|
4D9T
Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Deposited 2012-01-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
399–740(342 aa)
Fragment:C-terminal kinase domain, UNP residues 399-740
|
Not recorded
|
0JG methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate × 1
NA SODIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 8.5;298 K;100mM Tris, pH 8.5, 25% PEG 3350, hanging drop, temperature 298K
|
Resolution 2.40 Å
R-free 0.267
|
|
4D9T
Rsk2 C-terminal Kinase Domain with inhibitor (E)-methyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Deposited 2012-01-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
399–740(342 aa)
Fragment:C-terminal kinase domain, UNP residues 399-740
|
Not recorded
|
0JG methyl (2S)-3-{4-amino-7-[(1E)-3-hydroxyprop-1-en-1-yl]-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl}-2-cyanopropanoate × 2
NA SODIUM ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 8.5;298 K;100mM Tris, pH 8.5, 25% PEG 3350, hanging drop, temperature 298K
|
Resolution 2.40 Å
R-free 0.267
|
|
4D9U
Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Deposited 2012-01-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
399–740(342 aa)
Fragment:UNP residues 399-740
|
Not recorded
|
0JH tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate × 1
NA SODIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 8.5;298 K;100mM Tris, pH 8.5, 25% PEG 3350, hanging drop, temperature 298K
|
Resolution 2.40 Å
R-free 0.276
|
|
4D9U
Rsk2 C-terminal Kinase Domain, (E)-tert-butyl 3-(4-amino-7-(3-hydroxypropyl)-5-p-tolyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)-2-cyanoacrylate
Deposited 2012-01-12
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
399–740(342 aa)
Fragment:UNP residues 399-740
|
Not recorded
|
0JH tert-butyl (2S)-3-[4-amino-7-(3-hydroxypropyl)-5-(4-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]-2-cyanopropanoate × 2
NA SODIUM ION × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
hanging drop;pH 8.5;298 K;100mM Tris, pH 8.5, 25% PEG 3350, hanging drop, temperature 298K
|
Resolution 2.40 Å
R-free 0.276
|
|
4JG6
RSK2 CTD bound to 2-cyano-3-(1H-indazol-5-yl)acrylamide
Deposited 2013-02-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
399–740(342 aa)
|
Not recorded
|
1LB (2S)-2-cyano-3-(1H-indazol-5-yl)propanamide × 1
NA SODIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7;298 K;100 mM HEPES, 50 mM Ammonium Sulfate, 7.5% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 2.60 Å
R-free 0.299
|
|
4JG7
Structure of RSK2 CTD bound to 3-(3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl)-2-cyanoacrylamide
Deposited 2013-02-28
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
399–740(342 aa)
|
Not recorded
|
1LC (2R)-2-cyano-3-[3-(1H-pyrrolo[2,3-b]pyridin-3-ylcarbonyl)phenyl]propanamide × 1
NA SODIUM ION × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7;298 K;100 mM HEPES, 50 mM Ammonium Sulfate, 7.5% PEG3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.00 Å
R-free 0.298
|
|
4JG8
Structure of RSK2 T493M CTD mutant bound to 2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-(3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl)acrylamide
Deposited 2013-02-28
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
399–740(342 aa)
|
Mutation:T493M
|
1LE (2S)-2-cyano-N-(1-hydroxy-2-methylpropan-2-yl)-3-[3-(3,4,5-trimethoxyphenyl)-1H-indazol-5-yl]propanamide × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7;298 K;100 mM HEPES, 50 mM Ammonium Sulfate, 7.5% PEG 3350, pH 7.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K
|
Resolution 3.10 Å
R-free 0.298
|
|
4NUS
Rsk2 N-terminal kinase in complex with LJH685
Deposited 2013-12-04
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
39–359(321 aa)
Fragment:N-terminal domain (UNP residues 39-359)
|
Not recorded
|
2NK 2,6-difluoro-4-{4-[4-(4-methylpiperazin-1-yl)phenyl]pyridin-3-yl}phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;12-24% PEG3350, 100 mM sodium malonate pH 5-7, microseeding, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 2.39 Å
R-free 0.231
|
|
4NW5
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 8
Deposited 2013-12-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
39–359(321 aa)
Fragment:N-terminal domain (UNP residues 39-359)
|
Not recorded
|
2NR 7-(2-fluoro-6-methoxyphenyl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;7-8 mg/mL protein mixed 1:1:0.5 with 12-24% PEG3350 plus 100 mM sodium malonate pH 5-7 and microseeds, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.94 Å
R-free 0.219
|
|
4NW6
Rsk2 N-terminal kinase in complex with 2-amino-7-substituted benzoxazole compound 27
Deposited 2013-12-05
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
39–359(321 aa)
Fragment:N-terminal domail (UNP residues 39-359)
|
Not recorded
|
2NS 7-(1H-benzimidazol-7-yl)-N-(3,4,5-trimethoxyphenyl)-1,3-benzoxazol-2-amine × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;291 K;7-8 mg/mL protein mixed 1:1:0.5 with 12-24% PEG3350 plus 100 mM sodium malonate pH 5-7 and microseeds, VAPOR DIFFUSION, HANGING DROP, temperature 291K
|
Resolution 1.74 Å
R-free 0.201
|
|
5D9K
Rsk2 N-terminal Kinase in Complex with BI-D1870
Deposited 2015-08-18
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
39–366(328 aa)
Fragment:N-terminal kinase (UNP residues 39-366)
|
Not recorded
|
584 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;291 K;20% PEG3350, 0.075 M lithium citrate
|
Resolution 2.55 Å
R-free 0.227
|
|
5D9K
Rsk2 N-terminal Kinase in Complex with BI-D1870
Deposited 2015-08-18
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
39–366(328 aa)
Fragment:N-terminal kinase (UNP residues 39-366)
|
Not recorded
|
584 (7R)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-5,7-dimethyl-8-(3-methylbutyl)-7,8-dihydropteridin-6(5H)-one × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;291 K;20% PEG3350, 0.075 M lithium citrate
|
Resolution 2.55 Å
R-free 0.227
|
|
5D9L
Rsk2 N-terminal Kinase in Complex with bis-phenol pyrazole
Deposited 2015-08-18
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
39–359(321 aa)
Fragment:N-terminal kinase (UNP residues 39-359)
|
Not recorded
|
583 4,4'-(1H-pyrazole-3,4-diyl)diphenol × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;291 K;20% PEG3350, 0.2 M lithium citrate
|
Resolution 2.15 Å
R-free 0.224
|
|
8EQ5
Crystal structure of the N-terminal kinase domain of RSK2 in complex with SPRED2 (131-160)
Deposited 2022-10-07
|
Different construct
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
46–346(301 aa)
|
Not recorded
|
QCT 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 8;293 K;30% w/v PEG 2K MME, 0.1 M Tris, pH 8.0
|
Resolution 1.80 Å
R-free 0.225
|
|
8R58
The RSK 2 N-terminal kinase domain in complex with BMF (1-19)
Deposited 2023-11-16
|
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 2
PDB declaration: dimeric
|
Chain A
39–351(313 aa)
|
Not recorded
|
QCT 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxo-4H-chromen-3-yl 6-deoxy-alpha-L-mannopyranoside × 1
GOL GLYCEROL × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 8.5;277 K;25% PEG 550, 0,1M Tris pH 8.5, 10% isopropanol, 1.25 M NaCl as reservoir
|
Resolution 2.31 Å
R-free 0.263
|
|
8XEY
The Crystal Structure of C-terminal kinase domain of RSK2 from Biortus
Deposited 2023-12-13
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
400–740(341 aa)
|
Not recorded
|
EDO 1,2-ETHANEDIOL × 1
PEG DI(HYDROXYETHYL)ETHER × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1 M Tris pH8.5, 25%PEG3,350
|
Resolution 2.65 Å
R-free 0.280
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain A
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 10
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain J
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain B
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 3
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain C
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 4
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain D
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 5
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain E
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 6
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain F
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 7
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain G
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 8
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain H
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|
|
8XFY
The Crystal Structure of RSK2 from Biortus.
Deposited 2023-12-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental conditions
Different structure-quality metrics
|
Assembly 9
Protein monomer
Monomer;Protein × 1
PDB declaration: monomeric
|
Chain I
40–359(320 aa)
|
Not recorded
|
A1LU8 2,6-bis(fluoranyl)-4-[4-(4-morpholin-4-ylphenyl)pyridin-3-yl]phenol × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;293 K;0.1M sodium malonate pH6.75, 18% PEG 3350
|
Resolution 3.20 Å
R-free 0.303
|