Current Protein Identity：P49137
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Difference tags compare only the current result set; every original PDB and assembly record remains separate.
Related-Structure Differences
Each row represents one biological assembly in one PDB entry; multiple monomers of the same protein are listed separately.
| PDB Entry | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Experimental Method | Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1KWP Crystal Structure of MAPKAP2 Deposited 2002-01-30 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 5 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 5 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
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 | Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 13 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 14 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 15 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 16 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 17 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 4 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 5 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 4 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 5 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 3 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 12 PDB declaration: dodecameric（12） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 6 PDB declaration: hexameric（6） Consistent with protein count |
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 | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric（2） Consistent with protein count |
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 | Assembly 1 Protein homooligomer Homooligomer；Protein × 3 PDB declaration: trimeric（3） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 10 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 11 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 12 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 3 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 4 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 5 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 6 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 7 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 8 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 9 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric（1） Consistent with protein count |
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 |