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2pzy

Structure of MK2 Complexed with Compound 76

Method: X-RAY DIFFRACTION Dmax: 129.7 Å Quality: GOOD
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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 monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain A； UniProt 41–364 Fragment：MAPK-Activated protein kinase 2 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
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain B； UniProt 41–364 Fragment：MAPK-Activated protein kinase 2 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
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain C； UniProt 41–364 Fragment：MAPK-Activated protein kinase 2 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
4 Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count Chain D； UniProt 41–364 Fragment：MAPK-Activated protein kinase 2 No other associated polymer 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
5 Protein homooligomer Homooligomer Protein × 12 PDB declaration: dodecameric（12） Consistent with protein copy count Chain A； UniProt 41–364 Chain B； UniProt 41–364 Chain C； UniProt 41–364 Chain D； UniProt 41–364 Fragment：MAPK-Activated protein kinase 2 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

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 2PZY 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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
2OZA Structure of p38alpha complex Deposited 2007-02-25 Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric
Chain A 47–400（354 aa） Fragment：MK2
Not recorded No recorded non-water small molecule 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
2P3G Crystal structure of a pyrrolopyridine inhibitor bound to MAPKAP Kinase-2 Deposited 2007-03-08 Different construct 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
3A2C Crystal structure of a pyrazolopyrimidine inhibitor complex bound to MAPKAP Kinase-2 (MK2) Deposited 2009-05-12 Different construct Different mutation/modification 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 oligomeric state 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 100 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 1–324； UniProt 41–364 Author chain B； PDBConstruct 1–324； UniProt 41–364 Author chain C； PDBConstruct 1–324； UniProt 41–364 Author chain D； PDBConstruct 1–324； UniProt 41–364

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 2pzy

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id2pzy
Deposition date deposition_date2007-05-18
Structure title titleStructure of MK2 Complexed with Compound 76
Keywords keywordsMK2, Protein Kinase, TRANSFERASE; 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_guinier39.62 Å
Radius of gyration Rg (electron density) rg_electron38.94 Å
Forward intensity I(0) i0270397000.00
Molecular weight molecular_weight136480.0 kDa
Excluded volume excluded_volume172110 ų
Envelope volume envelope_volume239980 ų
Hydration-shell volume shell_volume51718 ų
Envelope diameter envelope_diameter133.4 Å
Shell Rg shell_rg44.90 Å
Envelope Rg envelope_rg37.97 Å
Shape Rg shape_rg38.96 Å
Total Rg total_rg39.23 Å
Total atoms total_atoms9585
Residues n_residues1169
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 dmax129.7 Å
Rg (real space) rg_real39.52 Å
Rg uncertainty (real space) rg_real_error1.02 Å
I(0) (real space) i0_real2.7040e+08
I(0) uncertainty (real space) i0_real_error4.8810e+06
Rg (reciprocal space) rg_reciprocal39.58 Å
I(0) (reciprocal space) i0_reciprocal270400000.0000
Solution quality estimate total_estimate0.8289
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary48.6 Å
Skewness Skewness skewness0.188
Kurtosis Kurtosis kurtosis-0.548
Angular range angular_range— – 0.2000 Å−1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha24550000.0000
Real-space data points n_real_points41
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.925; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.000
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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) 12 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd2pzya_
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_idd2pzyb_
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_idd2pzyc_
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_idd2pzyd_
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 (8 domains)

Domain ID domain_id2pzyA01
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_id2pzyA02
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_id2pzyB01
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_id2pzyB02
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_id2pzyC01
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_id2pzyC02
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_id2pzyD01
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_id2pzyD02
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)