PDB: 52540 resultsInfo pagesStatus searchChemie searchBIRD

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8I27	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, 4-methoxybenzenecarbonitrile, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.95 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I4I	The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate and L-tryptophan Descriptor: SULFATE ION, TRYPTOPHAN, TRYPTOPHANYL-5'AMP, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-19 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.2 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2M	The crystal structure of homodimeric E. coli tryptophanyl-tRNA synthetase bound with niraparib at one of its two active sites Descriptor: 2-{4-[(3S)-piperidin-3-yl]phenyl}-2H-indazole-7-carboxamide, SULFATE ION, TRYPTOPHANYL-5'AMP, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.1 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I1Y	The structure of E. coli TrpRS bound with a chemical fragment Descriptor: 5-ethanoylthiophene-2-carbonitrile, SULFATE ION, TRYPTOPHANYL-5'AMP, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-13 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.78 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2A	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, 5-METHOXYBENZIMIDAZOLE, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.35 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I1W	The asymmetric structure of homodimeric E. coli TrpRS bound with tryptophanyl adenylate at one of its two active pockets Descriptor: SULFATE ION, TRYPTOPHANYL-5'AMP, Tryptophan--tRNA ligase Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-13 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2C	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, 4-methoxyaniline, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (2.07 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I2L	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment at the dimerization interface Descriptor: 1,2-ETHANEDIOL, CHLORZOXAZONE, SULFATE ION, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-14 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.95 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
8I1Z	E. coli tryptophanyl-tRNA synthetase bound with a chemical fragment Descriptor: 1-(2,3-dihydro-1-benzofuran-5-yl)ethanone, SULFATE ION, TRYPTOPHANYL-5'AMP, ... Authors: Xiang, M, Zhou, H. Deposit date: 2023-01-13 Release date: 2023-04-12 Last modified: 2024-05-29 Method: X-RAY DIFFRACTION (1.8 Å) Cite: An asymmetric structure of bacterial TrpRS supports the half-of-the-sites catalytic mechanism and facilitates antimicrobial screening. Nucleic Acids Res., 51, 2023
6O6Y	Crystal structure of Csm6 in complex with cyclic-tetraadenylates (cA4) by cocrystallization of Csm6 and cA4 Descriptor: 2',3'- cyclic AMP, 3'-O-[(R)-{[(2S,3aS,4S,6S,6aS)-6-(6-amino-9H-purin-9-yl)-2-hydroxy-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]methoxy}(hydroxy)phosphoryl]adenosine, Csm6 Authors: Jia, N, Patel, D.J. Deposit date: 2019-03-07 Release date: 2019-07-31 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (1.96 Å) Cite: CRISPR-Cas III-A Csm6 CARF Domain Is a Ring Nuclease Triggering Stepwise cA4Cleavage with ApA>p Formation Terminating RNase Activity. Mol.Cell, 75, 2019
6O7E	Cryo-EM structure of Csm-crRNA-target RNA ternary complex in complex with AMPPNP in type III-A CRISPR-Cas system Descriptor: Csm1, Csm2, Csm3, ... Authors: Jia, N, Patel, D.J. Deposit date: 2019-03-07 Release date: 2019-07-31 Last modified: 2024-03-20 Method: ELECTRON MICROSCOPY (3.2 Å) Cite: Second Messenger cA4Formation within the Composite Csm1 Palm Pocket of Type III-A CRISPR-Cas Csm Complex and Its Release Path. Mol.Cell, 75, 2019
8SX6	RNA duplex bound with GMP and AMP monomers Descriptor: ADENOSINE MONOPHOSPHATE, GUANOSINE-5'-MONOPHOSPHATE, MAGNESIUM ION, ... Authors: Zhang, W, Dantsu, Y. Deposit date: 2023-05-19 Release date: 2023-05-31 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.45 Å) Cite: Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
8SXL	RNA UU template binding to AMP monomer Descriptor: ADENOSINE MONOPHOSPHATE, RNA (5'-R(*(TLN)P*(TLN)P*(LCA)P*(LCG)P*AP*CP*UP*UP*AP*AP*GP*UP*CP*U)-3') Authors: Zhang, W, Dantsu, Y. Deposit date: 2023-05-22 Release date: 2023-05-31 Last modified: 2023-12-13 Method: X-RAY DIFFRACTION (1.9 Å) Cite: Insight into the structures of unusual base pairs in RNA complexes containing a primer/template/adenosine ligand. Rsc Chem Biol, 4, 2023
4CT9	Competence or damage-inducible protein CinA from Thermus thermophilus Descriptor: ADENOSINE MONOPHOSPHATE, CINA-LIKE PROTEIN, GLYCEROL, ... Authors: Derrick, J, Karrupiah, V. Deposit date: 2014-03-12 Release date: 2015-01-21 Last modified: 2023-12-20 Method: X-RAY DIFFRACTION (2.14 Å) Cite: Competence or Damage-Inducible Protein Cina from Thermus Thermophilus To be Published
6SH8	Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 2, in the presence of ssDNA Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ... Authors: Sofos, N, Montoya, G, Stella, S. Deposit date: 2019-08-06 Release date: 2020-07-08 Last modified: 2020-09-16 Method: ELECTRON MICROSCOPY (3.14 Å) Cite: Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas. Mol.Cell, 79, 2020
6SNN	Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzoic acid Descriptor: BENZOIC ACID, cAMP-dependent protein kinase catalytic subunit alpha Authors: Oebbeke, M, Merkl, S, Siefker, C, Heine, A, Klebe, G. Deposit date: 2019-08-27 Release date: 2020-09-09 Last modified: 2020-12-30 Method: X-RAY DIFFRACTION (1.817 Å) Cite: Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
6SHB	Cryo-EM structure of the Type III-B Cmr-beta bound to cognate target RNA and AMPPnP, state 1, in the presence of ssDNA Descriptor: CRISPR-associated RAMP protein, Cmr4 family, Cmr6 family, ... Authors: Sofos, N, Montoya, G, Stella, S. Deposit date: 2019-08-06 Release date: 2020-07-08 Last modified: 2020-09-16 Method: ELECTRON MICROSCOPY (3.07 Å) Cite: Structures of the Cmr-beta Complex Reveal the Regulation of the Immunity Mechanism of Type III-B CRISPR-Cas. Mol.Cell, 79, 2020
6SOX	Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-carbamoylbenzoic acid Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-aminocarbonylbenzoic acid, DIMETHYL SULFOXIDE, ... Authors: Oebbeke, M, Siefker, C, Heine, A, Klebe, G. Deposit date: 2019-08-30 Release date: 2020-09-09 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.38 Å) Cite: Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
6SNX	Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with benzamide Descriptor: BENZAMIDE, cAMP-dependent protein kinase catalytic subunit alpha Authors: Oebbeke, M, Siefker, C, Heine, A, Klebe, G. Deposit date: 2019-08-27 Release date: 2020-09-09 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.4 Å) Cite: Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
6SPY	Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 6-(morpholin-4-yl)pyridine-3-carboxamide Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 6-morpholin-4-ylpyridine-3-carboxamide, DIMETHYL SULFOXIDE, ... Authors: Oebbeke, M, Siefker, C, Heine, A, Klebe, G. Deposit date: 2019-09-03 Release date: 2020-09-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.6 Å) Cite: Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
6SPS	Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzamide Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(trifluoromethyl)benzamide, DIMETHYL SULFOXIDE, ... Authors: Oebbeke, M, Siefker, C, Heine, A, Klebe, G. Deposit date: 2019-09-02 Release date: 2020-09-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.65 Å) Cite: Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
6SPM	Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 4-(trifluoromethyl)benzoic acid Descriptor: 4-(trifluoromethyl)benzoic acid, DIMETHYL SULFOXIDE, METHANOL, ... Authors: Oebbeke, M, Siefker, C, Heine, A, Klebe, G. Deposit date: 2019-09-02 Release date: 2020-09-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.37 Å) Cite: Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
6SPU	Crystal structure of cAMP-dependent protein kinase A (CHO PKA) in complex with 3-aminobenzoic acid Descriptor: 3-AMINOBENZOIC ACID, DIMETHYL SULFOXIDE, cAMP-dependent protein kinase catalytic subunit alpha Authors: Oebbeke, M, Siefker, C, Heine, A, Klebe, G. Deposit date: 2019-09-02 Release date: 2020-09-30 Last modified: 2024-01-24 Method: X-RAY DIFFRACTION (1.39 Å) Cite: Fragment Binding to Kinase Hinge: If Charge Distribution and Local pK a Shifts Mislead Popular Bioisosterism Concepts. Angew.Chem.Int.Ed.Engl., 60, 2021
8AC0	RNA polymerase at U-rich pause bound to regulatory RNA putL - active, closed clamp state Descriptor: DNA Non-template strand, DNA Template strand, DNA-directed RNA polymerase subunit alpha, ... Authors: Weixlbaumer, A, Dey, S. Deposit date: 2022-07-05 Release date: 2022-10-19 Last modified: 2024-07-24 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Structural insights into RNA-mediated transcription regulation in bacteria. Mol.Cell, 82, 2022
8AD1	RNA polymerase at U-rich pause bound to RNA putL triple mutant - pause prone, closed clamp state Descriptor: DNA-directed RNA polymerase subunit alpha, DNA-directed RNA polymerase subunit beta, DNA-directed RNA polymerase subunit beta', ... Authors: Dey, S, Weixlbaumer, A. Deposit date: 2022-07-07 Release date: 2022-10-19 Last modified: 2024-07-24 Method: ELECTRON MICROSCOPY (4.1 Å) Cite: Structural insights into RNA-mediated transcription regulation in bacteria. Mol.Cell, 82, 2022

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