3TV5
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![BU of 3tv5 by Molmil](/molmil-images/mine/3tv5) | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 1 | Descriptor: | (3R)-1'-(9-ANTHRYLCARBONYL)-3-(MORPHOLIN-4-YLCARBONYL)-1,4'-BIPIPERIDINE, Acetyl-CoA carboxylase | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | Deposit date: | 2011-09-19 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion. J.Biol.Chem., 286, 2011
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3TVU
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![BU of 3tvu by Molmil](/molmil-images/mine/3tvu) | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 3 | Descriptor: | 4-({4-[(2-methylquinolin-6-yl)methyl]piperidin-1-yl}carbonyl)-2-phenylquinoline, Acetyl-CoA carboxylase | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | Deposit date: | 2011-09-20 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion. J.Biol.Chem., 286, 2011
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3TZ3
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![BU of 3tz3 by Molmil](/molmil-images/mine/3tz3) | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 2 | Descriptor: | 6-{[1-(anthracen-9-ylcarbonyl)piperidin-4-yl]methyl}-2-methylquinoline, Acetyl-CoA carboxylase | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | Deposit date: | 2011-09-26 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion. J.Biol.Chem., 286, 2011
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3TVW
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![BU of 3tvw by Molmil](/molmil-images/mine/3tvw) | Crystal Structure of the humanized carboxyltransferase domain of yeast Acetyl-coA caroxylase in complex with compound 4 | Descriptor: | Acetyl-CoA carboxylase, [4-(2H-chromen-3-ylmethyl)piperazin-1-yl]-[3-(1H-pyrazol-5-yl)phenyl]methanone | Authors: | Rajamohan, F, Marr, E, Reyes, A, Landro, J.A, Anderson, M.D, Corbett, J.W, Dirico, K.J, Harwood, J.H, Tu, M, Vajdos, F.F. | Deposit date: | 2011-09-20 | Release date: | 2011-10-19 | Last modified: | 2023-09-13 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | Structure-guided Inhibitor Design for Human Acetyl-coenzyme A Carboxylase by Interspecies Active Site Conversion. J.Biol.Chem., 286, 2011
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1D6A
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![BU of 1d6a by Molmil](/molmil-images/mine/1d6a) | STRUCTURE OF POKEWEED ANTIVIRAL PROTEIN COMPLEXED WITH GUANINE | Descriptor: | GUANINE, POKEWEED ANTIVIRAL PROTEIN | Authors: | Kurinov, I.V, Rajamohan, F, Venkatachalam, T.K, Uckun, F.M. | Deposit date: | 1999-10-12 | Release date: | 1999-12-16 | Last modified: | 2023-08-09 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | X-ray crystallographic analysis of the structural basis for the interaction of pokeweed antiviral protein with guanine residues of ribosomal RNA. Protein Sci., 8, 1999
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1LP8
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![BU of 1lp8 by Molmil](/molmil-images/mine/1lp8) | |
1LPC
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![BU of 1lpc by Molmil](/molmil-images/mine/1lpc) | |
1LPD
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![BU of 1lpd by Molmil](/molmil-images/mine/1lpd) | |
6V7N
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![BU of 6v7n by Molmil](/molmil-images/mine/6v7n) | |
5KHX
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![BU of 5khx by Molmil](/molmil-images/mine/5khx) | Crystal structure of JAK1 in complex with PF-4950736 | Descriptor: | Tyrosine-protein kinase JAK1, ~{N}-[3-[methyl(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)amino]cyclobutyl]methanesulfonamide | Authors: | Han, S, Caspers, N.L. | Deposit date: | 2016-06-16 | Release date: | 2016-11-09 | Last modified: | 2018-05-16 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Development of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system. Acta Crystallogr F Struct Biol Commun, 72, 2016
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3H0S
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![BU of 3h0s by Molmil](/molmil-images/mine/3h0s) | |
3H0Q
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![BU of 3h0q by Molmil](/molmil-images/mine/3h0q) | |
3H0J
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![BU of 3h0j by Molmil](/molmil-images/mine/3h0j) | |
3MVJ
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![BU of 3mvj by Molmil](/molmil-images/mine/3mvj) | Human cyclic AMP-dependent protein kinase PKA inhibitor complex | Descriptor: | (3R)-1-(5-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Pandit, J, Vajdos, F. | Deposit date: | 2010-05-04 | Release date: | 2010-06-02 | Last modified: | 2017-11-08 | Method: | X-RAY DIFFRACTION (2.49 Å) | Cite: | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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5KHW
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![BU of 5khw by Molmil](/molmil-images/mine/5khw) | Crystal structure of JAK1 in complex with ADP | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, Tyrosine-protein kinase JAK1 | Authors: | Han, S, Caspers, N.L. | Deposit date: | 2016-06-16 | Release date: | 2016-11-09 | Last modified: | 2018-04-18 | Method: | X-RAY DIFFRACTION (2.47 Å) | Cite: | Development of a high-throughput crystal structure-determination platform for JAK1 using a novel metal-chelator soaking system. Acta Crystallogr F Struct Biol Commun, 72, 2016
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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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8TB7
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![BU of 8tb7 by Molmil](/molmil-images/mine/8tb7) | Cryo-EM Structure of GPR61- | Descriptor: | 6-{[(3,5-difluoropyridin-4-yl)methyl]amino}-N-(4-ethoxy-6-methylpyrimidin-2-yl)-2-methoxy-N-(2-methoxyethyl)pyridine-3-sulfonamide, Fab hinge-binding nanobody, Fab24 BAK5 heavy chain, ... | Authors: | Lees, J.A, Dias, J.M, Han, S. | Deposit date: | 2023-06-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (2.94 Å) | Cite: | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism. Nat Commun, 14, 2023
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8TB0
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![BU of 8tb0 by Molmil](/molmil-images/mine/8tb0) | Cryo-EM Structure of GPR61-G protein complex stabilized by scFv16 | Descriptor: | GPR61 fused to dominant negative G alpha S/I N18 chimera, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... | Authors: | Lees, J.A, Dias, J.M, Han, S. | Deposit date: | 2023-06-28 | Release date: | 2023-10-04 | Method: | ELECTRON MICROSCOPY (3.47 Å) | Cite: | An inverse agonist of orphan receptor GPR61 acts by a G protein-competitive allosteric mechanism. Nat Commun, 14, 2023
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3CQU
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![BU of 3cqu by Molmil](/molmil-images/mine/3cqu) | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | Descriptor: | Glycogen synthase kinase-3 beta, N-[2-(5-methyl-4H-1,2,4-triazol-3-yl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine, RAC-alpha serine/threonine-protein kinase | Authors: | Pandit, J. | Deposit date: | 2008-04-03 | Release date: | 2008-05-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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3CQW
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![BU of 3cqw by Molmil](/molmil-images/mine/3cqw) | Crystal Structure of Akt-1 complexed with substrate peptide and inhibitor | Descriptor: | 5-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine, Glycogen synthase kinase-3 beta, MANGANESE (II) ION, ... | Authors: | Pandit, J. | Deposit date: | 2008-04-03 | Release date: | 2008-05-27 | Last modified: | 2021-10-20 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis and structure based optimization of novel Akt inhibitors Bioorg.Med.Chem.Lett., 18, 2008
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5T5T
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![BU of 5t5t by Molmil](/molmil-images/mine/5t5t) | 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: | 2016-08-31 | Release date: | 2017-03-29 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (3.46 Å) | Cite: | Selective Activation of AMPK beta 1-Containing Isoforms Improves Kidney Function in a Rat Model of Diabetic Nephropathy. J. Pharmacol. Exp. Ther., 361, 2017
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4QFG
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![BU of 4qfg by Molmil](/molmil-images/mine/4qfg) | |
4QFR
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![BU of 4qfr by Molmil](/molmil-images/mine/4qfr) | Structure of AMPK in complex with Cl-A769662 activator and STAUROSPORINE inhibitor | Descriptor: | 2-chloro-4-hydroxy-3-(2'-hydroxybiphenyl-4-yl)-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 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: | 2014-05-21 | Release date: | 2014-08-06 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.34 Å) | Cite: | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms. Structure, 22, 2014
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4QFS
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![BU of 4qfs by Molmil](/molmil-images/mine/4qfs) | Structure of AMPK in complex with Br2-A769662core activator and STAUROSPORINE inhibitor | Descriptor: | 2-bromo-3-(4-bromophenyl)-4-hydroxy-6-oxo-6,7-dihydrothieno[2,3-b]pyridine-5-carbonitrile, 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: | 2014-05-21 | Release date: | 2014-08-06 | Last modified: | 2017-11-22 | Method: | X-RAY DIFFRACTION (3.55 Å) | Cite: | Structural Basis for AMPK Activation: Natural and Synthetic Ligands Regulate Kinase Activity from Opposite Poles by Different Molecular Mechanisms. Structure, 22, 2014
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3MVH
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![BU of 3mvh by Molmil](/molmil-images/mine/3mvh) | Crystal structure of Akt-1-inhibitor complexes | Descriptor: | GSK3-beta peptide, MANGANESE (II) ION, N-{[(3S)-3-amino-1-(5-ethyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidin-3-yl]methyl}-2,4-difluorobenzamide, ... | Authors: | Pandit, J. | Deposit date: | 2010-05-04 | Release date: | 2010-06-02 | Last modified: | 2021-10-06 | Method: | X-RAY DIFFRACTION (2.01 Å) | Cite: | Design of selective, ATP-competitive inhibitors of Akt. J.Med.Chem., 53, 2010
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