8UCE
 
 | | Thermophilic RNA Ligase from Palaeococcus pacificus + AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, ATP dependent DNA ligase, GLYCEROL, ... | | Authors: | Rousseau, M.D, Hicks, J.L, Oulavallickal, T, Williamson, A, Arcus, V.L, Patrick, M.W. | | Deposit date: | 2023-09-26 | | Release date: | 2024-02-21 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (2.12 Å) | | Cite: | Characterisation and engineering of a thermophilic RNA ligase from Palaeococcus pacificus.
Nucleic Acids Res., 52, 2024
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8WNG
 | | Crystal structure of H. pylori isoleucyl-tRNA synthetase (HpIleRS) in complex with Ile | | Descriptor: | ACETATE ION, GLYCEROL, ISOLEUCINE, ... | | Authors: | Guo, Y, Li, S, Zhang, T. | | Deposit date: | 2023-10-05 | | Release date: | 2024-02-14 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Structural basis for substrate and antibiotic recognition by Helicobacter pylori isoleucyl-tRNA synthetase.
Febs Lett., 598, 2024
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8PSY
 | | ERK2 covelently bound to RU68 cyclohexenone based inhibitor | | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{S},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2.55 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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8PST
 | | ERK2 covelently bound to RU60 cyclohexenone based inhibitor | | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{S})-1-methyl-4-oxidanylidene-cyclohexane-1,3-dicarboxylate | | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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8PSW
 | | ERK2 covalently bound to RU67 cyclohexenone based inhibitor | | Descriptor: | AMP PHOSPHORAMIDATE, Mitogen-activated protein kinase 1, ~{O}3-~{tert}-butyl ~{O}1-methyl (1~{R},3~{R})-4-oxidanylidene-1-(phenylmethyl)cyclohexane-1,3-dicarboxylate | | Authors: | Sok, P, Poti, A, Remenyi, A, Gogl, G. | | Deposit date: | 2023-07-13 | | Release date: | 2024-07-24 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Targeting a key protein-protein interaction surface on mitogen-activated protein kinases by a Michael acceptor-based cyclic warhead scaffold
To Be Published
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7E3W
 | | Metallo beta-lactamase fold protein (cAMP bound) | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, CHLORIDE ION, ... | | Authors: | Lee, K.-Y, Kim, D.-G, Lee, B.-J. | | Deposit date: | 2021-02-09 | | Release date: | 2022-02-23 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Structural and functional studies of SAV1707 from Staphylococcus aureus elucidate its distinct metal-dependent activity and a crucial residue for catalysis.
Acta Crystallogr D Struct Biol, 77, 2021
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6C0U
 | | Crystal structure of cAMP-dependent protein kinase Calpha subunit bound with N46 | | Descriptor: | DIMETHYL SULFOXIDE, N-[(3R,4R)-4-{[4-(2-fluoro-3-methoxy-6-propoxybenzene-1-carbonyl)benzene-1-carbonyl]amino}pyrrolidin-3-yl]-1H-indazole-5-carboxamide, PHOSPHATE ION, ... | | Authors: | Qin, L, Sankaran, B, Kim, C. | | Deposit date: | 2018-01-02 | | Release date: | 2018-05-30 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structural basis for selective inhibition of human PKG I alpha by the balanol-like compound N46.
J. Biol. Chem., 293, 2018
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5SXS
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6VAA
 | | Structure of the Fanconi Anemia ID complex bound to ICL DNA | | Descriptor: | DNA (26-MER), DNA (5'-D(*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*TP*T)-3'), DNA (5'-D(P*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*AP*A)-3'), ... | | Authors: | Pavletich, N.P. | | Deposit date: | 2019-12-17 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
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6IJ2
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1UND
 | | Solution structure of the human advillin C-terminal headpiece subdomain | | Descriptor: | ADVILLIN | | Authors: | Vermeulen, W, Van Troys, M, Vanhaesebrouck, P, Verschueren, M, Fant, F, Ampe, C, Martins, J, Borremans, F. | | Deposit date: | 2003-09-09 | | Release date: | 2004-07-15 | | Last modified: | 2011-07-13 | | Method: | SOLUTION NMR | | Cite: | Solution Structures of the C-Terminal Headpiece Subdomains of Human Villin and Advillin, Evaluation of Headpiece F-Actin-Binding Requirements
Protein Sci., 13, 2004
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1M5E
 | | X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH ACPA AT 1.46 A RESOLUTION | | Descriptor: | (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ... | | Authors: | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | | Deposit date: | 2002-07-09 | | Release date: | 2002-09-18 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (1.46 Å) | | Cite: | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core
J.Mol.Biol., 322, 2002
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7ESC
 | | FmnB complexed with AMP | | Descriptor: | ADENOSINE MONOPHOSPHATE, FAD:protein FMN transferase, MAGNESIUM ION | | Authors: | Cheng, W, Zheng, Y.H. | | Deposit date: | 2021-05-10 | | Release date: | 2021-11-03 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.201 Å) | | Cite: | Structural insights into the catalytic and inhibitory mechanisms of the flavin transferase FmnB in Listeria monocytogenes.
MedComm (2020), 3, 2022
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6VAD
 | | Fanconi Anemia ID complex | | Descriptor: | Fanconi anemia group D2 protein, Fanconi anemia, complementation group I | | Authors: | Pavletich, N.P. | | Deposit date: | 2019-12-17 | | Release date: | 2020-03-18 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.3 Å) | | Cite: | DNA clamp function of the monoubiquitinated Fanconi anaemia ID complex.
Nature, 580, 2020
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4BWP
 | | Structure of Drosophila Melanogaster PAN3 pseudokinase | | Descriptor: | AMP PHOSPHORAMIDATE, PAB-DEPENDENT POLY(A)-SPECIFIC RIBONUCLEASE SUBUNIT PAN-3 | | Authors: | Christie, M, Boland, A, Huntzinger, E, Weichenrieder, O, Izaurralde, E. | | Deposit date: | 2013-07-03 | | Release date: | 2013-08-21 | | Last modified: | 2023-12-20 | | Method: | X-RAY DIFFRACTION (3.6 Å) | | Cite: | Structure of the Pan3 Pseudokinase Reveals the Basis for Interactions with the Pan2 Deadenylase and the Gw182 Proteins
Mol.Cell, 51, 2013
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6D9M
 | | T4-Lysozyme fusion to Geobacter GGDEF | | Descriptor: | ACETATE ION, Fusion protein of Endolysin,Response receiver sensor diguanylate cyclase, GAF domain-containing, ... | | Authors: | Hallberg, Z, Doxzen, K, Kranzusch, P.J, Hammond, M. | | Deposit date: | 2018-04-30 | | Release date: | 2019-04-10 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | Structure and mechanism of a Hypr GGDEF enzyme that activates cGAMP signaling to control extracellular metal respiration.
Elife, 8, 2019
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1M5C
 | | X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) IN COMPLEX WITH Br-HIBO AT 1.65 A RESOLUTION | | Descriptor: | (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2 | | Authors: | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | | Deposit date: | 2002-07-09 | | Release date: | 2002-09-18 | | Last modified: | 2017-08-16 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core
J.Mol.Biol., 322, 2002
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6IH1
 | | Crystal structure of a standalone versatile EAL protein from Vibrio cholerae O395 - c-di-GMP bound form | | Descriptor: | 9,9'-[(2R,3R,3aS,5S,7aR,9R,10R,10aS,12S,14aR)-3,5,10,12-tetrahydroxy-5,12-dioxidooctahydro-2H,7H-difuro[3,2-d:3',2'-j][1,3,7,9,2,8]tetraoxadiphosphacyclododecine-2,9-diyl]bis(2-amino-1,9-dihydro-6H-purin-6-one), CALCIUM ION, cyclic di nucleotide phoshodiesterase | | Authors: | Yadav, M, Pal, K, Sen, U. | | Deposit date: | 2018-09-28 | | Release date: | 2019-10-02 | | Last modified: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structures of c-di-GMP/cGAMP degrading phosphodiesterase VcEAL: identification of a novel conformational switch and its implication.
Biochem.J., 476, 2019
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6IFQ
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7UJX
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 2.4 Angstrom data | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Wych, D.C, Aoto, P.C, Wall, M.E. | | Deposit date: | 2022-03-31 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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7V0G
 | | Structure of cAMP-dependent protein kinase using a MD-MX procedure, produced using 1.63 Angstrom data | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, PHOSPHATE ION, ... | | Authors: | Wych, D.C, Aoto, P.C, Wall, M.E. | | Deposit date: | 2022-05-10 | | Release date: | 2022-12-07 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Molecular-dynamics simulation methods for macromolecular crystallography.
Acta Crystallogr D Struct Biol, 79, 2023
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7SHP
 | | Crystal structure of hSTING in complex with c[2',3'-(ribo-2'-G, xylo-3'-A)-MP](RJ244) | | Descriptor: | (2S,5R,7R,8R,10S,12aR,14R,15R,15aR,16R)-7-(2-amino-6-oxo-3,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | | Authors: | Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J. | | Deposit date: | 2021-10-11 | | Release date: | 2022-10-19 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists.
Cell Chem Biol, 2023
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7SHO
 | | Crystal structure of hSTING in complex with c[2',3'-(ara-2'-G, ribo-3'-A)-MP] (RJ242) | | Descriptor: | (2R,5R,7R,8S,10R,12aR,14R,15R,15aS,16R)-7-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-14-(6-amino-9H-purin-9-yl)-2,10,15,16-tetrahydroxyoctahydro-2H,10H,12H-5,8-methano-2lambda~5~,10lambda~5~-furo[3,2-l][1,3,6,9,11,2,10]pentaoxadiphosphacyclotetradecine-2,10-dione, Stimulator of interferon genes protein | | Authors: | Xie, W, Lama, L, Yang, X.J, Kuryavyi, V, Nudelman, I, Glickman, J.F, Jones, R.A, Tuschl, T, Patel, D.J. | | Deposit date: | 2021-10-10 | | Release date: | 2022-10-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Arabinose- and xylose-modified analogs of 2',3'-cGAMP act as STING agonists.
Cell Chem Biol, 2023
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1M5D
 | | X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH Br-HIBO AT 1.73 A RESOLUTION | | Descriptor: | (S)-2-AMINO-3-(4-BROMO-3-HYDROXY-ISOXAZOL-5-YL)PROPIONIC ACID, Glutamate receptor 2, SULFATE ION | | Authors: | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | | Deposit date: | 2002-07-09 | | Release date: | 2002-09-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.73 Å) | | Cite: | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core
J.Mol.Biol., 322, 2002
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1M5F
 | | X-RAY STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J-Y702F) IN COMPLEX WITH ACPA AT 1.95 A RESOLUTION | | Descriptor: | (S)-2-AMINO-3-(3-CARBOXY-5-METHYLISOXAZOL-4-YL)PROPIONIC ACID, ACETATE ION, Glutamate receptor 2, ... | | Authors: | Hogner, A, Kastrup, J.S, Jin, R, Liljefors, T, Mayer, M.L, Egebjerg, J, Larsen, I.K, Gouaux, E. | | Deposit date: | 2002-07-09 | | Release date: | 2002-09-18 | | Last modified: | 2021-10-27 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Structural Basis for AMPA Receptor Activation and Ligand Selectivity:
Crystal Structures of Five Agonist Complexes with the GluR2 Ligand-binding
Core
J.Mol.Biol., 322, 2002
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