6RS2
 
 | | Structure of the Bateman module of human CNNM4. | | Descriptor: | Metal transporter CNNM4 | | Authors: | Corral-Rodriguez, M.A, Stuiver, M, Gomez-Garcia, I, Oyenarte, I, Gimenez, P, Ereno-Orbea, J, Diercks, T, Muller, D, Martinez-Cruz, L.A. | | Deposit date: | 2019-05-21 | | Release date: | 2020-07-15 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.694 Å) | | Cite: | Structural Insights into the Intracellular Region of the Human Magnesium Transport Mediator CNNM4.
Int J Mol Sci, 20, 2019
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6RPU
 | | Structure of the ternary complex of the IMPDH enzyme from Ashbya gossypii bound to the dinucleoside polyphosphate Ap5G and GDP | | Descriptor: | ACETATE ION, GUANOSINE-5'-DIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase, ... | | Authors: | Buey, R.M, Fernandez-Justel, D, Revuelta, J.L. | | Deposit date: | 2019-05-14 | | Release date: | 2019-08-28 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.11 Å) | | Cite: | The Bateman domain of IMP dehydrogenase is a binding target for dinucleoside polyphosphates.
J.Biol.Chem., 294, 2019
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6RFU
 | | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of ATP and GMP as genuine co-factors | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase | | Authors: | Nass, K, Redecke, L, Perbandt, M, Yefanov, O, Gabdulkhakov, A, Duszenko, M, Chapman, H.N, Betzel, C. | | Deposit date: | 2019-04-16 | | Release date: | 2020-02-19 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | In cellulo crystallization of Trypanosoma brucei IMP dehydrogenase enables the identification of genuine co-factors.
Nat Commun, 11, 2020
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6N7E
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6MN6
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6LK4
 | | Crystal structure of GMP reductase from Trypanosoma brucei in complex with guanosine 5'-triphosphate | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Guanosine 5'-monophosphate Reductase, PHOSPHATE ION | | Authors: | Mase, H, Otani, T, Imamura, A, Nishimura, S, Inui, T. | | Deposit date: | 2019-12-18 | | Release date: | 2020-03-18 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.503 Å) | | Cite: | Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
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6JL8
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6JIG
 | | Crystal structure of GMP reductase C318A from Trypanosoma brucei in complex with guanosine 5'-monophosphate | | Descriptor: | GMP reductase, GUANOSINE-5'-MONOPHOSPHATE, POTASSIUM ION | | Authors: | Mase, H, Imamura, A, Nishimura, S, Inui, T. | | Deposit date: | 2019-02-21 | | Release date: | 2020-02-26 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.903 Å) | | Cite: | Allosteric regulation accompanied by oligomeric state changes of Trypanosoma brucei GMP reductase through cystathionine-beta-synthase domain.
Nat Commun, 11, 2020
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6I0O
 | | Structure of human IMP dehydrogenase, isoform 2, bound to GTP | | Descriptor: | GUANOSINE-5'-TRIPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2, SULFATE ION | | Authors: | Buey, R.M, Fernandez-Justel, D, Revuelta, J.L. | | Deposit date: | 2018-10-26 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.623 Å) | | Cite: | A Nucleotide-Dependent Conformational Switch Controls the Polymerization of Human IMP Dehydrogenases to Modulate their Catalytic Activity.
J. Mol. Biol., 431, 2019
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6I0M
 | | Structure of human IMP dehydrogenase, isoform 2, bound to GDP | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, Inosine-5'-monophosphate dehydrogenase 2, ... | | Authors: | Buey, R.M, Fernandez-Justel, D, Revuelta, J.L. | | Deposit date: | 2018-10-26 | | Release date: | 2019-01-30 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (2.567 Å) | | Cite: | A Nucleotide-Dependent Conformational Switch Controls the Polymerization of Human IMP Dehydrogenases to Modulate their Catalytic Activity.
J. Mol. Biol., 431, 2019
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6H1W
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6GK9
 | | Inhibited structure of IMPDH from Pseudomonas aeruginosa | | Descriptor: | (5~{S})-7-azanyl-5-(4-chlorophenyl)-2,4-bis(oxidanylidene)-1,5-dihydropyrano[2,3-d]pyrimidine-6-carbonitrile, Inosine-5'-monophosphate dehydrogenase, SULFATE ION | | Authors: | Labesse, G, Alexandre, T, Haouz, A, Munier-Lehmann, H. | | Deposit date: | 2018-05-18 | | Release date: | 2019-02-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.54 Å) | | Cite: | First-in-class allosteric inhibitors of bacterial IMPDHs.
Eur J Med Chem, 167, 2019
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6GJV
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6E4W
 | | Structure of AMPK bound to activator | | Descriptor: | 1-O-(4,6-difluoro-5-{4-[(2S)-oxan-2-yl]phenyl}-1H-indole-3-carbonyl)-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Calabrese, M.F, Kurumbail, R.G. | | Deposit date: | 2018-07-18 | | Release date: | 2018-08-08 | | Last modified: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (3.35 Å) | | Cite: | Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK).
J. Med. Chem., 61, 2018
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6E4U
 | | Structure of AMPK bound to activator | | Descriptor: | 1-O-{6-chloro-5-[6-(dimethylamino)-2-methoxypyridin-3-yl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Calabrese, M.F, Kurumbail, R.G. | | Deposit date: | 2018-07-18 | | Release date: | 2018-08-08 | | Last modified: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (3.27 Å) | | Cite: | Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK).
J. Med. Chem., 61, 2018
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6E4T
 | | Structure of AMPK bound to activator | | Descriptor: | 1-O-{6-chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carbonyl}-beta-D-glucopyranuronic acid, 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, ... | | Authors: | Calabrese, M.F, Kurumbail, R.G. | | Deposit date: | 2018-07-18 | | Release date: | 2018-08-08 | | Last modified: | 2018-09-05 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Acyl Glucuronide Metabolites of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1 H-indole-3-carboxylic Acid (PF-06409577) and Related Indole-3-carboxylic Acid Derivatives are Direct Activators of Adenosine Monophosphate-Activated Protein Kinase (AMPK).
J. Med. Chem., 61, 2018
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6C9J
 | | AMP-activated protein kinase bound to pharmacological activator R734 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Brunzelle, J.S, Hitoshi, Y, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.05 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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6C9H
 | | non-phosphorylated AMP-activated protein kinase bound to pharmacological activator R734 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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6C9G
 | | AMP-activated protein kinase bound to pharmacological activator R739 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1,5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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6C9F
 | | AMP-activated protein kinase bound to pharmacological activator R734 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1,5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Yan, Y, Zhou, X.E, Novick, S, Shaw, S.J, Li, Y, Hitoshi, Y, Brunzelle, J.S, Griffin, P.R, Xu, H.E, Melcher, K. | | Deposit date: | 2018-01-26 | | Release date: | 2018-11-28 | | Last modified: | 2019-12-25 | | Method: | X-RAY DIFFRACTION (2.924 Å) | | Cite: | Structures of AMP-activated protein kinase bound to novel pharmacological activators in phosphorylated, non-phosphorylated, and nucleotide-free states.
J. Biol. Chem., 294, 2019
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6B2E
 | | Structure of full length human AMPK (a2b2g1) in complex with a small molecule activator SC4. | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S. | | Deposit date: | 2017-09-19 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
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6B1U
 | | Structure of full-length human AMPK (a2b1g1) in complex with a small molecule activator SC4 | | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, 5'-AMP-activated protein kinase subunit gamma-1, ... | | Authors: | Ngoei, K.R.W, Langendorf, C.G, Ling, N.X.Y, Hoque, A, Johnson, S, Camerino, M.C, Walker, S.R, Bozikis, Y.E, Dite, T.A, Ovens, A.J, Smiles, W.J, Jacobs, R, Huang, H, Parker, M.W, Scott, J.W, Rider, M.H, Kemp, B.E, Foitzik, R.C, Baell, J.B, Oakhill, J.S. | | Deposit date: | 2017-09-19 | | Release date: | 2018-04-25 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.77 Å) | | Cite: | Structural Determinants for Small-Molecule Activation of Skeletal Muscle AMPK alpha 2 beta 2 gamma 1 by the Glucose Importagog SC4.
Cell Chem Biol, 25, 2018
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5YZ2
 | | the cystathionine-beta-synthase (CBS) domain of magnesium and cobalt efflux protein CorC in complex with both C2'- and C3'-endo AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, Magnesium and cobalt efflux protein CorC | | Authors: | Feng, N, Qi, C, Li, D.F, Wang, D.C. | | Deposit date: | 2017-12-12 | | Release date: | 2018-05-30 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | The C2'- and C3'-endo equilibrium for AMP molecules bound in the cystathionine-beta-synthase domain.
Biochem. Biophys. Res. Commun., 497, 2018
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5X9H
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5X9G
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