8G9B
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![BU of 8g9b by Molmil](/molmil-images/mine/8g9b) | Human IMPDH2 mutant - L245P, treated with GTP, ATP, IMP, and NAD+; compressed filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-21 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (3 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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8G8F
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![BU of 8g8f by Molmil](/molmil-images/mine/8g8f) | Human IMPDH2 mutant - L245P, treated with ATP, IMP, and NAD+; extended filament segment reconstruction | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase 2, ... | Authors: | O'Neill, A.G, Kollman, J.M. | Deposit date: | 2023-02-17 | Release date: | 2023-04-19 | Last modified: | 2023-08-09 | Method: | ELECTRON MICROSCOPY (2.6 Å) | Cite: | Neurodevelopmental disorder mutations in the purine biosynthetic enzyme IMPDH2 disrupt its allosteric regulation. J.Biol.Chem., 299, 2023
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7M74
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![BU of 7m74 by Molmil](/molmil-images/mine/7m74) | ATP-bound AMP-activated protein kinase | Descriptor: | 5'-AMP-activated protein kinase catalytic subunit alpha-1, 5'-AMP-activated protein kinase subunit beta-2, 5'-AMP-activated protein kinase subunit gamma-1, ... | Authors: | Yan, Y, Mukherjee, S, Harikumar, K.G, Strutzenberg, T, Zhou, X.E, Powell, S.K, Xu, T, Sheldon, R, Lamp, J, Brunzelle, J.S, Radziwon, K, Ellis, A, Novick, S.J, Vega, I.E, Jones, R, Miller, L.J, Xu, H.E, Griffin, P.R, Kossiakoff, A.A, Melcher, K. | Deposit date: | 2021-03-26 | Release date: | 2021-12-15 | Last modified: | 2021-12-22 | Method: | ELECTRON MICROSCOPY (3.93 Å) | Cite: | Structure of an AMPK complex in an inactive, ATP-bound state. Science, 373, 2021
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7MYJ
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![BU of 7myj by Molmil](/molmil-images/mine/7myj) | Structure of full length human AMPK (a2b1g1) in complex with a small molecule activator MSG011 | Descriptor: | (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, 5'-AMP-activated protein kinase catalytic subunit alpha-2, 5'-AMP-activated protein kinase subunit beta-1, ... | Authors: | Ovens, A.J, Gee, Y.S, Ling, N.X.Y, Waters, N.J, Yu, D, Scott, J.W, Parker, M.W, Hoffman, N.J, Kemp, B.E, Baell, J.B, Oakhill, J.S, Langendorf, C.G. | Deposit date: | 2021-05-21 | Release date: | 2022-06-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (2.95 Å) | Cite: | Structure-function analysis of the AMPK activator SC4 and identification of a potent pan AMPK activator. Biochem.J., 479, 2022
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6C9G
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![BU of 6c9g by Molmil](/molmil-images/mine/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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3ZFH
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![BU of 3zfh by Molmil](/molmil-images/mine/3zfh) | Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase | Descriptor: | CHLORIDE ION, INOSINE 5'-MONOPHOSPHATE DEHYDROGENASE | Authors: | Rao, V.A, Shepherd, S.M, Owen, R, Hunter, W.N. | Deposit date: | 2012-12-11 | Release date: | 2013-01-16 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Structure of Pseudomonas Aeruginosa Inosine 5'-Monophosphate Dehydrogenase Acta Crystallogr.,Sect.F, 69, 2013
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6C9F
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![BU of 6c9f by Molmil](/molmil-images/mine/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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5K25
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![BU of 5k25 by Molmil](/molmil-images/mine/5k25) | |
4AF0
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![BU of 4af0 by Molmil](/molmil-images/mine/4af0) | Crystal structure of cryptococcal inosine monophosphate dehydrogenase | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE, INOSINIC ACID, MYCOPHENOLIC ACID, ... | Authors: | Valkov, E, Stamp, A, Morrow, C.A, Kobe, B, Fraser, J.A. | Deposit date: | 2012-01-15 | Release date: | 2012-10-24 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | De Novo GTP Biosynthesis is Critical for Virulence of the Fungal Pathogen Cryptococcus Neoformans Plos Pathog., 8, 2012
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5K22
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![BU of 5k22 by Molmil](/molmil-images/mine/5k22) | |
5K23
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![BU of 5k23 by Molmil](/molmil-images/mine/5k23) | |
5KQ5
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![BU of 5kq5 by Molmil](/molmil-images/mine/5kq5) | AMPK bound to allosteric activator | 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: | Calabrese, M.F, Kurumbail, R.G. | Deposit date: | 2016-07-05 | Release date: | 2016-08-17 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.41 Å) | Cite: | Discovery and Preclinical Characterization of 6-Chloro-5-[4-(1-hydroxycyclobutyl)phenyl]-1H-indole-3-carboxylic Acid (PF-06409577), a Direct Activator of Adenosine Monophosphate-activated Protein Kinase (AMPK), for the Potential Treatment of Diabetic Nephropathy. J.Med.Chem., 59, 2016
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6E4T
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![BU of 6e4t by Molmil](/molmil-images/mine/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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6E4U
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![BU of 6e4u by Molmil](/molmil-images/mine/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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6E4W
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![BU of 6e4w by Molmil](/molmil-images/mine/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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6C9H
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![BU of 6c9h by Molmil](/molmil-images/mine/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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3PC4
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![BU of 3pc4 by Molmil](/molmil-images/mine/3pc4) | |
6C9J
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![BU of 6c9j by Molmil](/molmil-images/mine/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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4CFE
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![BU of 4cfe by Molmil](/molmil-images/mine/4cfe) | Structure of full length human AMPK in complex with a small molecule activator, a benzimidazole derivative (991) | 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: | Xiao, B, Sanders, M.J, Carmena, D, Bright, N.J, Haire, L.F, Underwood, E, Patel, B.R, Heath, R.B, Walker, P.A, Hallen, S, Giordanetto, F, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2013-11-14 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.023 Å) | Cite: | Structural Basis of Ampk Regulation by Small Molecule Activators. Nat.Commun., 4, 2013
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4AVF
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![BU of 4avf by Molmil](/molmil-images/mine/4avf) | Crystal structure of Pseudomonas aeruginosa inosine 5'-monophosphate dehydrogenase | Descriptor: | INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE | Authors: | McMahon, S.A, Moynie, L, Liu, H, Duthie, F, Naismith, J.H. | Deposit date: | 2012-05-25 | Release date: | 2013-01-09 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.23 Å) | Cite: | The Aeropath Project Targeting Pseudomonas Aeruginosa: Crystallographic Studies for Assessment of Potential Targets in Early-Stage Drug Discovery Acta Crystallogr.,Sect.F, 69, 2013
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5K24
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![BU of 5k24 by Molmil](/molmil-images/mine/5k24) | |
3USB
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![BU of 3usb by Molmil](/molmil-images/mine/3usb) | Crystal Structure of Bacillus anthracis Inosine Monophosphate Dehydrogenase in the complex with IMP | Descriptor: | CHLORIDE ION, GLYCEROL, INOSINIC ACID, ... | Authors: | Kim, Y, Zhang, R, Wu, R, Gu, M, Anderson, W.F, Joachimiak, A, CSGID, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-11-23 | Release date: | 2011-12-07 | Last modified: | 2019-08-14 | Method: | X-RAY DIFFRACTION (2.38 Å) | Cite: | Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes. Biochemistry, 51, 2012
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4CFF
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![BU of 4cff by Molmil](/molmil-images/mine/4cff) | Structure of full length human AMPK in complex with a small molecule activator, a thienopyridone derivative (A-769662) | Descriptor: | 3-[4-(2-hydroxyphenyl)phenyl]-4-oxidanyl-6-oxidanylidene-7H-thieno[2,3-b]pyridine-5-carbonitrile, 5'-AMP-ACTIVATED PROTEIN KINASE CATALYTIC SUBUNIT ALPHA-2, 5'-AMP-ACTIVATED PROTEIN KINASE SUBUNIT BETA-1, ... | Authors: | Xiao, B, Sanders, M.J, Carmena, D, Bright, N.J, Haire, L.F, Underwood, E, Patel, B.R, Heath, R.B, Walker, P.A, Hallen, S, Giordanetto, F, Martin, S.R, Carling, D, Gamblin, S.J. | Deposit date: | 2013-11-14 | Release date: | 2013-12-25 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (3.924 Å) | Cite: | Structural Basis of Ampk Regulation by Small Molecule Activators. Nat.Commun., 4, 2013
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4COO
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![BU of 4coo by Molmil](/molmil-images/mine/4coo) | Crystal structure of human cystathionine beta-synthase (delta516-525) at 2.0 angstrom resolution | Descriptor: | 1,2-ETHANEDIOL, 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, ACETATE ION, ... | Authors: | McCorvie, T.J, Kopec, J, Vollamar, M, Strain-Damerell, C, Bushell, S, Bradley, A, Tallant, C, Kiyani, W, Froese, D.S, Carpenter, E.S, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W. | Deposit date: | 2014-01-29 | Release date: | 2014-03-05 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Inter-Domain Communication of Human Cystathionine Beta Synthase: Structural Basis of S-Adenosyl-L-Methionine Activation. J.Biol.Chem., 289, 2014
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3TSD
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![BU of 3tsd by Molmil](/molmil-images/mine/3tsd) | Crystal Structure of Inosine-5'-monophosphate Dehydrogenase from Bacillus anthracis str. Ames complexed with XMP | Descriptor: | D(-)-TARTARIC ACID, Inosine-5'-monophosphate dehydrogenase, SULFATE ION, ... | Authors: | Kim, Y, Makowska-Grzyska, M, Hasseman, J, Anderson, W.F, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | Deposit date: | 2011-09-13 | Release date: | 2011-10-05 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.653 Å) | Cite: | Bacillus anthracis inosine 5'-monophosphate dehydrogenase in action: the first bacterial series of structures of phosphate ion-, substrate-, and product-bound complexes. Biochemistry, 51, 2012
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