomethyl)-9-methoxy-1,2,3,4-tetrahydro-5H-[1]benzothieno[3,2-e][1,4]diazepin-5-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；MK-2 protein at 5 mg/ml equilibrated against a well solution of 1.6 - 2.0 M Sodium malonate at pH 5.4, vapor diffusion, hanging drop, temperature 298K
Resolution 3.50 Å R-free 0.296
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 41–364（324 aa） Fragment：Protein kinase domain
Chain B 41–364（324 aa） Fragment：Protein kinase domain
Chain C 41–364（324 aa） Fragment：Protein kinase domain
Chain D 41–364（324 aa） Fragment：Protein kinase domain
Chain E 41–364（324 aa） Fragment：Protein kinase domain
Chain F 41–364（324 aa） Fragment：Protein kinase domain
Chain G 41–364（324 aa） Fragment：Protein kinase domain
Chain H 41–364（324 aa） Fragment：Protein kinase domain
Chain I 41–364（324 aa） Fragment：Protein kinase domain
Chain J 41–364（324 aa） Fragment：Protein kinase domain
Chain K 41–364（324 aa） Fragment：Protein kinase domain
Chain L 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 13 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 14 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain I 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 15 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain J 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 16 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 17 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 41–364（324 aa） Fragment：Protein kinase domain
Chain B 41–364（324 aa） Fragment：Protein kinase domain
Chain C 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 41–364（324 aa） Fragment：Protein kinase domain
Chain E 41–364（324 aa） Fragment：Protein kinase domain
Chain F 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain G 41–364（324 aa） Fragment：Protein kinase domain
Chain H 41–364（324 aa） Fragment：Protein kinase domain
Chain I 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain J 41–364（324 aa） Fragment：Protein kinase domain
Chain K 41–364（324 aa） Fragment：Protein kinase domain
Chain L 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3GOK Binding site mapping of protein ligands Deposited 2009-03-19 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 41–364（324 aa） Fragment：Protein kinase domain
Not recorded P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 4.2；273 K；40% ethanol, 5% PEG1000, 100mM phosphate-citrate, pH 4.2, VAPOR DIFFUSION, SITTING DROP, temperature 273K
Resolution 3.20 Å R-free 0.258
3KA0 MK2 complex with inhibitor 6-(5-(2-aminopyrimidin-4-ylamino)-2-hydroxyphenyl)-N-methylbenzo[b]thiophene-2-carboxamide Deposited 2009-10-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 47–366（320 aa） Fragment：Kinase Domain
Mutation：T222E MK3 6-{5-[(2-aminopyrimidin-4-yl)amino]-2-hydroxyphenyl}-N-methylidene-1-benzothiophene-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 5.5；291 K；2M Sodium Malonate pH 5.5 Anapoe 80 , VAPOR DIFFUSION, SITTING DROP, temperature 291.0K
Resolution 2.90 Å R-free 0.265
3KC3 MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine Deposited 2009-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 41–364（324 aa） Fragment：Kinase domain
Chain F 41–364（324 aa） Fragment：Kinase domain
Chain H 41–364（324 aa） Fragment：Kinase domain
Not recorded MK2 N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；1.75 M Ammonium Sulfate, 0.1 M Na Citrate, pH 8.0., VAPOR DIFFUSION, SITTING DROP, temperature 291.0K
Resolution 2.90 Å R-free 0.298
3KC3 MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine Deposited 2009-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain B 41–364（324 aa） Fragment：Kinase domain
Chain E 41–364（324 aa） Fragment：Kinase domain
Chain J 41–364（324 aa） Fragment：Kinase domain
Not recorded MK2 N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；1.75 M Ammonium Sulfate, 0.1 M Na Citrate, pH 8.0., VAPOR DIFFUSION, SITTING DROP, temperature 291.0K
Resolution 2.90 Å R-free 0.298
3KC3 MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine Deposited 2009-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain C 41–364（324 aa） Fragment：Kinase domain
Chain I 41–364（324 aa） Fragment：Kinase domain
Chain L 41–364（324 aa） Fragment：Kinase domain
Not recorded MK2 N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；1.75 M Ammonium Sulfate, 0.1 M Na Citrate, pH 8.0., VAPOR DIFFUSION, SITTING DROP, temperature 291.0K
Resolution 2.90 Å R-free 0.298
3KC3 MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine Deposited 2009-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain D 41–364（324 aa） Fragment：Kinase domain
Chain G 41–364（324 aa） Fragment：Kinase domain
Chain K 41–364（324 aa） Fragment：Kinase domain
Not recorded MK2 N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；1.75 M Ammonium Sulfate, 0.1 M Na Citrate, pH 8.0., VAPOR DIFFUSION, SITTING DROP, temperature 291.0K
Resolution 2.90 Å R-free 0.298
3KC3 MK2 complexed to inhibitor N4-(7-(benzofuran-2-yl)-1H-indazol-5-yl)pyrimidine-2,4-diamine Deposited 2009-10-20 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 5 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 41–364（324 aa） Fragment：Kinase domain
Chain B 41–364（324 aa） Fragment：Kinase domain
Chain C 41–364（324 aa） Fragment：Kinase domain
Chain D 41–364（324 aa） Fragment：Kinase domain
Chain E 41–364（324 aa） Fragment：Kinase domain
Chain F 41–364（324 aa） Fragment：Kinase domain
Chain G 41–364（324 aa） Fragment：Kinase domain
Chain H 41–364（324 aa） Fragment：Kinase domain
Chain I 41–364（324 aa） Fragment：Kinase domain
Chain J 41–364（324 aa） Fragment：Kinase domain
Chain K 41–364（324 aa） Fragment：Kinase domain
Chain L 41–364（324 aa） Fragment：Kinase domain
Not recorded MK2 N~4~-[7-(1-benzofuran-2-yl)-1H-indazol-5-yl]pyrimidine-2,4-diamine × 11 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 8；291 K；1.75 M Ammonium Sulfate, 0.1 M Na Citrate, pH 8.0., VAPOR DIFFUSION, SITTING DROP, temperature 291.0K
Resolution 2.90 Å R-free 0.298
3KGA Crystal structure of MAPKAP kinase 2 (MK2) complexed with a potent 3-aminopyrazole ATP site inhibitor Deposited 2009-10-28 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 47–364（318 aa） Fragment：Kinase domain
Mutation：DELTA216-236, P237G MG MAGNESIUM ION × 1 LX9 6-{3-amino-1-[3-(1H-indol-6-yl)phenyl]-1H-pyrazol-4-yl}-3,4-dihydroisoquinolin-1(2H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；298 K；0.1M BICINE, 1.3M SODIUM MALONATE, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.55 Å R-free 0.235
3M2W Crystal structure of MAPKAK kinase 2 (MK2) complexed with a spiroazetidine-tetracyclic ATP site inhibitor Deposited 2010-03-08 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 47–364（318 aa） Fragment：Kinase domain
Mutation：DELTA216-236, P237G L8I 2'-(2-fluorophenyl)-1-methyl-6',8',9',11'-tetrahydrospiro[azetidine-3,10'-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin]-7'(5'H)-one × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.3；298 K；0.1M BICINE, 1.3M SODIUM MALONATE, pH 8.3, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.41 Å R-free 0.227
3M42 Crystal structure of MAPKAP kinase 2 (MK2) complexed with a tetracyclic ATP site inhibitor Deposited 2010-03-10 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 47–364（318 aa） Fragment：Kinase domain
Mutation：DELTA216-236, P237G MG MAGNESIUM ION × 1 HGF 2-[5-(2-methoxyethoxy)pyridin-3-yl]-8,9,10,11-tetrahydro-7H-pyrido[3',4':4,5]pyrrolo[2,3-f]isoquinolin-7-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.6；298 K；3.0M Na Formate, 0.1M Na Citrate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.68 Å R-free 0.232
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded 05B 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain J 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded 05B 2'-[2-(1,3-benzodioxol-5-yl)pyrimidin-4-yl]-5',6'-dihydrospiro[piperidine-4,7'-pyrrolo[3,2-c]pyridin]-4'(1'H)-one × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2B MK2 kinase bound to Compound 5b Deposited 2011-03-14 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain I 47–364（318 aa） Fragment：UNP residues 47-364
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；293 K；100 mM Tris, 2.3 M AmSO4, pH 8.5, vapor diffusion, hanging drop, temperature 293K
Resolution 2.90 Å R-free 0.316
3R2Y MK2 kinase bound to Compound 1 Deposited 2011-03-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–364（319 aa） Fragment：Kinase domain, UNP residues 46-364
Not recorded MLI MALONATE ION × 2 P4O 2-(2-QUINOLIN-3-YLPYRIDIN-4-YL)-1,5,6,7-TETRAHYDRO-4H-PYRROLO[3,2-C]PYRIDIN-4-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；1.6 M Sodium Malonate, pH 5.0, vapor diffusion, hanging drop, temperature 293K
Resolution 3.00 Å R-free 0.334
3R30 MK2 kinase bound to Compound 2 Deposited 2011-03-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 46–364（319 aa） Fragment：Kinase domain, UNP residues 46-364
Not recorded CD2 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；1.8 M Sodium Malonate, pH 5.0, vapor diffusion, hanging drop, temperature 293K
Resolution 3.20 Å R-free 0.332
3R30 MK2 kinase bound to Compound 2 Deposited 2011-03-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 46–364（319 aa） Fragment：Kinase domain, UNP residues 46-364
Not recorded CD2 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；1.8 M Sodium Malonate, pH 5.0, vapor diffusion, hanging drop, temperature 293K
Resolution 3.20 Å R-free 0.332
3R30 MK2 kinase bound to Compound 2 Deposited 2011-03-15 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain A 46–364（319 aa） Fragment：Kinase domain, UNP residues 46-364
Not recorded CD2 1-(2-aminoethyl)-3-[2-(quinolin-3-yl)pyridin-4-yl]-1H-pyrazole-5-carboxylic acid × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；1.8 M Sodium Malonate, pH 5.0, vapor diffusion, hanging drop, temperature 293K
Resolution 3.20 Å R-free 0.332
3WI6 Crystal structure of MAPKAP Kinase-2 (MK2) in complex with non-selective inhibitor Deposited 2013-09-06 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric
Chain A 41–364（324 aa） Fragment：UNP residues 41-364
Chain B 41–364（324 aa） Fragment：UNP residues 41-364
Chain C 41–364（324 aa） Fragment：UNP residues 41-364
Chain D 41–364（324 aa） Fragment：UNP residues 41-364
Chain E 41–364（324 aa） Fragment：UNP residues 41-364
Chain F 41–364（324 aa） Fragment：UNP residues 41-364
Not recorded YRZ N-[(3S)-piperidin-3-yl]-7,8-dihydro-6H-pyrazolo[1,5-a]pyrrolo[3,2-e]pyrimidin-5-amine × 12 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5；293 K；0.1M Na-Acetate, 1.6M Ammonium Sulphate, 200mM NaCl, 1.4mM Deoxi Big Chap, pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K
Resolution 2.99 Å R-free 0.283
4TYH Ternary complex of P38 and MK2 with a P38 inhibitor Deposited 2014-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 51–400（350 aa） Fragment：UNP residues 51-400
Not recorded 39G N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；9% PEG 4K, 100mM NaCit, pH 5.6
Resolution 3.00 Å R-free 0.313
6T8X Crystal structure of MAPKAPK2 (MK2) complexed with PF-3644022 and 5-(4-bromophenyl)-N-[4-(1-piperazinyl)phenyl]-N-(2-pyridinylmethyl)-2-furancarboxamide Deposited 2019-10-25 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric
Chain A 41–338（298 aa）
Chain B 41–338（298 aa）
Chain C 41–338（298 aa）
Chain D 41–338（298 aa）
Chain E 41–338（298 aa）
Chain F 41–338（298 aa）
Mutation：T222E, T334E Mutation：T222E, T334E Mutation：T222E, T334E Mutation：T222E, T334E Mutation：T222E, T334E Mutation：T222E, T334E B97 (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one × 6 CL CHLORIDE ION × 6 MW8 5-(4-bromophenyl)-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide × 6 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；295 K；1.3M NaMalonate, 0.1M Hepes pH6.0, 0.5% jeffamine ED2003
Resolution 2.81 Å R-free 0.247
6TCA Phosphorylated p38 and MAPKAPK2 complex with inhibitor Deposited 2019-11-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 41–400（360 aa）
Not recorded 39G N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；295 K；100mM HEPES pH 7.3, 3.5% PEG 8000, 1% MPD, 1% DMSO. 1.0 M(NH4)2SO4 in the reservoir
Resolution 3.70 Å R-free 0.297
6TCA Phosphorylated p38 and MAPKAPK2 complex with inhibitor Deposited 2019-11-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 41–400（360 aa）
Not recorded 39G N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；295 K；100mM HEPES pH 7.3, 3.5% PEG 8000, 1% MPD, 1% DMSO. 1.0 M(NH4)2SO4 in the reservoir
Resolution 3.70 Å R-free 0.297
6TCA Phosphorylated p38 and MAPKAPK2 complex with inhibitor Deposited 2019-11-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 41–400（360 aa）
Not recorded 39G N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；295 K；100mM HEPES pH 7.3, 3.5% PEG 8000, 1% MPD, 1% DMSO. 1.0 M(NH4)2SO4 in the reservoir
Resolution 3.70 Å R-free 0.297
6TCA Phosphorylated p38 and MAPKAPK2 complex with inhibitor Deposited 2019-11-05 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 41–400（360 aa）
Not recorded 39G N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.3；295 K；100mM HEPES pH 7.3, 3.5% PEG 8000, 1% MPD, 1% DMSO. 1.0 M(NH4)2SO4 in the reservoir
Resolution 3.70 Å R-free 0.297
7NRY Re-refinement of MAPKAP kinase-2/inhibitor complex 3fyj Deposited 2021-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric
Chain X 45–371（327 aa）
Not recorded B97 (10R)-10-methyl-3-(6-methylpyridin-3-yl)-9,10,11,12-tetrahydro-8H-[1,4]diazepino[5',6':4,5]thieno[3,2-f]quinolin-8-one × 3 CL CHLORIDE ION × 3 MLA MALONIC ACID × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 5.4；298 K；MK-2 protein at 5 mg/ml is equilibrated against a well solution of 1.6 - 2.0 M Sodium malonate at pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 3.80 Å R-free 0.275
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 47–364（318 aa）
Mutation：S216G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain J 47–364（318 aa）
Mutation：S216G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain K 47–364（318 aa）
Mutation：S216G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain L 47–364（318 aa）
Mutation：S216G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 47–364（318 aa）
Mutation：S216G MLA MALONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain C 47–364（318 aa）
Mutation：S216G MLA MALONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain D 47–364（318 aa）
Mutation：S216G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain E 47–364（318 aa）
Mutation：S216G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain F 47–364（318 aa）
Mutation：S216G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain G 47–364（318 aa）
Mutation：S216G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain H 47–364（318 aa）
Mutation：S216G MLA MALONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XU4 The Crystal Structure of MAPK2 from Biortus. Deposited 2024-01-12 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain I 47–364（318 aa）
Mutation：S216G No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH7, 0.5% v/v Jeffamine ED2003
Resolution 3.40 Å R-free 0.263
8XX1 The Crystal Structure of MAPKAP kinase 2 domain from Biortus Deposited 2024-01-17 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 47–364（318 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；1.1M Sodium malonate dibasic monohydrate, 0.1M HEPES pH 7, 0.5% v/v Jeffamine ED2003
Resolution 2.55 Å R-free 0.245
9R59 Crystal structure of MAPKAPK2 with a covalent compound GCL334 targeting lysine Deposited 2025-05-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 48–364（317 aa）
Not recorded A1JH4 5-[3-[bis(oxidanyl)-$l^{3}-sulfanyl]oxy-4-chloranyl-phenyl]-~{N}-(4-piperazin-1-ylphenyl)-~{N}-(pyridin-2-ylmethyl)furan-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；1M succinic acid, 1% PEG2000 MME, 0.1M HEPES pH 7.0
Resolution 3.00 Å R-free 0.229

30 other PDB entries and 104 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MAPK2_HUMAN
Isoform —
PDB entities 1
Chains and sequence ranges Author chain A； PDBConstruct 3–356； UniProt 47–400

Mitogen-activated protein kinase 14

Mus musculus

UniProt P47811

State in the Current Structure

Assembly Oligomeric State Construct Mutations and Modifications Ligands, Ions and Associated Components Method and Experimental Conditions Structure Quality
1 Protein heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count Chain B； UniProt 2–360 Fragment：P38A MAP kinase-activated protein kinase 2 × 1 （P49137） X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, HANGING DROP；pH 6；298 K；5 to 20% PEG 4000, 100mM Na Citrate, 5mM DTT, pH 6.0, vapor diffusion, hanging drop, temperature 298K Resolution 2.70 Å R-free 0.296

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

Other PDB Difference from Current Entry 2OZA Assembly / Oligomeric State Construct Mutations and Modifications Ligands, Ions and Non-polymers Method and Experimental Conditions Structure Quality
1LEW CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS NUCLEAR SUBSTRATE MEF2A Deposited 2002-04-10 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；289 K；PEG 8000, HEPES, pH 7.5, VAPOR DIFFUSION, temperature 289K
Resolution 2.30 Å R-free 0.257
1LEZ CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS ACTIVATOR MKK3B Deposited 2002-04-10 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa）
Mutation：M30N No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7；289 K；PEG 8000, calcium acetate, sodium cacodylate, pH 7.0, VAPOR DIFFUSION, temperature 289K
Resolution 2.30 Å R-free 0.249
1YW2 Mutated Mus Musculus P38 Kinase (mP38) Deposited 2005-02-16 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–359（360 aa）
Mutation：S180A, Y182F PGJ 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；287 K；PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K
Resolution 2.01 Å R-free 0.290
1YWR Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor Deposited 2005-02-18 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–359（360 aa）
Mutation：S180A, Y182F LI9 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；287 K；12-17% PEG 4000, 100mM MES (pH 6.0-7.0), pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K
Resolution 1.95 Å
2EWA Dual binding mode of pyridinylimidazole to MAP kinase p38 Deposited 2005-11-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 0–359（360 aa）
Not recorded SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE × 1 X-RAY DIFFRACTION mmCIF provides none of the parsed conditions Resolution 2.10 Å R-free 0.279
2GHL Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743 Deposited 2006-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–351（348 aa）
Mutation：Y182F, T180A LIB 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；18%(w/v) PEG 1500 0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 2.10 Å R-free 0.301
2GHM Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 Deposited 2006-03-27 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–351（348 aa）
Mutation：Y182F, T180A LIC 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；18% (w/v) PEG 1500 100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 2.35 Å R-free 0.323
2GTM Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 Deposited 2006-04-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–351（348 aa）
Not recorded LID 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；18%(W/V) PEG 1500, 0.1M MES (pH 6.5), streak seed, 1-3 days to maximum size, VAPOR DIFFUSION, HANGING DROP, temperature 288K
Resolution 1.90 Å R-free 0.261
2GTN Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 Deposited 2006-04-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 4–351（348 aa）
Not recorded SO4 SULFATE ION × 1 LIE 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions pH 6.5；288 K；18%(W/V) PEG 1500, 0.1M MES, streak seed, 1-3 days to maximum size, VAPOR DIFFUSION, HANGING DROP, temperature 288K, pH 6.50
Resolution 1.80 Å R-free 0.248
2PUU Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea Deposited 2007-05-09 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 5–352（348 aa）
Not recorded G2G 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；298 K；10-20 % PEG4000, pH 6.0-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
Resolution 2.50 Å R-free 0.318
3P4K The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution Deposited 2010-10-06 Different construct Different mutation/modification Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa）
Mutation：S28A No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289 K；1.45M (NH4)2SO4, 0.2M Li2SO4, 0.1M Hepes pH 7.0-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
Resolution 2.30 Å R-free 0.239
3P5K P38 inhibitor-bound Deposited 2010-10-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded BOG octyl beta-D-glucopyranoside × 1 P5K 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；10-20%PEG4000, 0.1M cacodylic acid, 50 mM n-octyl-D-glucoside, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.0
Resolution 2.09 Å R-free 0.265
3P78 P38 inhibitor-bound Deposited 2010-10-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded BOG octyl beta-D-glucopyranoside × 1 P78 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20%PEG4000 0.1M cacodylic acid (pH6.0) 50 mM n-octyl-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.30 Å R-free 0.313
3P79 P38 inhibitor-bound Deposited 2010-10-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded BOG octyl beta-D-glucopyranoside × 1 P79 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20%PEG4000 0.1M cacodylic acid (pH6.0) 50 mM n-octyl -D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K
Resolution 2.10 Å R-free 0.270
3P7A p38 inhibitor-bound Deposited 2010-10-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded BOG octyl beta-D-glucopyranoside × 1 P7A 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20% PEG4000, 0.1M cacodylic acid, 50 mM n-octyl-beta-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.0
Resolution 2.31 Å R-free 0.298
3P7B p38 inhibitor-bound Deposited 2010-10-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded P7B 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea × 1 BOG octyl beta-D-glucopyranoside × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20% PEG4000 0.1M cacodylic acid, 50 mM n-octyl-beta-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.0
Resolution 1.90 Å R-free 0.265
3P7C p38 inhibitor-bound Deposited 2010-10-12 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded BOG octyl beta-D-glucopyranoside × 1 P7C 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20% PEG4000 0.1M cacodylic acid, 50 mM n-octyl-beta-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.0
Resolution 2.30 Å R-free 0.292
3PY3 Crystal structure of phosphorylated p38alpha MAP kinase Deposited 2010-12-11 Different construct Different mutation/modification Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；23%(W/V) polyethylene glycol 3350, 0.2M Sodium Citrate, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
Resolution 2.10 Å R-free 0.240
3TG1 Crystal structure of p38alpha in complex with a MAPK docking partner Deposited 2011-08-17 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 7.5；293 K；100mM Tris pH7.5, 9% [w/v] polyethylene glycol 3350, 8% [w/v] sucrose, VAPOR DIFFUSION, temperature 293K
Resolution 2.71 Å R-free 0.260
4KA3 Structure of MAP kinase in complex with a docking peptide Deposited 2013-04-22 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.86；294 K；100mM Hepes, 22% polyacrylic acid 5100, pH 7.86, VAPOR DIFFUSION, HANGING DROP, temperature 294K
Resolution 2.71 Å R-free 0.267
4LOO Structural basis of autoactivation of p38 alpha induced by TAB1 (Monoclinic crystal form) Deposited 2013-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa） Fragment：kinase domain (1-360)
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；25% medium-molecular weight PEG Smears, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 1.95 Å R-free 0.250
4LOP Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) Deposited 2013-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa） Fragment：kinase domain (1-360)
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 TLA L(+)-TARTARIC ACID × 1 EDO 1,2-ETHANEDIOL × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；20% PEG 3350, 0.2 M Na/K tartrate, 0.1 M Bis-Tris propane, pH 6.5, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.188
4LOP Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) Deposited 2013-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–360（360 aa） Fragment：kinase domain (1-360)
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；20% PEG 3350, 0.2 M Na/K tartrate, 0.1 M Bis-Tris propane, pH 6.5, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.188
4LOP Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) Deposited 2013-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–360（360 aa） Fragment：kinase domain (1-360)
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；20% PEG 3350, 0.2 M Na/K tartrate, 0.1 M Bis-Tris propane, pH 6.5, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.188
4LOP Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) Deposited 2013-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–360（360 aa） Fragment：kinase domain (1-360)
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 TLA L(+)-TARTARIC ACID × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；20% PEG 3350, 0.2 M Na/K tartrate, 0.1 M Bis-Tris propane, pH 6.5, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.05 Å R-free 0.188
4LOQ Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) Deposited 2013-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa） Fragment：kinase domain (1-360)
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% Medium-molecular weight PEG Smears, 0.2 M Ammonium sulphate, 0.01 M CdCl2, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.32 Å R-free 0.236
4LOQ Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) Deposited 2013-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 1–360（360 aa） Fragment：kinase domain (1-360)
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% Medium-molecular weight PEG Smears, 0.2 M Ammonium sulphate, 0.01 M CdCl2, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.32 Å R-free 0.236
4LOQ Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) Deposited 2013-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain C 1–360（360 aa） Fragment：kinase domain (1-360)
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% Medium-molecular weight PEG Smears, 0.2 M Ammonium sulphate, 0.01 M CdCl2, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.32 Å R-free 0.236
4LOQ Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) Deposited 2013-07-13 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain D 1–360（360 aa） Fragment：kinase domain (1-360)
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% Medium-molecular weight PEG Smears, 0.2 M Ammonium sulphate, 0.01 M CdCl2, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
Resolution 2.32 Å R-free 0.236
4TYH Ternary complex of P38 and MK2 with a P38 inhibitor Deposited 2014-07-08 Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain B 6–353（348 aa） Fragment：UNP residues 6-353
Not recorded 39G N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；298 K；9% PEG 4K, 100mM NaCit, pH 5.6
Resolution 3.00 Å R-free 0.313
5LAR Crystal structure of p38 alpha MAPK14 in complex with VPC00628 Deposited 2016-06-14 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded 6SH 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277.15 K；15% medium-molecular weight PEG Smears (MMW PEG smears), 0.1 M MES, pH 6.5
Resolution 1.50 Å R-free 0.205
5NZZ Crystal structure of phosphorylated p38aMAPK in complex with TAB1 Deposited 2017-05-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain H 1–360（360 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) NI NICKEL (II) ION × 1 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG3350, 0.1M magensium chloride, 0.1M magnesium sulphate, 0.1M Tris pH8.5
Resolution 2.60 Å R-free 0.271
5NZZ Crystal structure of phosphorylated p38aMAPK in complex with TAB1 Deposited 2017-05-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain E 1–360（360 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) NI NICKEL (II) ION × 2 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG3350, 0.1M magensium chloride, 0.1M magnesium sulphate, 0.1M Tris pH8.5
Resolution 2.60 Å R-free 0.271
5NZZ Crystal structure of phosphorylated p38aMAPK in complex with TAB1 Deposited 2017-05-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain F 1–360（360 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) NI NICKEL (II) ION × 2 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG3350, 0.1M magensium chloride, 0.1M magnesium sulphate, 0.1M Tris pH8.5
Resolution 2.60 Å R-free 0.271
5NZZ Crystal structure of phosphorylated p38aMAPK in complex with TAB1 Deposited 2017-05-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain G 1–360（360 aa）
Non-standard monomer：Yes (specific site not provided by mmCIF) NI NICKEL (II) ION × 1 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG3350, 0.1M magensium chloride, 0.1M magnesium sulphate, 0.1M Tris pH8.5
Resolution 2.60 Å R-free 0.271
5O90 Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. Deposited 2017-06-15 Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa）
Mutation：T185G SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20% PEG3350 0.2M Na/K Tartrate 0.1M pH7.0 Bis-Tris Propane
Resolution 2.49 Å R-free 0.275
5R8U PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N05703b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SLS 3,4-dihydro-2~{H}-chromene-6-carboxamide × 1 CL CHLORIDE ION × 4 SO4 SULFATE ION × 3 DMS DIMETHYL SULFOXIDE × 2 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.48 Å R-free 0.198
5R8V PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N09139b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SLV ~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.48 Å R-free 0.195
5R8W PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment K00283c in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded JND 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.50 Å R-free 0.201
5R8X PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11396a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SLY (2-phenoxyphenyl)methanamine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.73 Å R-free 0.249
5R8Y PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08078b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SMV thiophene-2-carbothioamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 4 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.68 Å R-free 0.198
5R8Z PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N01381c in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SN4 6-methoxypyridine-3-carbothioamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.65 Å R-free 0.194
5R90 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11145a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SNJ 2,5-diphenyl-4~{H}-pyrazol-3-one × 1 CL CHLORIDE ION × 3 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.62 Å R-free 0.198
5R91 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL057 in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SNV 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.73 Å R-free 0.197
5R92 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL063 in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SO7 (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.66 Å R-free 0.205
5R93 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL077 in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SOJ ~{N}4-phenylbenzene-1,4-diamine × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.49 Å R-free 0.195
5R94 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL081 in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SOV 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.45 Å R-free 0.202
5R95 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL093 in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SQ4 1-(4-aminophenyl)pyrrole-2,5-dione × 1 CL CHLORIDE ION × 7 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.59 Å R-free 0.204
5R96 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL095 in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SQ7 3-(4-chlorophenyl)imidazole-2,4-dione × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.77 Å R-free 0.208
5R97 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13662a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded RUY 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine × 1 CL CHLORIDE ION × 4 SO4 SULFATE ION × 5 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.44 Å R-free 0.187
5R98 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14109a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SQG 2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.68 Å R-free 0.200
5R99 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SU7 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.89 Å R-free 0.206
5R9A PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13838a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SQM 4-benzamido-2-methyl-pyrazole-3-carboxamide × 1 CL CHLORIDE ION × 7 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.53 Å R-free 0.208
5R9B PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13866a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded JGM {N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.66 Å R-free 0.199
5R9C PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14074a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded 7ZC 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.74 Å R-free 0.213
5R9D PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment S00888c in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded N9J benzyl hydroxycarbamate × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.69 Å R-free 0.213
5R9E PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13693a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded S7S ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.77 Å R-free 0.212
5R9F PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13724a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SQP 2-(4-aminophenyl)benzoic acid × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.99 Å R-free 0.199
5R9G PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment PC587 in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded RGY (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.73 Å R-free 0.195
5R9H PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ658 in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SQV methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.49 Å R-free 0.201
5R9I PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ795 in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SQY methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate × 1 CL CHLORIDE ION × 6 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.81 Å R-free 0.213
5R9J PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14231a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded LXS 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.52 Å R-free 0.208
5R9K PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14246a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SR4 2,3-dihydro-1-benzoxepine-5-carboxylic acid × 1 CL CHLORIDE ION × 6 SO4 SULFATE ION × 4 DMS DIMETHYL SULFOXIDE × 1 MG MAGNESIUM ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.50 Å R-free 0.201
5R9L PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14274a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SRJ (3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.47 Å R-free 0.200
5R9M PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13418a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded A7K [2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium × 2 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.81 Å R-free 0.199
5R9N PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13421a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded JFS [4-(1H-benzimidazol-1-yl)phenyl]methanol × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.69 Å R-free 0.202
5R9O PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N06122b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded 54F 3-(pyridin-2-yloxy)aniline × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.60 Å R-free 0.196
5R9P PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13430a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SFY 4-amino-N-(pyridin-2-yl)benzenesulfonamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.72 Å R-free 0.195
5R9Q PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N07422b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded LVD 1-phenylmethoxyurea × 1 CL CHLORIDE ION × 4 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.65 Å R-free 0.229
5R9R PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13413a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded K3D 4-acetyl-N-ethylpiperazine-1-carboxamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.76 Å R-free 0.208
5R9S PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13470a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded A9B 5-(4-chlorophenyl)furan-2-carbohydrazide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.70 Å R-free 0.199
5R9T PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13477a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded 6T5 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.80 Å R-free 0.222
5R9U PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13475a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded JMM [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone × 1 CL CHLORIDE ION × 5 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.67 Å R-free 0.213
5R9V PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13596a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SSY ~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.45 Å R-free 0.190
5R9W PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13598a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded STV ~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.89 Å R-free 0.204
5R9X PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13611a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded NZ4 N-(3-acetylphenyl)morpholine-4-carboxamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.72 Å R-free 0.202
5R9Y PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SU7 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile × 1 CL CHLORIDE ION × 5 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.57 Å R-free 0.210
5R9Z PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13502a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded AYS 2-[(4-chlorophenyl)amino]benzamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.66 Å R-free 0.197
5RA0 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13421a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded JFS [4-(1H-benzimidazol-1-yl)phenyl]methanol × 1 CL CHLORIDE ION × 5 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.91 Å R-free 0.257
5RA1 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08141b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded PO6 2-phenoxyacetamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.61 Å R-free 0.213
5RA2 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N09036b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SV4 1-(3-methylpyridin-2-yl)-1,4-diazepane × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.57 Å R-free 0.197
5RA3 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N10836b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SVD (5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.57 Å R-free 0.229
5RA4 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11337a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SVG (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.59 Å R-free 0.199
5RA5 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11302a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SVJ (1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.54 Å R-free 0.198
5RA6 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11338a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SVM 1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea × 1 CL CHLORIDE ION × 5 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.86 Å R-free 0.211
5RA7 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11351a in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SW7 4-methylbenzamide × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.92 Å R-free 0.209
5RA8 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N05711b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded 2O6 5-(trifluoromethyl)-1,2-benzoxazol-3-amine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.78 Å R-free 0.210
5RA9 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08051b in complex with MAP kinase p38-alpha Deposited 2020-03-04 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SWD 4-chloranylthieno[3,2-d]pyrimidine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate, 10% glycerol
Resolution 1.68 Å R-free 0.201
5UOJ THE STRUCTURE OF THE MAP KINASE P38 AT 2.1 ANGSTROMS RESOLUTION Deposited 2017-01-31 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；289.15 K；18% polyethylene glycol (PEG) 8000, 0.2 M Mg(OAc)2, 0.1 M Hepes, pH 7.0
Resolution 2.10 Å R-free 0.214
6SO1 Fragment N13569a in complex with MAP kinase p38-alpha Deposited 2019-08-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded LO5 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine × 1 CL CHLORIDE ION × 7 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium acetate, 0.1M bis-tris propane pH6.9
Resolution 1.66 Å R-free 0.204
6SO2 Fragment N13460a in complex with MAP kinase p38-alpha Deposited 2019-08-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded JGG N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane pH6.9.
Resolution 1.60 Å R-free 0.193
6SO4 Fragment RZ132 in complex with MAP kinase p38-alpha Deposited 2019-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded LO8 (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
Resolution 1.51 Å R-free 0.228
6SOD Fragment N14056a in complex with MAP kinase p38-alpha Deposited 2019-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded LOE 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine × 1 CL CHLORIDE ION × 7 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
Resolution 1.87 Å R-free 0.204
6SOI Fragment N13788a in complex with MAP kinase p38-alpha Deposited 2019-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–359（359 aa）
Not recorded LOK methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
Resolution 1.55 Å R-free 0.234
6SOT Fragment N11290a in complex with MAP kinase p38-alpha Deposited 2019-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded LOQ 1-(4-methylphenyl)pyrrolidine-2,5-dione × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
Resolution 1.54 Å R-free 0.231
6SOU Fragment N13565a in complex with MAP kinase p38-alpha Deposited 2019-08-29 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded CL CHLORIDE ION × 4 SO4 SULFATE ION × 1 LPZ 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
Resolution 1.50 Å R-free 0.233
6SOV Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha Deposited 2019-08-30 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 LOT 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide × 1 LOW (5~{S},7~{R})-3-azanyladamantan-1-ol × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M calcium acetate, 0.1M MES pH6.0
Resolution 1.31 Å R-free 0.236
6SP9 Fragment KCL802 in complex with MAP kinase p38-alpha Deposited 2019-08-31 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 3 DMS DIMETHYL SULFOXIDE × 2 LOT 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M calcium acetate, 0.1M MES pH6.0
Resolution 1.22 Å R-free 0.235
6SPL Fragment KCL615 in complex with MAP kinase p38-alpha Deposited 2019-09-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 3 CL CHLORIDE ION × 2 LOW (5~{S},7~{R})-3-azanyladamantan-1-ol × 3 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M calcium acetate, 0.1M MES pH6.0
Resolution 1.38 Å R-free 0.225
6Y4T Crystal structure of p38 in complex with SR63. Deposited 2020-02-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded O8W 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 7 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；12% PEG Smear Medium, 0.1M MES pH 6.0
Resolution 1.98 Å R-free 0.251
6Y4U Crystal structure of p38 in complex with SR65 Deposited 2020-02-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded O98 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；277.15 K；17.5% PEG Smear Medium, 0.1M MES pH 6.2
Resolution 1.86 Å R-free 0.241
6Y4V Crystal structure of p38 in complex with SR68 Deposited 2020-02-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded O8Z 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；20% PEG Smear Medium, 0.1M MES pH 6.0
Resolution 1.75 Å R-free 0.222
6Y4W Crystal structure of p38 in complex with SR69 Deposited 2020-02-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded O8T 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 5 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；25% PEG Smear Broad, 0.1M MES pH 6.0
Resolution 1.86 Å R-free 0.233
6Y4X Crystal structure of p38 in complex with SR72 Deposited 2020-02-23 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded EDO 1,2-ETHANEDIOL × 7 O8Q 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；277.15 K；12% PEG Smear Medium, 0.1M MES pH 6.2
Resolution 1.60 Å R-free 0.204
6Y6V p38a bound with MCP-81 Deposited 2020-02-27 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded OE5 5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；15% MWW PegSmear 0.1 M MES
Resolution 2.10 Å R-free 0.304
6Y7W Fragment KCL_1337 in complex with MAP kinase p38-alpha Deposited 2020-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 OFW (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M REMARK 280 CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.39 Å R-free 0.219
6Y7X Fragment KCL_771 in complex with MAP kinase p38-alpha Deposited 2020-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 OFQ (2-azanyl-2-adamantyl)methanol × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.45 Å R-free 0.229
6Y7Y Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha Deposited 2020-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 OFQ (2-azanyl-2-adamantyl)methanol × 1 LOT 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.51 Å R-free 0.248
6Y7Z Fragment KCL_914 in complex with MAP kinase p38-alpha Deposited 2020-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S OG2 1-(1-adamantyl)-3-ethyl-guanidine × 1 SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.35 Å R-free 0.221
6Y80 Fragment KCL_916 in complex with MAP kinase p38-alpha Deposited 2020-03-02 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S OFZ 1-(2-adamantylmethyl)-3-ethyl-guanidine × 1 SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.24 Å R-free 0.225
6Y81 Fragment KCL_1088 in complex with MAP kinase p38-alpha Deposited 2020-03-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 OG5 (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.54 Å R-free 0.216
6Y82 Fragment KCL_804 in complex with MAP kinase p38-alpha Deposited 2020-03-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 308 (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.44 Å R-free 0.243
6Y85 Fragment KCL_1410 in complex with MAP kinase p38-alpha Deposited 2020-03-03 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S OG8 1-(1-adamantylmethyl)guanidine × 1 SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.58 Å R-free 0.233
6Y8H Novel p38-alpha crystal lattice with highly exposed p38/TAB1 non-canonical PPI surface. Deposited 2020-03-05 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 5 CL CHLORIDE ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.37 Å R-free 0.240
6YCU Fragment KCL_K777 in complex with MAP kinase p38-alpha Deposited 2020-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 3 OKZ 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.35 Å R-free 0.253
6YCW Fragment KCL_K767 in complex with MAP kinase p38-alpha Deposited 2020-03-19 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Mutation：C162S SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 3 OL8 ~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
Resolution 1.34 Å R-free 0.251
6YJC Crystal structure of p38alpha in complex with SR154 Deposited 2020-04-02 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded OSZ 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；15% medium MW PEG SMEAR, 0.1 M MES, pH 6.0
Resolution 1.74 Å R-free 0.237
6YK7 Crystal structure of p38 in complex with SR43 Deposited 2020-04-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded OU2 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 8 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；297.15 K；22.5% PEG Smear Medium, 0.1M MES pH 6.0
Resolution 1.90 Å R-free 0.235
6ZWR p38a bound with SR92 Deposited 2020-07-28 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded OEB 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；278 K；15% MMW PegSmear 0.1 M MES
Resolution 1.90 Å R-free 0.225
7BDO MAPK14 bound with SR302 Deposited 2020-12-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded TBK ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.2；277 K；22,5% MMW PgSmear 0.1M MES
Resolution 2.70 Å R-free 0.287
7BDQ MAPK14 bound with SR300 Deposited 2020-12-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded TJZ ~{N}-[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide × 1 EDO 1,2-ETHANEDIOL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；14% HMW PgSmear, 0.1M MES
Resolution 2.75 Å R-free 0.262
7BE4 Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159 Deposited 2020-12-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded TK5 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；20% MMW PEG smear, 0.1M MES pH 6.5
Resolution 2.10 Å R-free 0.268
7BE5 Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276 Deposited 2020-12-22 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–360（360 aa）
Not recorded EDO 1,2-ETHANEDIOL × 2 TKB 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；277 K；17.5% MMW PEG smear, 0.1M MES 6.0
Resolution 1.80 Å R-free 0.222
7PVU Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 Deposited 2021-10-05 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 1–359（359 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；27% PEG 3350, 0,1M BIS-TRIS pH 6.8
Resolution 2.15 Å R-free 0.239
7PVU Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 Deposited 2021-10-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain B 1–359（359 aa）
Not recorded 8DI N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；27% PEG 3350, 0,1M BIS-TRIS pH 6.8
Resolution 2.15 Å R-free 0.239
7Z6I Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 Deposited 2022-03-11 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–359（359 aa）
Mutation：C162S IIM 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine × 1 87B N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.087 M Ca Acetate 0.1M MES pH 6.0 7.1% PEG 550MME
Resolution 2.25 Å R-free 0.248
7Z9T Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 Deposited 2022-03-21 Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric
Chain AAA 1–359（359 aa）
Chain BBB 1–359（359 aa）
Mutation：C162S Mutation：C162S 87B N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；27.5% PEG3350, 0.1M BIS-TRIS pH 6.8
Resolution 2.60 Å R-free 0.254
8ACM Crystal structure of WT p38alpha Deposited 2022-07-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–359（359 aa）
Not recorded MG MAGNESIUM ION × 3 SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1,M HEPES pH 7.5, 25,%w/v PEG 3350
Resolution 2.14 Å R-free 0.244
8ACO Crystal structure of WT p38alpha Deposited 2022-07-05 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain AAA 1–359（359 aa）
Not recorded SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE × 1 MG MAGNESIUM ION × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1M MAGNESIUM CHLORIDE HEXAHYDRATE, 0.1,M HEPES pH 7, 15 %w/v PEG 4000
Resolution 2.65 Å R-free 0.278
8EFJ A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2022-09-08 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded BOG octyl beta-D-glucopyranoside × 2 WHQ (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
Resolution 2.31 Å R-free 0.223
8VMH A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2024-01-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded BOG octyl beta-D-glucopyranoside × 2 A1ACT (4P)-4-[6-fluoro-5-(2-methoxyanilino)-1H-indazol-1-yl]-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
Resolution 2.46 Å R-free 0.263
8VMM A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2024-01-13 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded BOG octyl beta-D-glucopyranoside × 2 A1ACP (4P)-4-[6-fluoro-5-(2-methoxyanilino)-1H-indazol-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
Resolution 2.40 Å R-free 0.263
8VT6 A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2024-01-25 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded BOG octyl beta-D-glucopyranoside × 2 WHQ (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide × 1 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
Resolution 2.31 Å R-free 0.216
8VWM A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2024-02-01 Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric
Chain A 2–360（359 aa）
Not recorded WHE (4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide × 1 BOG octyl beta-D-glucopyranoside × 2 X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
Resolution 1.94 Å R-free 0.222
8YP8 Structure of the p38alpha-pepHePTPm(16-31)(V31C ) complex Deposited 2024-03-15 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；0.1 M HEPES pH 7.8 0.6-0.8 M Sodium Citrate
Resolution 2.14 Å R-free 0.216
8YPE The crystal structure of inactive p38 complexed with a ATF2 from 46 to 80 Deposited 2024-03-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；20% PEG 3350, 0.2M sodium citrate
Resolution 1.95 Å R-free 0.225
8YPF The crystal structure of inactive p38 complexed with a ATF2 from 46 to 90 Deposited 2024-03-16 Different construct Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 1–360（360 aa）
Not recorded No recorded non-water small molecule X-RAY DIFFRACTION
X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；25% PEG1500, 0.1 M MMT buffer (DL-malic acid, MES monohydrate and Tris base, molar ratios 1:2:2) pH 7.0
Resolution 2.00 Å R-free 0.218

127 other PDB entries and 137 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name MK14_MOUSE
Isoform —
PDB entities 2
Chains and sequence ranges Author chain B； PDBConstruct 8–366； UniProt 2–360

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

SAXS profile for 2oza

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 2oza
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2. Structure Basics 2. Structure Basics

Entry ID entry_id2oza
Deposition date deposition_date2007-02-25
Structure title titleStructure of p38alpha complex
Keywords keywordsSERINE/THREONINE KINASE, PROTEIN-PROTEIN COMPLEX, P38A, MK2, SIGNALING PROTEIN-TRANSFERASE COMPLEX; SIGNALING PROTEIN/TRANSFERASE
Experimental Method methodX-RAY DIFFRACTION
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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier27.11 Å
Radius of gyration Rg (electron density) rg_electron26.00 Å
Forward intensity I(0) i093736800.00
Molecular weight molecular_weight77323.0 kDa
Excluded volume excluded_volume97519 ų
Envelope volume envelope_volume119350 ų
Hydration-shell volume shell_volume37041 ų
Envelope diameter envelope_diameter89.3 Å
Shell Rg shell_rg34.40 Å
Envelope Rg envelope_rg25.93 Å
Shape Rg shape_rg25.99 Å
Total Rg total_rg26.91 Å
Total atoms total_atoms5440
Residues n_residues672
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 Å−1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3
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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax84.1 Å
Rg (real space) rg_real26.93 Å
Rg uncertainty (real space) rg_real_error0.47 Å
I(0) (real space) i0_real9.3740e+07
I(0) uncertainty (real space) i0_real_error1.4260e+06
Rg (reciprocal space) rg_reciprocal26.99 Å
I(0) (reciprocal space) i0_reciprocal93740000.0000
Solution quality estimate total_estimate0.6895
Solution quality rating solution_quality REASONABLE a REASONABLE solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary34.2 Å
Skewness Skewness skewness0.150
Kurtosis Kurtosis kurtosis-0.423
Angular range angular_range— – 0.2950 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha23920000.0000
Real-space data points n_real_points60
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.909; Stabil: 1.000; Sysdev: 0.089; Positv: 1.000; Valcen: 0.990; Smooth: 0.975
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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (3)

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7. Fold Classification (SCOP + CATH) 7 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd2ozaa_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit
Domain ID domain_idd2ozab_
Class classd — Alpha and beta proteins (a+b)
Fold Fold foldd.144 — Protein kinase-like (PK-like)
Superfamily Superfamily superfamilyd.144.1 — Protein kinase-like (PK-like)
Family Family familyd.144.1.7 — Protein kinases, catalytic subunit

CATH v4.4 (5 domains)

Domain ID domain_id2ozaA01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id2ozaA02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
Domain ID domain_id2ozaA03
Class class4 — Few Secondary Structures
Architecture architecture10 — Irregular
Topology topology1170 — Protein kinase-like (PK-like)
Homologous superfamily homologous superfamily10 — MAP kinase activated protein kinase 2
Domain ID domain_id2ozaB01
Class class3 — Alpha Beta
Architecture architecture30 — 2-Layer Sandwich
Topology topology200 — Phosphorylase Kinase; domain 1
Homologous superfamily homologous superfamily20 — Phosphorylase Kinase; domain 1
Domain ID domain_id2ozaB02
Class class1 — Mainly Alpha
Architecture architecture10 — Orthogonal Bundle
Topology topology510 — Transferase(Phosphotransferase); domain 1
Homologous superfamily homologous superfamily10 — Transferase(Phosphotransferase) domain 1
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8. Citations (1)

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9. Files and Curves (10)