Mitogen-activated protein kinase 14
Mus musculus
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 1–360 | Not recorded | O8Z 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(3-methylbutylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 8 | X-RAY DIFFRACTION X-ray crystallization conditions：VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；20% PEG Smear Medium, 0.1M MES pH 6.0 | Resolution 1.75 Å R-free 0.222 |
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 6Y4V | Assembly / Oligomeric State | Construct | Mutations and Modifications | Ligands, Ions and Non-polymers | Method and Experimental Conditions | Structure Quality |
|---|---|---|---|---|---|---|---|
| 1LEW CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS NUCLEAR SUBSTRATE MEF2A Deposited 2002-04-10 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–360（360 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；289 K；PEG 8000, HEPES, pH 7.5, VAPOR DIFFUSION, temperature 289K
|
Resolution 2.30 Å R-free 0.257 |
| 1LEZ CRYSTAL STRUCTURE OF MAP KINASE P38 COMPLEXED TO THE DOCKING SITE ON ITS ACTIVATOR MKK3B Deposited 2002-04-10 | Different mutation/modification 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
1–360（360 aa）
|
Mutation：M30N | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7；289 K；PEG 8000, calcium acetate, sodium cacodylate, pH 7.0, VAPOR DIFFUSION, temperature 289K
|
Resolution 2.30 Å R-free 0.249 |
| 1YW2 Mutated Mus Musculus P38 Kinase (mP38) Deposited 2005-02-16 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
0–359（360 aa）
|
Mutation：S180A, Y182F | PGJ 2-(ETHOXYMETHYL)-4-(4-FLUOROPHENYL)-3-[2-(2-HYDROXYPHENOXY)PYRIMIDIN-4-YL]ISOXAZOL-5(2H)-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；287 K；PEG 1500, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 2.01 Å R-free 0.290 |
| 1YWR Crystal Structure Analysis of inactive P38 kinase domain in complex with a Monocyclic Pyrazolone Inhibitor Deposited 2005-02-18 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
0–359（360 aa）
|
Mutation：S180A, Y182F | LI9 4-(4-FLUOROPHENYL)-1-METHYL-5-(2-{[(1S)-1-PHENYLETHYL]AMINO}PYRIMIDIN-4-YL)-2-PIPERIDIN-4-YL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；287 K；12-17% PEG 4000, 100mM MES (pH 6.0-7.0), pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 287K
|
Resolution 1.95 Å |
| 2EWA Dual binding mode of pyridinylimidazole to MAP kinase p38 Deposited 2005-11-02 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
0–359（360 aa）
|
Not recorded | SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE × 1 | X-RAY DIFFRACTION mmCIF provides none of the parsed conditions | Resolution 2.10 Å R-free 0.279 |
| 2GHL Mutant Mus Musculus P38 Kinase Domain in Complex with Inhibitor PG-874743 Deposited 2006-03-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
4–351（348 aa）
|
Mutation：Y182F, T180A | LIB 3-(2-CHLOROPHENYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；18%(w/v) PEG 1500
0.1M MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K
|
Resolution 2.10 Å R-free 0.301 |
| 2GHM Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-895449 Deposited 2006-03-27 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
4–351（348 aa）
|
Mutation：Y182F, T180A | LIC 3-(2-CHLOROBENZYL)-1-(2-{[(1S)-2-HYDROXY-1,2-DIMETHYLPROPYL]AMINO}PYRIMIDIN-4-YL)-1-(4-METHOXYPHENYL)UREA × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；18% (w/v) PEG 1500
100mM MES, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 288K
|
Resolution 2.35 Å R-free 0.323 |
| 2GTM Mutated Mouse P38 MAP Kinase Domain in complex with Inhibitor PG-892579 Deposited 2006-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
4–351（348 aa）
|
Not recorded | LID 8-(2-CHLOROPHENYLAMINO)-2-(2,6-DIFLUOROPHENYLAMINO)-9-ETHYL-9H-PURINE-1,7-DIIUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；288 K；18%(W/V) PEG 1500, 0.1M MES (pH 6.5), streak seed, 1-3 days to maximum size, VAPOR DIFFUSION, HANGING DROP, temperature 288K
|
Resolution 1.90 Å R-free 0.261 |
| 2GTN Mutated MAP kinase P38 (Mus Musculus) in complex with Inhbitor PG-951717 Deposited 2006-04-28 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
4–351（348 aa）
|
Not recorded | SO4 SULFATE ION × 1 LIE 2-(2,6-DIFLUOROPHENOXY)-N-(2-FLUOROPHENYL)-9-ISOPROPYL-9H-PURIN-8-AMINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.5；288 K；18%(W/V) PEG 1500, 0.1M MES, streak seed, 1-3 days to maximum size, VAPOR DIFFUSION, HANGING DROP, temperature 288K, pH 6.50
|
Resolution 1.80 Å R-free 0.248 |
| 2OZA Structure of p38alpha complex Deposited 2007-02-25 | 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 B
2–360（359 aa）
Fragment：P38A
|
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 |
| 2PUU Crystal structure of p38 complex with 1-(5-tert-Butyl-2-p-tolyl-2H-pyrazol-3-yl)-3-[4-(6-morpholin-4-ylmethyl-pyridin-3-yl)naphthalen-1-yl]urea Deposited 2007-05-09 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
5–352（348 aa）
|
Not recorded | G2G 5-TERT-BUTYL-2-(4-METHYLPHENYL)-3-{[({4-[6-(MORPHOLIN-4-YLMETHYL)PYRIDIN-3-YL]-1-NAPHTHYL}AMINO)CARBONYL]AMINO}-1H-PYRAZOL-2-IUM × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；298 K；10-20 % PEG4000, pH 6.0-8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.50 Å R-free 0.318 |
| 3P4K The third conformation of p38a MAP kinase observed in phosphorylated p38a and in solution Deposited 2010-10-06 | Different mutation/modification 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
1–360（360 aa）
|
Mutation：S28A | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289 K；1.45M (NH4)2SO4, 0.2M Li2SO4, 0.1M Hepes pH 7.0-7.5, VAPOR DIFFUSION, HANGING DROP, temperature 289K
|
Resolution 2.30 Å R-free 0.239 |
| 3P5K P38 inhibitor-bound Deposited 2010-10-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | BOG octyl beta-D-glucopyranoside × 1 P5K 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6；293 K；10-20%PEG4000,
0.1M cacodylic acid,
50 mM n-octyl-D-glucoside, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 6.0
|
Resolution 2.09 Å R-free 0.265 |
| 3P78 P38 inhibitor-bound Deposited 2010-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | BOG octyl beta-D-glucopyranoside × 1 P78 1-{5-tert-butyl-3-[(1,1-dioxidothiomorpholin-4-yl)carbonyl]thiophen-2-yl}-3-naphthalen-2-ylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20%PEG4000
0.1M cacodylic acid (pH6.0)
50 mM n-octyl-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.30 Å R-free 0.313 |
| 3P79 P38 inhibitor-bound Deposited 2010-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | BOG octyl beta-D-glucopyranoside × 1 P79 1-{3-tert-butyl-1-[2-(1,1-dioxidothiomorpholin-4-yl)-2-oxoethyl]-1H-pyrazol-5-yl}-3-naphthalen-2-ylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20%PEG4000
0.1M cacodylic acid (pH6.0)
50 mM n-octyl -D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.270 |
| 3P7A p38 inhibitor-bound Deposited 2010-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | BOG octyl beta-D-glucopyranoside × 1 P7A 1-[5-tert-butyl-2-(1,1-dioxidothiomorpholin-4-yl)thiophen-3-yl]-3-naphthalen-1-ylurea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20% PEG4000, 0.1M cacodylic acid, 50 mM n-octyl-beta-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.0
|
Resolution 2.31 Å R-free 0.298 |
| 3P7B p38 inhibitor-bound Deposited 2010-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | P7B 1-{5-tert-butyl-3-[(5-oxo-1,4-diazepan-1-yl)carbonyl]thiophen-2-yl}-3-naphthalen-1-ylurea × 1 BOG octyl beta-D-glucopyranoside × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20% PEG4000
0.1M cacodylic acid, 50 mM n-octyl-beta-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.0
|
Resolution 1.90 Å R-free 0.265 |
| 3P7C p38 inhibitor-bound Deposited 2010-10-12 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | BOG octyl beta-D-glucopyranoside × 1 P7C 1-[5-tert-butyl-3-({4-[2-(dimethylamino)ethyl]-5-oxo-1,4-diazepan-1-yl}carbonyl)thiophen-2-yl]-3-(2,3-dichlorophenyl)urea × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；10-20% PEG4000
0.1M cacodylic acid, 50 mM n-octyl-beta-D-glucoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K, pH 6.0
|
Resolution 2.30 Å R-free 0.292 |
| 3PY3 Crystal structure of phosphorylated p38alpha MAP kinase Deposited 2010-12-11 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.5；293 K；23%(W/V) polyethylene glycol 3350, 0.2M Sodium Citrate, 100mM HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K
|
Resolution 2.10 Å R-free 0.240 |
| 3TG1 Crystal structure of p38alpha in complex with a MAPK docking partner Deposited 2011-08-17 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–360（360 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 7.5；293 K；100mM Tris pH7.5, 9% [w/v] polyethylene glycol 3350, 8% [w/v] sucrose, VAPOR DIFFUSION, temperature 293K
|
Resolution 2.71 Å R-free 0.260 |
| 4KA3 Structure of MAP kinase in complex with a docking peptide Deposited 2013-04-22 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–360（360 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.86；294 K；100mM Hepes, 22% polyacrylic acid 5100, pH 7.86, VAPOR DIFFUSION, HANGING DROP, temperature 294K
|
Resolution 2.71 Å R-free 0.267 |
| 4LOO Structural basis of autoactivation of p38 alpha induced by TAB1 (Monoclinic crystal form) Deposited 2013-07-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–360（360 aa）
Fragment：kinase domain (1-360)
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；25% medium-molecular weight PEG Smears, 0.1 M MES, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 1.95 Å R-free 0.250 |
| 4LOP Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) Deposited 2013-07-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–360（360 aa）
Fragment：kinase domain (1-360)
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 TLA L(+)-TARTARIC ACID × 1 EDO 1,2-ETHANEDIOL × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；20% PEG 3350, 0.2 M Na/K tartrate, 0.1 M Bis-Tris propane, pH 6.5, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.05 Å R-free 0.188 |
| 4LOP Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) Deposited 2013-07-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–360（360 aa）
Fragment：kinase domain (1-360)
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；20% PEG 3350, 0.2 M Na/K tartrate, 0.1 M Bis-Tris propane, pH 6.5, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.05 Å R-free 0.188 |
| 4LOP Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) Deposited 2013-07-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–360（360 aa）
Fragment：kinase domain (1-360)
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；20% PEG 3350, 0.2 M Na/K tartrate, 0.1 M Bis-Tris propane, pH 6.5, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.05 Å R-free 0.188 |
| 4LOP Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form) Deposited 2013-07-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
1–360（360 aa）
Fragment：kinase domain (1-360)
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 TLA L(+)-TARTARIC ACID × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.5；277.15 K；20% PEG 3350, 0.2 M Na/K tartrate, 0.1 M Bis-Tris propane, pH 6.5, 10% ethylene glycol, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.05 Å R-free 0.188 |
| 4LOQ Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) Deposited 2013-07-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–360（360 aa）
Fragment：kinase domain (1-360)
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% Medium-molecular weight PEG Smears, 0.2 M Ammonium sulphate, 0.01 M CdCl2, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.32 Å R-free 0.236 |
| 4LOQ Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) Deposited 2013-07-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
1–360（360 aa）
Fragment：kinase domain (1-360)
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% Medium-molecular weight PEG Smears, 0.2 M Ammonium sulphate, 0.01 M CdCl2, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.32 Å R-free 0.236 |
| 4LOQ Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) Deposited 2013-07-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain C
1–360（360 aa）
Fragment：kinase domain (1-360)
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% Medium-molecular weight PEG Smears, 0.2 M Ammonium sulphate, 0.01 M CdCl2, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.32 Å R-free 0.236 |
| 4LOQ Structural basis of autoactivation of p38 alpha induced by TAB1 (Tetragonal crystal form with bound sulphate) Deposited 2013-07-13 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 4 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain D
1–360（360 aa）
Fragment：kinase domain (1-360)
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7.5；277.15 K；25% Medium-molecular weight PEG Smears, 0.2 M Ammonium sulphate, 0.01 M CdCl2, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 277.15K
|
Resolution 2.32 Å R-free 0.236 |
| 4TYH Ternary complex of P38 and MK2 with a P38 inhibitor Deposited 2014-07-08 | Different construct Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain B
6–353（348 aa）
Fragment：UNP residues 6-353
|
Not recorded | 39G N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；298 K；9% PEG 4K, 100mM NaCit, pH 5.6
|
Resolution 3.00 Å R-free 0.313 |
| 5LAR Crystal structure of p38 alpha MAPK14 in complex with VPC00628 Deposited 2016-06-14 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | 6SH 5-azanyl-~{N}-[[4-[[(2~{S})-1-azanyl-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277.15 K；15% medium-molecular weight PEG Smears (MMW PEG smears), 0.1 M MES, pH 6.5
|
Resolution 1.50 Å R-free 0.205 |
| 5NZZ Crystal structure of phosphorylated p38aMAPK in complex with TAB1 Deposited 2017-05-15 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain H
1–360（360 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NI NICKEL (II) ION × 1 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG3350, 0.1M magensium chloride, 0.1M magnesium sulphate, 0.1M Tris pH8.5
|
Resolution 2.60 Å R-free 0.271 |
| 5NZZ Crystal structure of phosphorylated p38aMAPK in complex with TAB1 Deposited 2017-05-15 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain E
1–360（360 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NI NICKEL (II) ION × 2 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG3350, 0.1M magensium chloride, 0.1M magnesium sulphate, 0.1M Tris pH8.5
|
Resolution 2.60 Å R-free 0.271 |
| 5NZZ Crystal structure of phosphorylated p38aMAPK in complex with TAB1 Deposited 2017-05-15 | Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 3 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain F
1–360（360 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NI NICKEL (II) ION × 2 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG3350, 0.1M magensium chloride, 0.1M magnesium sulphate, 0.1M Tris pH8.5
|
Resolution 2.60 Å R-free 0.271 |
| 5NZZ Crystal structure of phosphorylated p38aMAPK in complex with TAB1 Deposited 2017-05-15 | Different mutation/modification 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
1–360（360 aa）
|
Non-standard monomer：Yes (specific site not provided by mmCIF) | NI NICKEL (II) ION × 1 AGS PHOSPHOTHIOPHOSPHORIC ACID-ADENYLATE ESTER × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 8.5；277 K；20% PEG3350, 0.1M magensium chloride, 0.1M magnesium sulphate, 0.1M Tris pH8.5
|
Resolution 2.60 Å R-free 0.271 |
| 5O90 Crystal structure of a P38alpha T185G mutant in complex with TAB1 peptide. Deposited 2017-06-15 | Different mutation/modification 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
1–360（360 aa）
|
Mutation：T185G | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；277 K；20% PEG3350
0.2M Na/K Tartrate
0.1M pH7.0 Bis-Tris Propane
|
Resolution 2.49 Å R-free 0.275 |
| 5R8U PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N05703b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SLS 3,4-dihydro-2~{H}-chromene-6-carboxamide × 1 CL CHLORIDE ION × 4 SO4 SULFATE ION × 3 DMS DIMETHYL SULFOXIDE × 2 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.48 Å R-free 0.198 |
| 5R8V PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N09139b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SLV ~{N}-(3-oxidanyl-4-propyl-phenyl)ethanamide × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.48 Å R-free 0.195 |
| 5R8W PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment K00283c in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | JND 6-ethylthieno[2,3-d]pyrimidin-4(3H)-one × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.50 Å R-free 0.201 |
| 5R8X PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11396a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SLY (2-phenoxyphenyl)methanamine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.73 Å R-free 0.249 |
| 5R8Y PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08078b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SMV thiophene-2-carbothioamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 4 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.68 Å R-free 0.198 |
| 5R8Z PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N01381c in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SN4 6-methoxypyridine-3-carbothioamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.65 Å R-free 0.194 |
| 5R90 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11145a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SNJ 2,5-diphenyl-4~{H}-pyrazol-3-one × 1 CL CHLORIDE ION × 3 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.62 Å R-free 0.198 |
| 5R91 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL057 in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SNV 2-[4-(2-aminophenyl)piperazin-1-yl]ethanol × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.73 Å R-free 0.197 |
| 5R92 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL063 in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SO7 (3~{S})-~{N}-methoxy-1-(4-methoxyphenyl)-~{N}-methyl-5-oxidanylidene-pyrrolidine-3-carboxamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.66 Å R-free 0.205 |
| 5R93 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL077 in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SOJ ~{N}4-phenylbenzene-1,4-diamine × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.49 Å R-free 0.195 |
| 5R94 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL081 in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SOV 5-[2,5-bis(oxidanylidene)pyrrol-1-yl]-2-methyl-benzenecarbonitrile × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.45 Å R-free 0.202 |
| 5R95 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL093 in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SQ4 1-(4-aminophenyl)pyrrole-2,5-dione × 1 CL CHLORIDE ION × 7 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.59 Å R-free 0.204 |
| 5R96 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment KCL095 in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SQ7 3-(4-chlorophenyl)imidazole-2,4-dione × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.77 Å R-free 0.208 |
| 5R97 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13662a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | RUY 4-(piperidin-1-yl)-1,2,5-oxadiazol-3-amine × 1 CL CHLORIDE ION × 4 SO4 SULFATE ION × 5 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.44 Å R-free 0.187 |
| 5R98 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14109a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SQG 2-cyano-~{N}-[4-(trifluoromethyloxy)phenyl]ethanamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.68 Å R-free 0.200 |
| 5R99 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SU7 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.89 Å R-free 0.206 |
| 5R9A PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13838a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SQM 4-benzamido-2-methyl-pyrazole-3-carboxamide × 1 CL CHLORIDE ION × 7 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 GOL GLYCEROL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.53 Å R-free 0.208 |
| 5R9B PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13866a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | JGM {N}-[(2~{S})-1-diazanyl-3-(4-hydroxyphenyl)-1-oxidanylidene-propan-2-yl]ethanamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.66 Å R-free 0.199 |
| 5R9C PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14074a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | 7ZC 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 ACT ACETATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.74 Å R-free 0.213 |
| 5R9D PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment S00888c in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | N9J benzyl hydroxycarbamate × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.69 Å R-free 0.213 |
| 5R9E PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13693a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | S7S ~{N}-(2-ethyl-1,2,3,4-tetrazol-5-yl)butanamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.77 Å R-free 0.212 |
| 5R9F PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13724a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SQP 2-(4-aminophenyl)benzoic acid × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.99 Å R-free 0.199 |
| 5R9G PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment PC587 in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | RGY (4R,4aS,7aS,9S)-3,10-dimethyl-5,6,7,7a,8,9-hexahydro-4H-4a,9-epiminopyrrolo[3',4':5,6]cyclohepta[1,2-d][1,2]oxazol-4-ol × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.73 Å R-free 0.195 |
| 5R9H PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ658 in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SQV methyl (2~{S})-2-(4-methoxypyridin-2-yl)propanoate × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.49 Å R-free 0.201 |
| 5R9I PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment TCJ795 in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SQY methyl (2~{R})-3-(4-bromophenyl)-2-pyridin-4-yl-propanoate × 1 CL CHLORIDE ION × 6 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.81 Å R-free 0.213 |
| 5R9J PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14231a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | LXS 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.52 Å R-free 0.208 |
| 5R9K PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14246a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SR4 2,3-dihydro-1-benzoxepine-5-carboxylic acid × 1 CL CHLORIDE ION × 6 SO4 SULFATE ION × 4 DMS DIMETHYL SULFOXIDE × 1 MG MAGNESIUM ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.50 Å R-free 0.201 |
| 5R9L PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N14274a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SRJ (3~{S})-2-(cyclopropylmethyl)-3-[(~{S})-oxidanyl(phenyl)methyl]-2-azabicyclo[2.2.2]octan-4-ol × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.47 Å R-free 0.200 |
| 5R9M PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13418a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | A7K [2-[4-(hydroxymethyl)piperidin-1-yl]phenyl]methylazanium × 2 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.81 Å R-free 0.199 |
| 5R9N PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13421a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | JFS [4-(1H-benzimidazol-1-yl)phenyl]methanol × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.69 Å R-free 0.202 |
| 5R9O PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N06122b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | 54F 3-(pyridin-2-yloxy)aniline × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.60 Å R-free 0.196 |
| 5R9P PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13430a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SFY 4-amino-N-(pyridin-2-yl)benzenesulfonamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.72 Å R-free 0.195 |
| 5R9Q PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N07422b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | LVD 1-phenylmethoxyurea × 1 CL CHLORIDE ION × 4 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.65 Å R-free 0.229 |
| 5R9R PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13413a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | K3D 4-acetyl-N-ethylpiperazine-1-carboxamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.76 Å R-free 0.208 |
| 5R9S PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13470a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | A9B 5-(4-chlorophenyl)furan-2-carbohydrazide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.70 Å R-free 0.199 |
| 5R9T PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13477a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | 6T5 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.80 Å R-free 0.222 |
| 5R9U PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13475a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | JMM [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone × 1 CL CHLORIDE ION × 5 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.67 Å R-free 0.213 |
| 5R9V PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13596a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SSY ~{N}-(3-ethanoylphenyl)-2,2,2-tris(fluoranyl)ethanamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.45 Å R-free 0.190 |
| 5R9W PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13598a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | STV ~{N}-(1,3-benzodioxol-5-ylmethyl)ethanesulfonamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.89 Å R-free 0.204 |
| 5R9X PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13611a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | NZ4 N-(3-acetylphenyl)morpholine-4-carboxamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.72 Å R-free 0.202 |
| 5R9Y PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13619a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SU7 3-oxidanylidene-3-[4-(phenylmethyl)piperidin-1-yl]propanenitrile × 1 CL CHLORIDE ION × 5 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.57 Å R-free 0.210 |
| 5R9Z PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13502a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | AYS 2-[(4-chlorophenyl)amino]benzamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.66 Å R-free 0.197 |
| 5RA0 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N13421a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | JFS [4-(1H-benzimidazol-1-yl)phenyl]methanol × 1 CL CHLORIDE ION × 5 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.91 Å R-free 0.257 |
| 5RA1 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08141b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | PO6 2-phenoxyacetamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 3 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.61 Å R-free 0.213 |
| 5RA2 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N09036b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SV4 1-(3-methylpyridin-2-yl)-1,4-diazepane × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.57 Å R-free 0.197 |
| 5RA3 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N10836b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SVD (5~{R})-5-~{tert}-butyl-2-methyl-1-oxidanyl-pyrazolidin-3-one × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.57 Å R-free 0.229 |
| 5RA4 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11337a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SVG (~{E})-1-(4-chlorophenyl)-~{N}-(pyridin-3-ylmethyl)ethanimine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.59 Å R-free 0.199 |
| 5RA5 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11302a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SVJ (1~{S},5~{R})-8-methyl-8-azabicyclo[3.2.1]octan-3-amine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.54 Å R-free 0.198 |
| 5RA6 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11338a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SVM 1-[(1~{R},2~{R},4~{S})-2-bicyclo[2.2.1]heptanyl]-3-(2-pyridin-2-ylethyl)thiourea × 1 CL CHLORIDE ION × 5 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.86 Å R-free 0.211 |
| 5RA7 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N11351a in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SW7 4-methylbenzamide × 1 CL CHLORIDE ION × 4 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.92 Å R-free 0.209 |
| 5RA8 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N05711b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | 2O6 5-(trifluoromethyl)-1,2-benzoxazol-3-amine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.78 Å R-free 0.210 |
| 5RA9 PanDDA analysis group deposition Form1 MAP kinase p38-alpha -- Fragment N08051b in complex with MAP kinase p38-alpha Deposited 2020-03-04 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SWD 4-chloranylthieno[3,2-d]pyrimidine × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1 M Bis-Tris propane, pH 6.9, 50 mM ammonium sulfate, 0.2 M 1:1 magnesium chloride:magnesium sulfate,
10% glycerol
|
Resolution 1.68 Å R-free 0.201 |
| 5UOJ THE STRUCTURE OF THE MAP KINASE P38 AT 2.1 ANGSTROMS RESOLUTION Deposited 2017-01-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；289.15 K；18% polyethylene glycol (PEG) 8000, 0.2 M Mg(OAc)2, 0.1 M Hepes, pH 7.0
|
Resolution 2.10 Å R-free 0.214 |
| 6SO1 Fragment N13569a in complex with MAP kinase p38-alpha Deposited 2019-08-28 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | LO5 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine × 1 CL CHLORIDE ION × 7 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium acetate, 0.1M bis-tris propane pH6.9
|
Resolution 1.66 Å R-free 0.204 |
| 6SO2 Fragment N13460a in complex with MAP kinase p38-alpha Deposited 2019-08-28 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | JGG N-[(4-cyanophenyl)methyl]morpholine-4-carboxamide × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane pH6.9.
|
Resolution 1.60 Å R-free 0.193 |
| 6SO4 Fragment RZ132 in complex with MAP kinase p38-alpha Deposited 2019-08-29 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | LO8 (2~{S})-2-methyl-4-(oxetan-3-yl)-~{N}-(phenylmethyl)piperazine-2-carboxamide × 1 CL CHLORIDE ION × 6 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
|
Resolution 1.51 Å R-free 0.228 |
| 6SOD Fragment N14056a in complex with MAP kinase p38-alpha Deposited 2019-08-29 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | LOE 1-[[(3~{S})-1,4-dioxaspiro[4.5]decan-3-yl]methyl]piperidine × 1 CL CHLORIDE ION × 7 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.9；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
|
Resolution 1.87 Å R-free 0.204 |
| 6SOI Fragment N13788a in complex with MAP kinase p38-alpha Deposited 2019-08-29 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–359（359 aa）
|
Not recorded | LOK methyl ~{N}-[3-(methoxycarbonylamino)phenyl]carbamate × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 DMS DIMETHYL SULFOXIDE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
|
Resolution 1.55 Å R-free 0.234 |
| 6SOT Fragment N11290a in complex with MAP kinase p38-alpha Deposited 2019-08-29 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | LOQ 1-(4-methylphenyl)pyrrolidine-2,5-dione × 1 CL CHLORIDE ION × 5 MG MAGNESIUM ION × 1 SO4 SULFATE ION × 2 EDO 1,2-ETHANEDIOL × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
|
Resolution 1.54 Å R-free 0.231 |
| 6SOU Fragment N13565a in complex with MAP kinase p38-alpha Deposited 2019-08-29 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | CL CHLORIDE ION × 4 SO4 SULFATE ION × 1 LPZ 2-(4-methylphenoxy)-1-(4-methylpiperazin-4-ium-1-yl)ethanone × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；27.5% PEG3350, 0.1M magnesium chloride, 0.1M magnesium sulphate, 0.1M bis-tris propane, 10% glycerol
|
Resolution 1.50 Å R-free 0.233 |
| 6SOV Fragments KCL_615 and KCL_802 in complex with MAP kinase p38-alpha Deposited 2019-08-30 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 LOT 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide × 1 LOW (5~{S},7~{R})-3-azanyladamantan-1-ol × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M calcium acetate, 0.1M MES pH6.0
|
Resolution 1.31 Å R-free 0.236 |
| 6SP9 Fragment KCL802 in complex with MAP kinase p38-alpha Deposited 2019-08-31 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 3 DMS DIMETHYL SULFOXIDE × 2 LOT 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M calcium acetate, 0.1M MES pH6.0
|
Resolution 1.22 Å R-free 0.235 |
| 6SPL Fragment KCL615 in complex with MAP kinase p38-alpha Deposited 2019-09-01 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 3 CL CHLORIDE ION × 2 LOW (5~{S},7~{R})-3-azanyladamantan-1-ol × 3 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M calcium acetate, 0.1M MES pH6.0
|
Resolution 1.38 Å R-free 0.225 |
| 6Y4T Crystal structure of p38 in complex with SR63. Deposited 2020-02-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | O8W 5-azanyl-~{N}-[[4-[[(2~{S})-1-[[(2~{S})-butan-2-yl]amino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 7 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；12% PEG Smear Medium, 0.1M MES pH 6.0
|
Resolution 1.98 Å R-free 0.251 |
| 6Y4U Crystal structure of p38 in complex with SR65 Deposited 2020-02-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | O98 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pentan-3-ylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 4 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；277.15 K；17.5% PEG Smear Medium, 0.1M MES pH 6.2
|
Resolution 1.86 Å R-free 0.241 |
| 6Y4W Crystal structure of p38 in complex with SR69 Deposited 2020-02-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | O8T 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(cyclohexylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 5 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277.15 K；25% PEG Smear Broad, 0.1M MES pH 6.0
|
Resolution 1.86 Å R-free 0.233 |
| 6Y4X Crystal structure of p38 in complex with SR72 Deposited 2020-02-23 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 7 O8Q 5-azanyl-~{N}-[[4-[[(2~{S})-1-[2-(4-chlorophenyl)ethylamino]-4-cyclohexyl-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；277.15 K；12% PEG Smear Medium, 0.1M MES pH 6.2
|
Resolution 1.60 Å R-free 0.204 |
| 6Y6V p38a bound with MCP-81 Deposited 2020-02-27 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | OE5 5-azanyl-~{N}-[[4-[[5-~{tert}-butyl-2-(4-methylphenyl)pyrazol-3-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；15% MWW PegSmear
0.1 M MES
|
Resolution 2.10 Å R-free 0.304 |
| 6Y7W Fragment KCL_1337 in complex with MAP kinase p38-alpha Deposited 2020-03-02 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 OFW (2~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-4-[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonyl-2-methyl-morpholine-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M
REMARK 280 CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.39 Å R-free 0.219 |
| 6Y7X Fragment KCL_771 in complex with MAP kinase p38-alpha Deposited 2020-03-02 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 OFQ (2-azanyl-2-adamantyl)methanol × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.45 Å R-free 0.229 |
| 6Y7Y Fragments KCL_771 and KCL_802 in complex with MAP kinase p38-alpha Deposited 2020-03-02 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 OFQ (2-azanyl-2-adamantyl)methanol × 1 LOT 6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridine-3-sulfonamide × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.51 Å R-free 0.248 |
| 6Y7Z Fragment KCL_914 in complex with MAP kinase p38-alpha Deposited 2020-03-02 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | OG2 1-(1-adamantyl)-3-ethyl-guanidine × 1 SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.35 Å R-free 0.221 |
| 6Y80 Fragment KCL_916 in complex with MAP kinase p38-alpha Deposited 2020-03-02 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | OFZ 1-(2-adamantylmethyl)-3-ethyl-guanidine × 1 SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.24 Å R-free 0.225 |
| 6Y81 Fragment KCL_1088 in complex with MAP kinase p38-alpha Deposited 2020-03-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 6 CL CHLORIDE ION × 2 DMS DIMETHYL SULFOXIDE × 1 EDO 1,2-ETHANEDIOL × 1 OG5 (3~{R})-~{N}-[(2-azanyl-2-adamantyl)methyl]-3-[[6-[2,5-bis(oxidanylidene)pyrrolidin-1-yl]pyridin-3-yl]sulfonylamino]-3-phenyl-propanamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.54 Å R-free 0.216 |
| 6Y82 Fragment KCL_804 in complex with MAP kinase p38-alpha Deposited 2020-03-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 308 (3S,5S,7S)-tricyclo[3.3.1.1~3,7~]decan-1-amine × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.44 Å R-free 0.243 |
| 6Y85 Fragment KCL_1410 in complex with MAP kinase p38-alpha Deposited 2020-03-03 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | OG8 1-(1-adamantylmethyl)guanidine × 1 SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 4 CL CHLORIDE ION × 1 SO4 SULFATE ION × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.58 Å R-free 0.233 |
| 6Y8H Novel p38-alpha crystal lattice with highly exposed p38/TAB1 non-canonical PPI surface. Deposited 2020-03-05 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 5 CL CHLORIDE ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.37 Å R-free 0.240 |
| 6YCU Fragment KCL_K777 in complex with MAP kinase p38-alpha Deposited 2020-03-19 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 3 OKZ 4-[2,5-bis(oxidanylidene)pyrrol-1-yl]-~{N}-propyl-benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.35 Å R-free 0.253 |
| 6YCW Fragment KCL_K767 in complex with MAP kinase p38-alpha Deposited 2020-03-19 | Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Mutation：C162S | SB4 4-(4-FLUOROPHENYL)-1-(4-PIPERIDINYL)-5-(2-AMINO-4-PYRIMIDINYL)-IMIDAZOLE × 1 CA CALCIUM ION × 3 OL8 ~{N}-[3-[2,5-bis(oxidanylidene)pyrrol-1-yl]phenyl]furan-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；291 K；15% PEG400, 5% PEG550-MME, 0.1M CALCIUM ACETATE, 0.1M MES PH6.0
|
Resolution 1.34 Å R-free 0.251 |
| 6YJC Crystal structure of p38alpha in complex with SR154 Deposited 2020-04-02 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | OSZ 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-piperazin-1-yl-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；15% medium MW PEG SMEAR, 0.1 M MES, pH 6.0
|
Resolution 1.74 Å R-free 0.237 |
| 6YK7 Crystal structure of p38 in complex with SR43 Deposited 2020-04-05 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | OU2 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-(ethylamino)-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 8 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；297.15 K；22.5% PEG Smear Medium, 0.1M MES pH 6.0
|
Resolution 1.90 Å R-free 0.235 |
| 6ZWR p38a bound with SR92 Deposited 2020-07-28 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | OEB 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-oxidanylidene-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 EDO 1,2-ETHANEDIOL × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；278 K；15% MMW PegSmear
0.1 M MES
|
Resolution 1.90 Å R-free 0.225 |
| 7BDO MAPK14 bound with SR302 Deposited 2020-12-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | TBK ~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.2；277 K；22,5% MMW PgSmear 0.1M MES
|
Resolution 2.70 Å R-free 0.287 |
| 7BDQ MAPK14 bound with SR300 Deposited 2020-12-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | TJZ ~{N}-[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide × 1 EDO 1,2-ETHANEDIOL × 2 MES 2-(N-MORPHOLINO)-ETHANESULFONIC ACID × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；277 K；14% HMW PgSmear, 0.1M MES
|
Resolution 2.75 Å R-free 0.262 |
| 7BE4 Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR159 Deposited 2020-12-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | TK5 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；20% MMW PEG smear, 0.1M MES pH 6.5
|
Resolution 2.10 Å R-free 0.268 |
| 7BE5 Crystal structure of MAP kinase p38 alpha in complex with inhibitor SR276 Deposited 2020-12-22 | Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–360（360 aa）
|
Not recorded | EDO 1,2-ETHANEDIOL × 2 TKB 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；277 K；17.5% MMW PEG smear, 0.1M MES 6.0
|
Resolution 1.80 Å R-free 0.222 |
| 7PVU Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 Deposited 2021-10-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
1–359（359 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；27% PEG 3350, 0,1M BIS-TRIS pH 6.8
|
Resolution 2.15 Å R-free 0.239 |
| 7PVU Crystal structure of p38alpha C162S in complex with CAS2094511-69-8, P 1 21 1 Deposited 2021-10-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 2 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain B
1–359（359 aa）
|
Not recorded | 8DI N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)-2-fluorobenzene-1-sulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；27% PEG 3350, 0,1M BIS-TRIS pH 6.8
|
Resolution 2.15 Å R-free 0.239 |
| 7Z6I Crystal structure of p38alpha C162S in complex with SB20358 and CAS 2094667-81-7 (behind catalytic site; Y35 in), P 21 21 21 Deposited 2022-03-11 | Different construct Different mutation/modification Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
1–359（359 aa）
|
Mutation：C162S | IIM 4-[4-(4-fluorophenyl)-2-[4-[methyl(oxidanyl)-$l^{3}-sulfanyl]phenyl]-1~{H}-imidazol-5-yl]pyridine × 1 87B N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6；293 K；0.087 M Ca Acetate
0.1M MES pH 6.0
7.1% PEG 550MME
|
Resolution 2.25 Å R-free 0.248 |
| 7Z9T Crystal structure of p38alpha C162S in complex with ATPgS and CAS 2094667-81-7 (in catalytic site, Y35 out), P 1 21 1 Deposited 2022-03-21 | Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric |
Chain AAA
1–359（359 aa）
Chain BBB
1–359（359 aa）
|
Mutation：C162S Mutation：C162S | 87B N-(2-cyclobutyl-1H-1,3-benzodiazol-5-yl)benzenesulfonamide × 2 ATP ADENOSINE-5'-TRIPHOSPHATE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 6.8；293 K；27.5% PEG3350,
0.1M BIS-TRIS pH 6.8
|
Resolution 2.60 Å R-free 0.254 |
| 8ACM Crystal structure of WT p38alpha Deposited 2022-07-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
1–359（359 aa）
|
Not recorded | MG MAGNESIUM ION × 3 SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1,M HEPES pH 7.5, 25,%w/v PEG 3350
|
Resolution 2.14 Å R-free 0.244 |
| 8ACO Crystal structure of WT p38alpha Deposited 2022-07-05 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain AAA
1–359（359 aa）
|
Not recorded | SB2 4-[5-(4-FLUORO-PHENYL)-2-(4-METHANESULFINYL-PHENYL)-3H-IMIDAZOL-4-YL]-PYRIDINE × 1 MG MAGNESIUM ION × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP；pH 7；277 K；0.1M MAGNESIUM CHLORIDE HEXAHYDRATE,
0.1,M HEPES pH 7, 15 %w/v PEG 4000
|
Resolution 2.65 Å R-free 0.278 |
| 8EFJ A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2022-09-08 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 WHQ (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
|
Resolution 2.31 Å R-free 0.223 |
| 8VMH A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2024-01-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 A1ACT (4P)-4-[6-fluoro-5-(2-methoxyanilino)-1H-indazol-1-yl]-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
|
Resolution 2.46 Å R-free 0.263 |
| 8VMM A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2024-01-13 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 A1ACP (4P)-4-[6-fluoro-5-(2-methoxyanilino)-1H-indazol-1-yl]-N-(oxetan-3-yl)thiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
|
Resolution 2.40 Å R-free 0.263 |
| 8VT6 A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2024-01-25 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | BOG octyl beta-D-glucopyranoside × 2 WHQ (4P)-4-[5-(2-chloro-6-fluoroanilino)-6-(methoxymethyl)-1H-indazol-1-yl]-N-methylthiophene-2-carboxamide × 1 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
|
Resolution 2.31 Å R-free 0.216 |
| 8VWM A structural study of selectivity mechanisms for JNK3 and p38 alpha with indazole scaffold probing compounds Deposited 2024-02-01 | Different construct Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric |
Chain A
2–360（359 aa）
|
Not recorded | WHE (4P)-4-{6-[(azetidin-1-yl)methyl]-5-(2-chloro-6-fluoroanilino)-1H-indazol-1-yl}-N-methylthiophene-2-carboxamide × 1 BOG octyl beta-D-glucopyranoside × 2 |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION；pH 6.5；296 K；PEG 4000, Na cacodylate, n-octyl-b-D-glucoside (b-OG)
|
Resolution 1.94 Å R-free 0.222 |
| 8YP8 Structure of the p38alpha-pepHePTPm(16-31)(V31C ) complex Deposited 2024-03-15 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–360（360 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7.8；295 K；0.1 M HEPES pH 7.8
0.6-0.8 M Sodium Citrate
|
Resolution 2.14 Å R-free 0.216 |
| 8YPE The crystal structure of inactive p38 complexed with a ATF2 from 46 to 80 Deposited 2024-03-16 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–360（360 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；20% PEG 3350, 0.2M sodium citrate
|
Resolution 1.95 Å R-free 0.225 |
| 8YPF The crystal structure of inactive p38 complexed with a ATF2 from 46 to 90 Deposited 2024-03-16 | Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics | Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric |
Chain A
1–360（360 aa）
|
Not recorded | No recorded non-water small molecule |
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP；pH 7；295 K；25% PEG1500,
0.1 M MMT buffer (DL-malic acid, MES monohydrate and Tris base, molar ratios 1:2:2) pH 7.0
|
Resolution 2.00 Å R-free 0.218 |
127 other PDB entries and 137 assemblies. Open the comparison page and filter oligomeric states
View Construct and Data Evidence
| UniProt name | MK14_MOUSE |
| Isoform | — |
| PDB entities | 1 |
| Chains and sequence ranges | Author chain A； PDBConstruct 2–361； UniProt 1–360 |
