7QZI
 
 | | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 113 | | Descriptor: | (2~{R})-~{N}-(2,2-dimethylpropyl)-1-[4-(4-ethanoyl-3-ethyl-5-methyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]piperazine-2-carboxamide, 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2A, ... | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2022-01-31 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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6NPQ
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8D8O
 | | Cryo-EM structure of substrate unbound PAPP-A | | Descriptor: | Pappalysin-1, ZINC ION | | Authors: | Judge, R.A, Jain, R, Hao, Q, Ouch, C, Sridar, J, Smith, C.L, Wang, J.C.K, Eaton, D. | | Deposit date: | 2022-06-08 | | Release date: | 2022-09-28 | | Method: | ELECTRON MICROSCOPY (3.35 Å) | | Cite: | Structure of the PAPP-ABP5 complex reveals mechanism of substrate recognition
Nat Commun, 13, 2022
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7BE6
 | | Structure of DDR1 receptor tyrosine kinase in complex with inhibitor SR159 | | Descriptor: | 1,2-ETHANEDIOL, 5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide, Epithelial discoidin domain-containing receptor 1, ... | | Authors: | Pinkas, D.M, Bufton, J.C, Roehm, S, Joerger, A.C, Knapp, S, Bullock, A.N, Structural Genomics Consortium (SGC) | | Deposit date: | 2020-12-22 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.87081933 Å) | | Cite: | Development of a Selective Dual Discoidin Domain Receptor (DDR)/p38 Kinase Chemical Probe.
J.Med.Chem., 64, 2021
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7QI8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE AND INHIBITOR | | Descriptor: | 2-azanyl-6-[(1~{S},7~{S})-2,2-bis(fluoranyl)-7-oxidanyl-cycloheptyl]-4-methoxy-7~{H}-pyrrolo[3,4-d]pyrimidin-5-one, LYSINE, Lysine--tRNA ligase 1 | | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | Deposit date: | 2021-12-14 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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8FQT
 | | Apo ADC-219 beta-lactamase | | Descriptor: | Beta-lactamase, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Maurer, O.L. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.89 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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6NLI
 | | 1.90 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 11) | | Descriptor: | 4-{[(2-hydroxyphenyl)methyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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8FQM
 | | ADC-7 in complex with boronic acid transition state inhibitor MB076 | | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, GLYCINE | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.53 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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5ND9
 | | Hibernating ribosome from Staphylococcus aureus (Rotated state) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Khusainov, I, Vicens, Q, Ayupov, R, Usachev, K, Myasnikov, A, Simonetti, A, Validov, S, Kieffer, B, Yusupova, G, Yusupov, M, Hashem, Y. | | Deposit date: | 2017-03-07 | | Release date: | 2017-06-28 | | Last modified: | 2024-05-15 | | Method: | ELECTRON MICROSCOPY (3.7 Å) | | Cite: | Structures and dynamics of hibernating ribosomes from Staphylococcus aureus mediated by intermolecular interactions of HPF.
EMBO J., 36, 2017
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8FQO
 | | ADC-33 in complex with boronic acid transition state inhibitor MB076 | | Descriptor: | 1-[(2R)-2-{2-[(5-amino-1,3,4-thiadiazol-2-yl)sulfanyl]acetamido}-2-boronoethyl]-1H-1,2,3-triazole-4-carboxylic acid, Beta-lactamase, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.83 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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7QHN
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE and an inhibitor | | Descriptor: | 6-azanyl-2-cyclohexyl-4-fluoranyl-1~{H}-pyrrolo[3,4-c]pyridin-3-one, LYSINE, Lysine--tRNA ligase 1 | | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | Deposit date: | 2021-12-13 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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6Q1Z
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8FQN
 | | apo ADC-33 beta-lactamase | | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fish, E.R. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.256 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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7QH8
 | | CRYSTAL STRUCTURE OF LYSYL-TRNA SYNTHETASE FROM Mycobacterium tuberculosis COMPLEXED WITH L-LYSINE | | Descriptor: | GLYCEROL, LYSINE, Lysine--tRNA ligase 1 | | Authors: | Dawson, A, Robinson, D.A, Tamjar, J, Wyatt, P, Green, S. | | Deposit date: | 2021-12-10 | | Release date: | 2022-10-19 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.92 Å) | | Cite: | Lysyl-tRNA synthetase, a target for urgently needed M. tuberculosis drugs.
Nat Commun, 13, 2022
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8FQP
 | | apo ADC-162 beta-lactamase | | Descriptor: | Beta-lactamase, GLYCINE, PHOSPHATE ION | | Authors: | Powers, R.A, Wallar, B.J, June, C.M, Fernando, M.C. | | Deposit date: | 2023-01-06 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-22 | | Method: | X-RAY DIFFRACTION (1.419 Å) | | Cite: | Synthesis of a Novel Boronic Acid Transition State Inhibitor, MB076: A Heterocyclic Triazole Effectively Inhibits Acinetobacter -Derived Cephalosporinase Variants with an Expanded-Substrate Spectrum.
J.Med.Chem., 66, 2023
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6WLU
 | | V. cholerae glycine riboswitch with glycine models, 5.7 Angstrom resolution | | Descriptor: | RNA (231-MER) | | Authors: | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | | Deposit date: | 2020-04-20 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (5.7 Å) | | Cite: | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
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6WLK
 | | Apo ATP-TTR-3 models, 10.0 Angstrom resolution | | Descriptor: | RNA (130-MER) | | Authors: | Kappel, K, Zhang, K, Su, Z, Watkins, A.M, Kladwang, W, Li, S, Pintilie, G, Topkar, V.V, Rangan, R, Zheludev, I.N, Yesselman, J.D, Chiu, W, Das, R. | | Deposit date: | 2020-04-20 | | Release date: | 2020-07-08 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Accelerated cryo-EM-guided determination of three-dimensional RNA-only structures.
Nat.Methods, 17, 2020
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7QDD
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6PZD
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6NC9
 | | Lipid II flippase MurJ, outward-facing conformation | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2S)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, Lipid II flippase MurJ, ... | | Authors: | Kuk, A.C.Y, Lee, S.-Y. | | Deposit date: | 2018-12-11 | | Release date: | 2019-04-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Visualizing conformation transitions of the Lipid II flippase MurJ.
Nat Commun, 10, 2019
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6NIA
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5LZC
 | | Structure of SelB-Sec-tRNASec bound to the 70S ribosome in the codon reading state (CR) | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Fischer, N, Neumann, P, Bock, L.V, Maracci, C, Wang, Z, Paleskava, A, Konevega, A.L, Schroeder, G.F, Grubmueller, H, Ficner, R, Rodnina, M.V, Stark, H. | | Deposit date: | 2016-09-29 | | Release date: | 2016-11-23 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (4.8 Å) | | Cite: | The pathway to GTPase activation of elongation factor SelB on the ribosome.
Nature, 540, 2016
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7Q3A
 | | Crystal structure of MAB_4324 a tandem repeat GNAT from Mycobacterium abscessus | | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ACETATE ION, ... | | Authors: | Blaise, M, Alsarraf, M.A.B. | | Deposit date: | 2021-10-27 | | Release date: | 2022-05-04 | | Last modified: | 2024-06-19 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Biochemical, structural, and functional studies reveal that MAB_4324c from Mycobacterium abscessus is an active tandem repeat N-acetyltransferase.
Febs Lett., 596, 2022
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6PU9
 | | Crystal Structure of the Type B Chloramphenicol O-Acetyltransferase from Vibrio vulnificus | | Descriptor: | 1,2-ETHANEDIOL, Acetyltransferase, CHLORIDE ION | | Authors: | Kim, Y, Maltseva, N, Mulligan, R, Grimshaw, S, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID) | | Deposit date: | 2019-07-17 | | Release date: | 2019-08-14 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Structural and functional characterization of three Type B and C chloramphenicol acetyltransferases from Vibrio species.
Protein Sci., 29, 2020
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6NLN
 | | 1.60 A resolution structure of WT BfrB from Pseudomonas aeruginosa in complex with a protein-protein interaction inhibitor (analog 16) | | Descriptor: | 4-{[3-(3-hydroxyphenyl)propyl]amino}-1H-isoindole-1,3(2H)-dione, FE (II) ION, Ferroxidase, ... | | Authors: | Lovell, S, Punchi-Hewage, A, Battaile, K.P, Yao, H, Nammalwar, B, Gnanasekaran, K.K, Bunce, R.A, Reitz, A.B, Rivera, M. | | Deposit date: | 2019-01-08 | | Release date: | 2019-05-08 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Small Molecule Inhibitors of the BfrB-Bfd Interaction Decrease Pseudomonas aeruginosa Fitness and Potentiate Fluoroquinolone Activity.
J.Am.Chem.Soc., 141, 2019
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