PDB: 52399 resultsInfo pagesStatus searchChemie searchBIRD

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4QX5	Neutron diffraction reveals hydrogen bonds critical for cGMP-selective activation: Insights for PKG agonist design Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, IODIDE ION, cGMP-dependent protein kinase 1 Authors: Huang, G.Y, Gerlits, O.O, Blakeley, M.P, Sankaran, B, Kovalevsky, A.Y, Kim, C. Deposit date: 2014-07-18 Release date: 2014-11-12 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (1.318 Å) Cite: Neutron Diffraction Reveals Hydrogen Bonds Critical for cGMP-Selective Activation: Insights for cGMP-Dependent Protein Kinase Agonist Design. Biochemistry, 53, 2014
5CIZ	E. coli RNA polymerase alpha subunit CTD in complex with CAP and DNA: A(5)-tract binding site for alpha CTD Descriptor: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, DNA (5'-D(*CP*TP*AP*GP*AP*TP*CP*AP*CP*AP*TP*TP*TP*TP*AP*GP*GP*CP*AP*AP*AP*AP*AP*G)-3'), DNA (5'-D(*CP*TP*TP*TP*TP*TP*GP*CP*CP*TP*AP*AP*AP*AP*TP*GP*TP*GP*AP*T)-3'), ... Authors: Napoli, A.A, Lawson, C.L. Deposit date: 2015-07-13 Release date: 2016-06-29 Last modified: 2023-09-27 Method: X-RAY DIFFRACTION (5.0098 Å) Cite: The RNA Polymerase alpha Subunit Recognizes the DNA Shape of the Upstream Promoter Element Biochemistry, 2020
3SBX	Crystal structure of a putative uncharacterized protein from Mycobacterium marinum bound to adenosine 5'-monophosphate AMP Descriptor: ADENOSINE MONOPHOSPHATE, Putative uncharacterized protein Authors: Seattle Structural Genomics Center for Infectious Disease (SSGCID) Deposit date: 2011-06-06 Release date: 2011-06-15 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Increasing the structural coverage of tuberculosis drug targets. Tuberculosis (Edinb), 95, 2015
4K47	Structure of the Streptococcus pneumoniae leucyl-tRNA synthetase editing domain bound to a benzoxaborole-AMP adduct Descriptor: Leucine--tRNA ligase, SULFATE ION, [(1R,5R,6R,8S)-6-(6-aminopurin-9-yl)-3'-[(R)-oxidanyl(phenyl)methyl]spiro[2,4,7-trioxa-3-boranuidabicyclo[3.3.0]octane-3,9'-8-oxa-9-boranuidabicyclo[4.3.0]nona-1,3,5-triene]-8-yl]methyl dihydrogen phosphate Authors: Hu, Q.H, Liu, R.J, Fang, Z.P, Zhang, J, Ding, Y.Y, Tan, M, Wang, M, Pan, W, Zhou, H.C, Wang, E.D. Deposit date: 2013-04-12 Release date: 2013-09-04 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (2.02 Å) Cite: Discovery of a potent benzoxaborole-based anti-pneumococcal agent targeting leucyl-tRNA synthetase Sci Rep, 3, 2013
6YMI	Crystal structure of the SAM-SAH riboswitch with AMP. Descriptor: 5-BROMOCYTIDINE 5'-(DIHYDROGEN PHOSPHATE), ADENOSINE MONOPHOSPHATE, Chains: A,C,F,I,M,O, ... Authors: Huang, L, Lilley, D.M.J. Deposit date: 2020-04-08 Release date: 2020-07-22 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure and ligand-induced folding of the SAM/SAH riboswitch. Nucleic Acids Res., 48, 2020
6E99	Crystal structure of Protein Kinase A in complex with the PKI peptide and an amino-pyridinylbenzamide based inhibitor. Descriptor: 2-[(2-aminoethyl)amino]-N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha Authors: Judge, R.A, Hobson, A.D. Deposit date: 2018-07-31 Release date: 2018-11-14 Last modified: 2019-01-16 Method: X-RAY DIFFRACTION (1.88 Å) Cite: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design. J. Med. Chem., 61, 2018
6E9L	Crystal structure of Protein Kinase A in complex with the PKI peptide and a pyridinylbenzamide based inhibitor Descriptor: N-[(2,3-dihydro-1,4-benzodioxin-5-yl)methyl]-4-(pyridin-4-yl)benzamide, PKI peptide, cAMP-dependent protein kinase catalytic subunit alpha Authors: Judge, R.A, Hobson, A.D. Deposit date: 2018-08-01 Release date: 2018-11-14 Last modified: 2019-01-16 Method: X-RAY DIFFRACTION (2.8 Å) Cite: Identification of Selective Dual ROCK1 and ROCK2 Inhibitors Using Structure Based Drug Design. J. Med. Chem., 61, 2018
3SEQ	Crystal structure of C176A mutant of glutamine-dependent NAD+ synthetase from M. tuberculosis in complex with AMPCPP and NaAD+ Descriptor: DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, GLYCEROL, Glutamine-dependent NAD(+) synthetase, ... Authors: Chuenchor, W, Gerratana, B. Deposit date: 2011-06-10 Release date: 2012-04-11 Last modified: 2023-09-13 Method: X-RAY DIFFRACTION (2.7342 Å) Cite: Regulation of the intersubunit ammonia tunnel in Mycobacterium tuberculosis glutamine-dependent NAD+ synthetase. Biochem.J., 443, 2012
3MWK	Q28E mutant of HERA N-terminal RecA-like domain, complex with 8-oxo-AMP Descriptor: Heat resistant RNA dependent ATPase, SULFATE ION, [(2R,3S,4R,5R)-5-(6-azanyl-8-oxo-7H-purin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methyl dihydrogen phosphate Authors: Rudolph, M.G, Klostermeier, D. Deposit date: 2010-05-06 Release date: 2011-03-23 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Changing nucleotide specificity of the DEAD-box helicase Hera abrogates communication between the Q-motif and the P-loop. Biol.Chem., 392, 2011
3VZU	Crystal Structure of outer membrane protein PorB from Neisseria meningitidis in complex with AMP-PNP Descriptor: PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, outer membrane protein Authors: Tanabe, M, Iverson, T.M. Deposit date: 2012-10-15 Release date: 2013-03-13 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.9 Å) Cite: Structural basis for solute transport, nucleotide regulation, and immunological recognition of Neisseria meningitidis PorB. Proc.Natl.Acad.Sci.USA, 107, 2010
4RWO	Crystal structure of the porcine OAS1 L149R mutant in complex with dsRNA and ApCpp in the AMP donor position Descriptor: 2'-5'-oligoadenylate synthase 1, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, MAGNESIUM ION, ... Authors: Lohoefener, J, Steinke, N, Kay-Fedorov, P, Baruch, P, Nikulin, A, Tishchenko, S, Manstein, D.J, Fedorov, R. Deposit date: 2014-12-05 Release date: 2015-05-20 Last modified: 2024-02-28 Method: X-RAY DIFFRACTION (2.2 Å) Cite: The Activation Mechanism of 2'-5'-Oligoadenylate Synthetase Gives New Insights Into OAS/cGAS Triggers of Innate Immunity. Structure, 23, 2015
4LQY	Crystal Structure of Human ENPP4 with AMP Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ADENOSINE MONOPHOSPHATE, ... Authors: Albright, R.A, Braddock, D.T. Deposit date: 2013-07-19 Release date: 2013-12-18 Last modified: 2023-09-20 Method: X-RAY DIFFRACTION (1.54 Å) Cite: Molecular basis of purinergic signal metabolism by ectonucleotide pyrophosphatase/phosphodiesterases 4 and 1 and implications in stroke. J.Biol.Chem., 289, 2014
6E21	Joint X-ray/neutron structure of PKAc with products Sr2-ADP and phosphorylated peptide SP20 Descriptor: ADENOSINE-5'-DIPHOSPHATE, STRONTIUM ION, cAMP-dependent protein kinase catalytic subunit alpha, ... Authors: Kovalevsky, A, Gerlits, O.O, Taylor, S. Deposit date: 2018-07-10 Release date: 2019-04-03 Last modified: 2023-10-25 Method: NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION Cite: Zooming in on protons: Neutron structure of protein kinase A trapped in a product complex. Sci Adv, 5, 2019
1MDF	CRYSTAL STRUCTURE OF DhbE IN ABSENCE OF SUBSTRATE Descriptor: 2,3-dihydroxybenzoate-AMP ligase, SULFATE ION Authors: May, J.J, Kessler, N, Marahiel, M.A, Stubbs, M.T. Deposit date: 2002-08-07 Release date: 2002-09-11 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.5 Å) Cite: Crystal structure of DhbE, an archetype for aryl acid activating domains of modular nonribosomal peptide synthetases. Proc.Natl.Acad.Sci.USA, 99, 2002
2Z7Q	Crystal structure of the N-terminal kinase domain of human RSK-1 bound to AMP-PCP Descriptor: MAGNESIUM ION, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, Ribosomal protein S6 kinase alpha-1 Authors: Ikuta, M, Munshi, S.K. Deposit date: 2007-08-28 Release date: 2008-05-13 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structures of the N-terminal kinase domain of human RSK1 bound to three different ligands: Implications for the design of RSK1 specific inhibitors. Protein Sci., 16, 2007
3AFH	Crystal structure of Thermotoga maritima nondiscriminating glutamyl-tRNA synthetase in complex with a glutamyl-AMP analog Descriptor: Glutamyl-tRNA synthetase 2, O5'-(L-GLUTAMYL-SULFAMOYL)-ADENOSINE Authors: Ito, T, Yokoyama, S. Deposit date: 2010-03-01 Release date: 2010-06-30 Last modified: 2023-11-01 Method: X-RAY DIFFRACTION (2 Å) Cite: Structure of nondiscriminating glutamyl-tRNA synthetase from Thermotoga maritima Acta Crystallogr.,Sect.D, 66, 2010
5X1S	PpkA-294 with Amppcp Descriptor: GLYCEROL, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, PpkA Authors: Li, P.P, Ran, T.T, Xu, D.Q, Wang, W.W. Deposit date: 2017-01-26 Release date: 2018-01-31 Last modified: 2024-03-20 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Crystal structures of the kinase domain of PpkA, a key regulatory component of T6SS, reveal a general inhibitory mechanism. Biochem.J., 475, 2018
6EO1	The electron crystallography structure of the cAMP-bound potassium channel MloK1 (PCO-refined) Descriptor: Cyclic nucleotide-gated potassium channel mll3241, POTASSIUM ION Authors: Kowal, J, Biyani, N, Chami, M, Scherer, S, Rzepiela, A, Baumgartner, P, Upadhyay, V, Nimigean, C, Stahlberg, H. Deposit date: 2017-10-08 Release date: 2017-12-27 Last modified: 2024-05-15 Method: ELECTRON CRYSTALLOGRAPHY (4.5 Å) Cite: High-Resolution Cryoelectron Microscopy Structure of the Cyclic Nucleotide-Modulated Potassium Channel MloK1 in a Lipid Bilayer. Structure, 26, 2018
1MEZ	Structure of the Recombinant Mouse-Muscle Adenylosuccinate Synthetase Complexed with SAMP, GDP, SO4(2-), and Mg(2+) Descriptor: 2-[9-(3,4-DIHYDROXY-5-PHOSPHONOOXYMETHYL-TETRAHYDRO-FURAN-2-YL)-9H-PURIN-6-YLAMINO]-SUCCINIC ACID, Adenylosuccinate Synthetase, GUANOSINE-5'-DIPHOSPHATE, ... Authors: Iancu, C.V, Borza, T, Fromm, H.J, Honzatko, R.B. Deposit date: 2002-08-09 Release date: 2002-10-30 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2.4 Å) Cite: Feedback inhibition and product complexes of recombinant mouse muscle adenylosuccinate synthetase. J.Biol.Chem., 277, 2002
4ZGL	Hit Like Protein Descriptor: ADENOSINE MONOPHOSPHATE, Uncharacterized HIT-like protein HP_0404 Authors: Tarique, K.F, Devi, S, Abdul Rehman, S.A, Gourinath, S. Deposit date: 2015-04-23 Release date: 2015-05-27 Last modified: 2023-11-08 Method: X-RAY DIFFRACTION (2.95 Å) Cite: Crystal structure of HINT from Helicobacter pylori. Acta Crystallogr.,Sect.F, 72, 2016
1MB9	BETA-LACTAM SYNTHETASE COMPLEXED WITH ATP Descriptor: ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, BETA-LACTAM SYNTHETASE, ... Authors: Miller, M.T, Bachmann, B.O, Townsend, C.A, Rosenzweig, A.C. Deposit date: 2002-08-02 Release date: 2002-10-23 Last modified: 2024-02-14 Method: X-RAY DIFFRACTION (2.11 Å) Cite: The catalytic cycle of beta -lactam synthetase observed by x-ray crystallographic snapshots Proc.Natl.Acad.Sci.USA, 99, 2002
5DY9	Y68T Hfq from Methanococcus jannaschii in complex with AMP Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, CHLORIDE ION, ... Authors: Nikulin, A.D, Mikhailina, A.O, Lekontseva, N.V, Balobanov, V.A, Nikonova, E.Y, Tishchenko, S.V. Deposit date: 2015-09-24 Release date: 2016-09-28 Last modified: 2024-05-08 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Characterization of RNA-binding properties of the archaeal Hfq-like protein from Methanococcus jannaschii. J. Biomol. Struct. Dyn., 35, 2017
5DS7	2.0 A Structure of CPII, a nitrogen regulatory PII-like protein from Thiomonas intermedia K12, bound AMP Descriptor: ADENOSINE MONOPHOSPHATE, CHLORIDE ION, Nitrogen regulatory protein P-II Authors: Wheatley, N.M, Ngo, J, Cascio, D, Sawaya, M.R, Yeates, T.O. Deposit date: 2015-09-17 Release date: 2016-09-28 Last modified: 2024-03-06 Method: X-RAY DIFFRACTION (2 Å) Cite: A PII-Like Protein Regulated by Bicarbonate: Structural and Biochemical Studies of the Carboxysome-Associated CPII Protein. J.Mol.Biol., 428, 2016
1FVI	CRYSTAL STRUCTURE OF CHLORELLA VIRUS DNA LIGASE-ADENYLATE Descriptor: ADENOSINE MONOPHOSPHATE, CHLORELLA VIRUS DNA LIGASE-ADENYLATE, SULFATE ION Authors: Odell, M, Sriskanda, V, Shuman, S, Nikolov, D.B. Deposit date: 2000-09-20 Release date: 2000-11-22 Last modified: 2021-11-03 Method: X-RAY DIFFRACTION (2 Å) Cite: Crystal structure of eukaryotic DNA ligase-adenylate illuminates the mechanism of nick sensing and strand joining. Mol.Cell, 6, 2000
2M6A	NMR spatial structure of the antimicrobial peptide Tk-Amp-X2 Descriptor: Predicted protein Authors: Usmanova, D.R, Mineev, K.S, Arseniev, A.S, Berkut, A.A, Oparin, P.B, Grishin, E.V, Vassilevski, A.A. Deposit date: 2013-03-28 Release date: 2014-04-02 Last modified: 2023-06-14 Method: SOLUTION NMR Cite: Structural similarity between defense peptide from wheat and scorpion neurotoxin permits rational functional design J.Biol.Chem., 289, 2014

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