3OW3
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![BU of 3ow3 by Molmil](/molmil-images/mine/3ow3) | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors | Descriptor: | (2R)-3-(1H-indol-3-yl)-1-{4-[(5S)-5-methyl-5,7-dihydrothieno[3,4-d]pyrimidin-4-yl]piperazin-1-yl}-1-oxopropan-2-amine, cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | Authors: | Dizon, F, Wu, W, Vigers, G.P.A, Brandhuber, B.J. | Deposit date: | 2010-09-17 | Release date: | 2010-11-10 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of dihydrothieno- and dihydrofuropyrimidines as potent pan Akt inhibitors. Bioorg.Med.Chem.Lett., 20, 2010
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4AE6
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![BU of 4ae6 by Molmil](/molmil-images/mine/4ae6) | Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase A (PKA) Catalytic Subunit Calpha 2 | Descriptor: | ACETATE ION, CAMP-DEPENDENT PROTEIN KINASE CATALYTIC SUBUNIT ALPHA 2 | Authors: | Hereng, T.H, Backe, P.H, Kahmann, J, Scheich, C, Bjoras, M, Skalhegg, B.S, Rosendal, K.R. | Deposit date: | 2012-01-09 | Release date: | 2012-04-18 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structure and Function of the Human Sperm-Specific Isoform of Protein Kinase a (Pka) Catalytic Subunit Calpha2 J.Struct.Biol., 178, 2012
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8CP3
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![BU of 8cp3 by Molmil](/molmil-images/mine/8cp3) | Apo-LarE in complex with AMP-PNP | Descriptor: | BETA-MERCAPTOETHANOL, GLYCEROL, NAD_synthase domain-containing protein, ... | Authors: | Zecchin, P, Pecqueur, L, Golinelli-Pimpaneau, B. | Deposit date: | 2023-03-01 | Release date: | 2024-01-31 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: | Structure-based insights into the mechanism of [4Fe-4S]-dependent sulfur insertase LarE. Protein Sci., 33, 2024
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7XBV
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![BU of 7xbv by Molmil](/molmil-images/mine/7xbv) | Crystal structure of the adenylation domain of CmnG in complex with AMPCPP | Descriptor: | CmnG, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, PHOSPHATE ION | Authors: | Chen, I.H, Wang, Y.L, Chang, C.Y. | Deposit date: | 2022-03-22 | Release date: | 2023-03-01 | Last modified: | 2023-11-29 | Method: | X-RAY DIFFRACTION (1.94 Å) | Cite: | Characterization and Structural Determination of CmnG-A, the Adenylation Domain That Activates the Nonproteinogenic Amino Acid Capreomycidine in Capreomycin Biosynthesis. Chembiochem, 23, 2022
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8UTN
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![BU of 8utn by Molmil](/molmil-images/mine/8utn) | KIF1A[1-393] AMP-PNP bound two-heads-bound state in complex with a microtubule (class T23L1) | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | Deposit date: | 2023-10-31 | Release date: | 2024-06-12 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L. Nat Commun, 15, 2024
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8UTQ
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![BU of 8utq by Molmil](/molmil-images/mine/8utq) | KIF1A[1-393] AMP-PNP bound one-head-bound state in complex with a microtubule - class T1L02* | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | Deposit date: | 2023-10-31 | Release date: | 2024-06-12 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.1 Å) | Cite: | Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L. Nat Commun, 15, 2024
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8UTY
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![BU of 8uty by Molmil](/molmil-images/mine/8uty) | KIF1A[1-393] P364L mutant AMP-PNP bound two-heads-bound state in complex with a microtubule | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein KIF1A, ... | Authors: | Benoit, M.P.M.H, Rao, L, Asenjo, A.B, Gennerich, A, Sosa, H. | Deposit date: | 2023-10-31 | Release date: | 2024-06-12 | Last modified: | 2024-07-31 | Method: | ELECTRON MICROSCOPY (3.3 Å) | Cite: | Cryo-EM unveils kinesin KIF1A's processivity mechanism and the impact of its pathogenic variant P305L. Nat Commun, 15, 2024
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5MNI
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![BU of 5mni by Molmil](/molmil-images/mine/5mni) | Escherichia coli AGPase mutant R130A apo form | Descriptor: | Glucose-1-phosphate adenylyltransferase | Authors: | Cifuente, J.O, Comino, N, Marina, A, Orrantia, A, Eguskiza, A, Guerin, M.E. | Deposit date: | 2016-12-13 | Release date: | 2017-03-01 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (3.09 Å) | Cite: | Mechanistic insights into the allosteric regulation of bacterial ADP-glucose pyrophosphorylases. J. Biol. Chem., 292, 2017
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7Q2U
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![BU of 7q2u by Molmil](/molmil-images/mine/7q2u) | The crystal structure of the HINT1 Q62A mutant. | Descriptor: | CACODYLATE ION, HEXAETHYLENE GLYCOL, Histidine triad nucleotide-binding protein 1, ... | Authors: | Dolot, R.M, Strom, A.M, Wagner, C.R. | Deposit date: | 2021-10-26 | Release date: | 2021-11-03 | Last modified: | 2024-02-07 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Dynamic Long-Range Interactions Influence Substrate Binding and Catalysis by Human Histidine Triad Nucleotide-Binding Proteins (HINTs), Key Regulators of Multiple Cellular Processes and Activators of Antiviral ProTides. Biochemistry, 61, 2022
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2OH0
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![BU of 2oh0 by Molmil](/molmil-images/mine/2oh0) | |
2OJF
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![BU of 2ojf by Molmil](/molmil-images/mine/2ojf) | |
3HXY
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![BU of 3hxy by Molmil](/molmil-images/mine/3hxy) | Crystal Structure of catalytic fragment of E. coli AlaRS in complex with AMPPCP, Ala-AMP and PCP | Descriptor: | 2-HYDROXYETHYL DISULFIDE, 5'-O-[(R)-{[(2S)-2-aminopropanoyl]oxy}(hydroxy)phosphoryl]adenosine, Alanyl-tRNA synthetase, ... | Authors: | Guo, M, Yang, X.-L, Schimmel, P. | Deposit date: | 2009-06-22 | Release date: | 2009-12-15 | Last modified: | 2024-02-21 | Method: | X-RAY DIFFRACTION (2.27 Å) | Cite: | Paradox of mistranslation of serine for alanine caused by AlaRS recognition dilemma. Nature, 462, 2009
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7N11
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![BU of 7n11 by Molmil](/molmil-images/mine/7n11) | |
7MXJ
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![BU of 7mxj by Molmil](/molmil-images/mine/7mxj) | |
7MXK
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![BU of 7mxk by Molmil](/molmil-images/mine/7mxk) | |
7MXB
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![BU of 7mxb by Molmil](/molmil-images/mine/7mxb) | |
3MFU
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![BU of 3mfu by Molmil](/molmil-images/mine/3mfu) | CASK-4M CaM Kinase Domain, AMPPNP-Mn2+ | Descriptor: | MANGANESE (II) ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Peripheral plasma membrane protein CASK | Authors: | Wahl, M.C, Mukherjee, K. | Deposit date: | 2010-04-03 | Release date: | 2010-04-28 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Evolution of CASK into a Mg2+-sensitive kinase. Sci.Signal., 3, 2010
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4BRD
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![BU of 4brd by Molmil](/molmil-images/mine/4brd) | Legionella pneumophila NTPDase1 Q193E crystal form II, closed, Mg AMPPNP complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CHLORIDE ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-04 | Release date: | 2013-07-17 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (1.5 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BRA
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![BU of 4bra by Molmil](/molmil-images/mine/4bra) | Legionella pneumophila NTPDase1 crystal form II, closed, Mg AMPPNP complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE I, GLYCEROL, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-04 | Release date: | 2013-07-17 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BR0
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![BU of 4br0 by Molmil](/molmil-images/mine/4br0) | rat NTPDase2 in complex with Ca AMPNP | Descriptor: | 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, CALCIUM ION, ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-03 | Release date: | 2013-07-17 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (2.05 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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4BRC
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![BU of 4brc by Molmil](/molmil-images/mine/4brc) | Legionella pneumophila NTPDase1 crystal form II, closed, Mg AMPNP complex | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 5'-O-[(R)-hydroxy(phosphonoamino)phosphoryl]adenosine, CHLORIDE ION, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-04 | Release date: | 2013-07-17 | Last modified: | 2013-12-25 | Method: | X-RAY DIFFRACTION (1.3 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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8CRG
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![BU of 8crg by Molmil](/molmil-images/mine/8crg) | E. coli adenylate kinase in complex with two ADP molecules as a result of enzymatic AP4A hydrolysis | Descriptor: | 3[N-MORPHOLINO]PROPANE SULFONIC ACID, ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase | Authors: | Oelker, M, Tischlik, S, Wolf-Watz, M, Sauer-Eriksson, A.E. | Deposit date: | 2023-03-08 | Release date: | 2023-06-14 | Last modified: | 2023-10-25 | Method: | X-RAY DIFFRACTION (1.49 Å) | Cite: | Insights into Enzymatic Catalysis from Binding and Hydrolysis of Diadenosine Tetraphosphate by E. coli Adenylate Kinase. Biochemistry, 62, 2023
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4BR5
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![BU of 4br5 by Molmil](/molmil-images/mine/4br5) | Rat NTPDase2 in complex with Zn AMPPNP | Descriptor: | ECTONUCLEOSIDE TRIPHOSPHATE DIPHOSPHOHYDROLASE 2, GLYCEROL, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, ... | Authors: | Zebisch, M, Schaefer, P, Lauble, P, Straeter, N. | Deposit date: | 2013-06-04 | Release date: | 2013-07-17 | Last modified: | 2017-08-23 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystallographic Snapshots Along the Reaction Pathway of Nucleoside Triphosphate Diphosphohydrolases Structure, 21, 2013
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2F7X
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![BU of 2f7x by Molmil](/molmil-images/mine/2f7x) | Protein Kinase A bound to (S)-2-(1H-Indol-3-yl)-1-[5-((E)-2-pyridin-4-yl-vinyl)-pyridin-3-yloxymethyl]-ethylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-[({5-[(E)-2-PYRIDIN-4-YLVINYL]PYRIDIN-3-YL}OXY)METHYL]ETHYLAMINE, PKI, inhibitory peptide, ... | Authors: | Li, Q, Li, T, Zhu, G.D, Gong, J, Claibone, A, Dalton, C, Luo, Y, Johnson, E.F, Shi, Y, Liu, X, Klinghofer, V, Bauch, J.L, Marsh, K.C, Bouska, J.J, Arries, S, De Jong, R, Oltersdorf, T, Stoll, V.S, Jakob, C.G, Rosenberg, S.H, Giranda, V.L. | Deposit date: | 2005-12-01 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (1.9 Å) | Cite: | Discovery of trans-3,4'-bispyridinylethylenes as potent and novel inhibitors of protein kinase B (PKB/Akt) for the treatment of cancer: Synthesis and biological evaluation. Bioorg.Med.Chem.Lett., 16, 2006
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2F7E
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![BU of 2f7e by Molmil](/molmil-images/mine/2f7e) | PKA complexed with (S)-2-(1H-Indol-3-yl)-1-(5-isoquinolin-6-yl-pyridin-3-yloxymethyl-etylamine | Descriptor: | (1S)-2-(1H-INDOL-3-YL)-1-{[(5-ISOQUINOLIN-6-YLPYRIDIN-3-YL)OXY]METHYL}ETHYLAMINE, PKI inhibitory peptide, cAMP-dependent protein kinase, ... | Authors: | Stoll, V.S. | Deposit date: | 2005-11-30 | Release date: | 2006-06-27 | Last modified: | 2024-02-14 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Synthesis and structure-activity relationship of 3,4'-bispyridinylethylenes: discovery of a potent 3-isoquinolinylpyridine inhibitor of protein kinase B (PKB/Akt) for the treatment of cancer. Bioorg.Med.Chem.Lett., 16, 2006
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