|
2UV4
Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP
Deposited 2007-03-09
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
182–325(144 aa)
Fragment:CBS 3 AND 4 FRAGMENT, RESIDUES 182-325
|
Not recorded
|
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8;pH 8.00
|
Resolution 1.33 Å
R-free 0.207
|
|
2UV5
Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP
Deposited 2007-03-09
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
182–325(144 aa)
Fragment:CBS 3 AND 4 FRAGMENT, RESIDUES 182-325
|
Not recorded
|
AMZ AMINOIMIDAZOLE 4-CARBOXAMIDE RIBONUCLEOTIDE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8;pH 8.00
|
Resolution 1.69 Å
R-free 0.227
|
|
2UV6
Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP
Deposited 2007-03-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
182–325(144 aa)
Fragment:CBS 3 AND 4 FRAGMENT, RESIDUES 182-325
|
Mutation:YES
|
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 8;pH 8.00
|
Resolution 2.00 Å
R-free 0.247
|
|
2UV7
Crystal Structure of a CBS domain pair from the regulatory gamma1 subunit of human AMPK in complex with AMP
Deposited 2007-03-09
|
Different construct
Different mutation/modification
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein homooligomer
Homooligomer;Protein × 2
PDB declaration: dimeric
|
Chain A
182–325(144 aa)
Fragment:CBS 3 AND 4 FRAGMENT, RESIDUES 182-325
|
Mutation:YES
|
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
mmCIF provides none of the parsed conditions
|
Resolution 2.00 Å
R-free 0.230
|
|
4CFE
Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole derivative (991)
Deposited 2013-11-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain F
1–331(331 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
992 5-[[6-chloranyl-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;CRYSTALS WERE GROWN BY THE HANGING DROP METHOD WITH RESERVOIR SOLUTION CONTAINING 13% PEG3350, 0.1M MGCL2, 1% GLUCOSE, 0.15% CAPB IN 0.1M IMIDAZOLE AT PH 6.2.
|
Resolution 3.02 Å
R-free 0.253
|
|
4CFE
Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole derivative (991)
Deposited 2013-11-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain E
1–331(331 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
992 5-[[6-chloranyl-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;CRYSTALS WERE GROWN BY THE HANGING DROP METHOD WITH RESERVOIR SOLUTION CONTAINING 13% PEG3350, 0.1M MGCL2, 1% GLUCOSE, 0.15% CAPB IN 0.1M IMIDAZOLE AT PH 6.2.
|
Resolution 3.02 Å
R-free 0.253
|
|
4CFF
Structure of full length human AMPK in complex with a small molecule activator, a thienopyridone derivative (A-769662)
Deposited 2013-11-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain F
1–331(331 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile × 1
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;CRYSTALS WERE GROWN BY THE HANGING DROP METHOD WITH RESERVOIR SOLUTION CONTAINING 13% PEG3350, 0.1M MGCL2, 1% GLUCOSE, 0.15% CAPB IN 0.1M IMIDAZOLE AT PH 6.2.
|
Resolution 3.92 Å
R-free 0.264
|
|
4CFF
Structure of full length human AMPK in complex with a small molecule activator, a thienopyridone derivative (A-769662)
Deposited 2013-11-14
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain E
1–331(331 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile × 1
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;CRYSTALS WERE GROWN BY THE HANGING DROP METHOD WITH RESERVOIR SOLUTION CONTAINING 13% PEG3350, 0.1M MGCL2, 1% GLUCOSE, 0.15% CAPB IN 0.1M IMIDAZOLE AT PH 6.2.
|
Resolution 3.92 Å
R-free 0.264
|
|
4RER
Crystal structure of the phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex bound to AMP and cyclodextrin
Deposited 2014-09-23
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain G
24–327(304 aa)
Fragment:Human AMPK gamma1 subunit [S24-G327]
|
Not recorded
|
STU STAUROSPORINE × 1
EPE 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, SITTING DROP;pH 7.8;293 K;12% PEG 4000,0.1 M HEPES, pH7.8, 10% 2-propanol (v/v) and 0.19 mM 7-cyclohexyl-1-heptyl-D-maltoside, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 4.05 Å
R-free 0.260
|
|
4REW
Crystal structure of the non-phosphorylated human alpha1 beta2 gamma1 holo-AMPK complex
Deposited 2014-09-24
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain G
24–327(304 aa)
Fragment:Human AMPK gamma1 subunit [S24-G327]
|
Not recorded
|
STU STAUROSPORINE × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
pH 6.8;293 K;0.1 M N-acetamido-iminodiacetic acid, pH 6.8, 9% 2-methyl-2,4-pentanediol, and 11.5 mM C-HEGA, VAPOR DIFFUSION, SITTING DROP, temperature 293K
|
Resolution 4.58 Å
R-free 0.259
|
|
4ZHX
Novel binding site for allosteric activation of AMPK
Deposited 2015-04-27
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain E
2–331(330 aa)
|
Not recorded
|
4O7 (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol × 1
C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile × 1
C2Z 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.2;277 K;8 % PEG 3350, 0.1 M MgCl2, 1.0 % glucose, 0.001 % cocamidopropyl betaine, 0.1 M imidazole
|
Resolution 2.99 Å
R-free 0.243
|
|
4ZHX
Novel binding site for allosteric activation of AMPK
Deposited 2015-04-27
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain F
2–331(330 aa)
|
Not recorded
|
4O7 (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol × 1
C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile × 1
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.2;277 K;8 % PEG 3350, 0.1 M MgCl2, 1.0 % glucose, 0.001 % cocamidopropyl betaine, 0.1 M imidazole
|
Resolution 2.99 Å
R-free 0.243
|
|
5EZV
X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)
Deposited 2015-11-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Insufficient information
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain E
2–331(330 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile × 1
C2Z 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.2;277 K;8 % PEG 3350, 0.1 M MgCl2, 1.0 % glucose, 0.001 % cocamidopropyl betaine, 0.1 M imidazole
|
Resolution 2.99 Å
R-free 0.245
|
|
5EZV
X-ray crystal structure of AMP-activated protein kinase alpha-2/alpha-1 RIM chimaera (alpha-2(1-347)/alpha-1(349-401)/alpha-2(397-end) beta-1 gamma-1) co-crystallized with C2 (5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid)
Deposited 2015-11-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Insufficient information
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain F
2–331(330 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
C1V 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile × 1
C2Z 5-(5-hydroxyl-isoxazol-3-yl)-furan-2-phosphonic acid × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.2;277 K;8 % PEG 3350, 0.1 M MgCl2, 1.0 % glucose, 0.001 % cocamidopropyl betaine, 0.1 M imidazole
|
Resolution 2.99 Å
R-free 0.245
|
|
5ISO
STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A BENZIMIDAZOLE DERIVATIVE (991)
Deposited 2016-03-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain E
1–331(331 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
992 5-[[6-chloranyl-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.2;277 K;12% PEG3350, 300 mM Guanidine in 100mM PIPES buffer at pH 7.2.
|
Resolution 2.63 Å
R-free 0.230
|
|
5ISO
STRUCTURE OF FULL LENGTH HUMAN AMPK (NON-PHOSPHORYLATED AT T-LOOP) IN COMPLEX WITH A SMALL MOLECULE ACTIVATOR, A BENZIMIDAZOLE DERIVATIVE (991)
Deposited 2016-03-15
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain F
1–331(331 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
992 5-[[6-chloranyl-5-(1-methylindol-5-yl)-1H-benzimidazol-2-yl]oxy]-2-methyl-benzoic acid × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 7.2;277 K;12% PEG3350, 300 mM Guanidine in 100mM PIPES buffer at pH 7.2.
|
Resolution 2.63 Å
R-free 0.230
|
|
6B1U
Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4
Deposited 2017-09-19
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain E
2–331(330 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
CG7 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid × 1
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.2;277 K;8% PEG 3350, 0.1 M MgCl2, 1.0% glucose, 0.001% cocamidopropyl betaine and 0.1 M imidazole.
|
Resolution 2.77 Å
R-free 0.226
|
|
6B1U
Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4
Deposited 2017-09-19
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain F
2–331(330 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
CG7 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid × 1
IMD IMIDAZOLE × 1
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.2;277 K;8% PEG 3350, 0.1 M MgCl2, 1.0% glucose, 0.001% cocamidopropyl betaine and 0.1 M imidazole.
|
Resolution 2.77 Å
R-free 0.226
|
|
6B2E
Structure of full length human AMPK (a2b2g1) in complex with a small molecule activator SC4.
Deposited 2017-09-19
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain C
2–331(330 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
CG7 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-imidazo[4,5-b]pyridin-2-yl]oxy}-2-methylbenzoic acid × 1
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6;277 K;6-8% PEG 3350, 0.1 M MgCl2, 0.001% cocamidopropyl betaine and 0.1 M imidazole
|
Resolution 3.80 Å
R-free 0.277
|
|
6C9F
AMP-activated protein kinase bound to pharmacological activator R734
Deposited 2018-01-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain C
1–331(331 aa)
|
Not recorded
|
R34 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide × 1
STU STAUROSPORINE × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.1 M tri-sodium acetate pH 5.6, 0.2 M ammonium acetate, 15% w/v PEG 4000
|
Resolution 2.92 Å
R-free 0.245
|
|
6C9G
AMP-activated protein kinase bound to pharmacological activator R739
Deposited 2018-01-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain C
1–331(331 aa)
|
Not recorded
|
R93 5-{[6-chloro-5-(2'-hydroxy[1,1'-biphenyl]-4-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide × 1
STU STAUROSPORINE × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.1 M tri-sodium acetate pH 5.6, 0.2 M ammonium acetate, 15% w/v PEG 4000
|
Resolution 2.70 Å
R-free 0.240
|
|
6C9H
non-phosphorylated AMP-activated protein kinase bound to pharmacological activator R734
Deposited 2018-01-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain C
1–331(331 aa)
|
Not recorded
|
R34 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide × 1
STU STAUROSPORINE × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.2 M magnesium formate
|
Resolution 2.65 Å
R-free 0.242
|
|
6C9J
AMP-activated protein kinase bound to pharmacological activator R734
Deposited 2018-01-26
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain C
1–325(325 aa)
|
Not recorded
|
R34 5-{[6-chloro-5-(1-methyl-1H-indol-5-yl)-1H-benzimidazol-2-yl]oxy}-N-hydroxy-2-methylbenzamide × 1
STU STAUROSPORINE × 1
AMP ADENOSINE MONOPHOSPHATE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.1 M tri-ammonium citrate pH7, 12% w/v PEG 3350
|
Resolution 3.05 Å
R-free 0.225
|
|
7JHG
Cryo-EM structure of ATP-bound fully inactive AMPK in complex with Dorsomorphin (Compound C) and Fab-nanobody
Deposited 2020-07-20
|
Different ligand/ion
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 7
PDB declaration: heptameric
|
Chain G
24–327(304 aa)
|
Not recorded
|
TAK 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine × 1
ATP ADENOSINE-5'-TRIPHOSPHATE × 1
ADP ADENOSINE-5'-DIPHOSPHATE × 1
AMP ADENOSINE MONOPHOSPHATE × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.47 Å
|
|
7JIJ
ATP-bound AMP-activated protein kinase
Deposited 2020-07-23
|
Different oligomeric state
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 4
PDB declaration: tetrameric
|
Chain G
24–327(304 aa)
|
Not recorded
|
ATP ADENOSINE-5'-TRIPHOSPHATE × 1
AMP ADENOSINE MONOPHOSPHATE × 1
ADP ADENOSINE-5'-DIPHOSPHATE × 1
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;293 K;0.2 M tri-lithium citrate,10% w/v PEG3350, pH7.5,0.01 M barium chloride
|
Resolution 5.50 Å
R-free 0.323
|
|
7M74
ATP-bound AMP-activated protein kinase
Deposited 2021-03-26
|
Different ligand/ion
Different structure-quality metrics
|
Assembly 1
Other combination
Heteromer;Protein × 7
PDB declaration: heptameric
|
Chain G
24–327(304 aa)
|
Not recorded
|
TAK 6-[4-(2-piperidin-1-ylethoxy)phenyl]-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine × 1
ATP ADENOSINE-5'-TRIPHOSPHATE × 1
ADP ADENOSINE-5'-DIPHOSPHATE × 1
AMP ADENOSINE MONOPHOSPHATE × 1
|
ELECTRON MICROSCOPY
cryo-EM buffer
pH 8
cryo-EM vitrification conditions
Cryogen ETHANE
|
Resolution 3.93 Å
|
|
7MYJ
Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011
Deposited 2021-05-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain E
2–331(330 aa)
|
Not recorded
|
4O7 (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol × 1
ZQV 5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid × 1
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.2;277.15 K;8-10% PEG3350, 1% glucose, 0.1 M magnesium chloride, 0.1 M imidazole, 0.0005-0.003% CAPB
|
Resolution 2.95 Å
R-free 0.243
|
|
7MYJ
Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011
Deposited 2021-05-21
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain F
2–331(330 aa)
|
Not recorded
|
4O7 (5S,6R,7R,9R,13cR,14R,16aS)-6-methoxy-5-methyl-7-(methylamino)-6,7,8,9,14,15,16,16a-octahydro-5H,13cH-5,9-epoxy-4b,9a,1 5-triazadibenzo[b,h]cyclonona[1,2,3,4-jkl]cyclopenta[e]-as-indacen-14-ol × 1
ZQV 5-({5-[(4'R)-4'-acetamido-2',3',4',5'-tetrahydro[1,1'-biphenyl]-4-yl]-6-chloro-1H-imidazo[4,5-b]pyridin-2-yl}oxy)-2-methylbenzoic acid × 1
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION, HANGING DROP;pH 6.2;277.15 K;8-10% PEG3350, 1% glucose, 0.1 M magnesium chloride, 0.1 M imidazole, 0.0005-0.003% CAPB
|
Resolution 2.95 Å
R-free 0.243
|
|
8BIK
Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455
Deposited 2022-11-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 1
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain C
1–331(331 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
QTN (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol × 1
AMP ADENOSINE MONOPHOSPHATE × 2
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 7.2;293 K;AMPK a2b1g1 (5 mg/ml: 38 uM) was combined with AMP (4-fold excess), staurosporine (1.2-fold excess) and activator 455 (3-fold excess): and crystallised at 20 C by mixing 2 ul of the protein solution with 1 ul of 8 % PEG3350, 0.3 M guanidine hydrochloride, 0.1 M PIPES buffer pH 7.2.
|
Resolution 2.50 Å
R-free 0.215
|
|
8BIK
Crystal structure of human AMPK heterotrimer in complex with allosteric activator C455
Deposited 2022-11-02
|
Different construct
Different oligomeric state
Different ligand/ion
Different experimental method
Different experimental conditions
Different structure-quality metrics
|
Assembly 2
Protein heterocomplex
Heteromer;Protein × 3
PDB declaration: trimeric
|
Chain F
1–331(331 aa)
|
Not recorded
|
STU STAUROSPORINE × 1
QTN (3~{R},3~{a}~{R},6~{R},6~{a}~{R})-6-[[6-chloranyl-5-[4-[4-[[dimethyl(oxidanyl)-$l^{4}-sulfanyl]amino]phenyl]phenyl]-3~{H}-imidazo[4,5-b]pyridin-2-yl]oxy]-2,3,3~{a},5,6,6~{a}-hexahydrofuro[3,2-b]furan-3-ol × 1
AMP ADENOSINE MONOPHOSPHATE × 3
|
X-RAY DIFFRACTION
X-ray crystallization conditions
VAPOR DIFFUSION;pH 7.2;293 K;AMPK a2b1g1 (5 mg/ml: 38 uM) was combined with AMP (4-fold excess), staurosporine (1.2-fold excess) and activator 455 (3-fold excess): and crystallised at 20 C by mixing 2 ul of the protein solution with 1 ul of 8 % PEG3350, 0.3 M guanidine hydrochloride, 0.1 M PIPES buffer pH 7.2.
|
Resolution 2.50 Å
R-free 0.215
|