8I27
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8I4I
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8I2M
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8I1Y
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![BU of 8i1y by Molmil](/molmil-images/mine/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
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8I2A
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8I1W
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8I2C
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8I2L
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8I1Z
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![BU of 8i1z by Molmil](/molmil-images/mine/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
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6O6Y
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![BU of 6o6y by Molmil](/molmil-images/mine/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
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6O7E
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8SX6
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![BU of 8sx6 by Molmil](/molmil-images/mine/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
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8SXL
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![BU of 8sxl by Molmil](/molmil-images/mine/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
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4CT9
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6SH8
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![BU of 6sh8 by Molmil](/molmil-images/mine/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
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6SNN
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![BU of 6snn by Molmil](/molmil-images/mine/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
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6SHB
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![BU of 6shb by Molmil](/molmil-images/mine/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
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6SOX
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![BU of 6sox by Molmil](/molmil-images/mine/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
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6SNX
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![BU of 6snx by Molmil](/molmil-images/mine/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
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6SPY
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![BU of 6spy by Molmil](/molmil-images/mine/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
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6SPS
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![BU of 6sps by Molmil](/molmil-images/mine/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
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6SPM
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![BU of 6spm by Molmil](/molmil-images/mine/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
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6SPU
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![BU of 6spu by Molmil](/molmil-images/mine/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
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8AC0
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8AD1
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