7ZUK
 
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with lactone 7Az - Streptococcus pneumoniae R6 | | Descriptor: | 6-azido-N-[(2S)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.631 Å) | | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
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7ZUL
 | | PENICILLIN-BINDING PROTEIN 1B (PBP-1B) in complex with 8Az lactone - Streptococcus pneumoniae R6 | | Descriptor: | 6-azido-N-[(2R)-1-oxidanylidene-1-[[(2S,3R)-3-oxidanyl-1-oxidanylidene-butan-2-yl]amino]-3-phenyl-propan-2-yl]hexanamide, CHLORIDE ION, Penicillin-binding protein 1b | | Authors: | Flanders, P.L, Contreras-Martel, C, Martins, A, Brown, N.W, Shirley, J.D, Nauta, K.M, Dessen, A, Carlson, E.E, Ambrose, E.A. | | Deposit date: | 2022-05-12 | | Release date: | 2022-11-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.744 Å) | | Cite: | Combined Structural Analysis and Molecular Dynamics Reveal Penicillin-Binding Protein Inhibition Mode with beta-Lactones.
Acs Chem.Biol., 17, 2022
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7ZUS
 | | Crystal structure of ternary complex of Pol theta polymerase domain | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), DNA (5'-D(P*TP*TP*CP*CP*AP*AP*TP*GP*AP*CP*AP*GP*CP*CP*GP*C)-3'), ... | | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | Deposit date: | 2022-05-13 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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7ZUW
 | | Structure of RQT (C1) bound to the stalled ribosome in a disome unit from S. cerevisiae | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R. | | Deposit date: | 2022-05-13 | | Release date: | 2023-02-22 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
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7ZUX
 | | Collided ribosome in a disome unit from S. cerevisiae | | Descriptor: | 18S ribosomal RNA, 25S ribosomal RNA, 40S ribosomal protein S0-A, ... | | Authors: | Best, K.M, Ikeuchi, K, Kater, L, Best, D.M, Musial, J, Matsuo, Y, Berninghausen, O, Becker, T, Inada, T, Beckmann, R. | | Deposit date: | 2022-05-13 | | Release date: | 2023-02-22 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | Structural basis for clearing of ribosome collisions by the RQT complex.
Nat Commun, 14, 2023
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7ZW0
 | | FAP-80S Complex - Rotated state | | Descriptor: | 18S ribosomal RNA (RDN18-1), 25S ribosomal RNA (RDN25-1), 40S ribosomal protein S0-A, ... | | Authors: | Ikeuchi, K, Buschauer, R, Berninghausen, O, Becker, T, Beckmann, R. | | Deposit date: | 2022-05-17 | | Release date: | 2022-10-05 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (2.4 Å) | | Cite: | Sensing of individual stalled 80S ribosomes by Fap1 for nonfunctional rRNA turnover.
Mol.Cell, 82, 2022
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7ZW3
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7ZWB
 | | human Carbonic Anhydrase II in complex with 4-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)thio)benzenesulfonamide | | Descriptor: | 4-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]sulfanylbenzenesulfonamide, Carbonic anhydrase 2, ZINC ION | | Authors: | Angeli, A, Ferraroni, M. | | Deposit date: | 2022-05-19 | | Release date: | 2023-05-31 | | Last modified: | 2024-06-12 | | Method: | X-RAY DIFFRACTION (1.48 Å) | | Cite: | First-in-Class Dual Targeting Compounds for the Management of Seizures in Glucose Transporter Type 1 Deficiency Syndrome.
J.Med.Chem., 66, 2023
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7ZWD
 | | Structure of SNAPc containing Pol II pre-initiation complex bound to U5 snRNA promoter (CC) | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P. | | Deposit date: | 2022-05-19 | | Release date: | 2022-11-30 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
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7ZX0
 | | Crystal structure of Pol theta polymerase domain in complex with compound 5 | | Descriptor: | 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, 2-[5-bromanyl-3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]oxy-~{N}-ethyl-~{N}-(3-methylphenyl)ethanamide, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | Deposit date: | 2022-05-19 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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7ZX1
 | | Crystal structure of Pol theta polymerase domain in complex with compound 22 | | Descriptor: | (2~{S},3~{R})-1-[3-cyano-6-methyl-4-(trifluoromethyl)pyridin-2-yl]-~{N}-methyl-~{N}-(3-methylphenyl)-3-oxidanyl-pyrrolidine-2-carboxamide, 2'-3'-DIDEOXYGUANOSINE-5'-TRIPHOSPHATE, DNA (5'-D(*GP*CP*GP*GP*CP*TP*GP*TP*CP*AP*TP*TP*(DDG))-3'), ... | | Authors: | Krajewski, W.W, Turnbull, A.P, Willis, S, Charles, M, Stockley, M, Heald, R.A. | | Deposit date: | 2022-05-19 | | Release date: | 2022-10-12 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.829 Å) | | Cite: | Discovery, Characterization, and Structure-Based Optimization of Small-Molecule In Vitro and In Vivo Probes for Human DNA Polymerase Theta.
J.Med.Chem., 65, 2022
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7ZX7
 | | Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (CC) | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P. | | Deposit date: | 2022-05-20 | | Release date: | 2022-11-30 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
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7ZX8
 | | Structure of SNAPc containing Pol II pre-initiation complex bound to U1 snRNA promoter (OC) | | Descriptor: | DNA-directed RNA polymerase II subunit E, DNA-directed RNA polymerase II subunit F, DNA-directed RNA polymerase II subunit RPB3, ... | | Authors: | Rengachari, S, Schilbach, S, Kaliyappan, T, Gouge, J, Zumer, K, Schwarz, J, Urlaub, H, Dienemann, C, Vannini, A, Cramer, P. | | Deposit date: | 2022-05-20 | | Release date: | 2022-12-07 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structural basis of SNAPc-dependent snRNA transcription initiation by RNA polymerase II.
Nat.Struct.Mol.Biol., 29, 2022
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8A07
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8A18
 | | 1.63 A resolution hydroquinone inhibited Sporosarcina pasteurii urease | | Descriptor: | 1,2-ETHANEDIOL, HYDROXIDE ION, NICKEL (II) ION, ... | | Authors: | Mazzei, L, Ciurli, S, Cianci, M. | | Deposit date: | 2022-06-01 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.63 Å) | | Cite: | Inhibition of Urease by Hydroquinones: A Structural and Kinetic Study.
Chemistry, 28, 2022
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8A1D
 | | Structure of murine perforin-2 (Mpeg1) pore in ring form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CYCLOHEXYL-HEXYL-BETA-D-MALTOSIDE, Macrophage-expressed gene 1 protein | | Authors: | Yu, X, Ni, T, Zhang, P, Gilbert, R. | | Deposit date: | 2022-06-01 | | Release date: | 2022-07-20 | | Last modified: | 2022-12-14 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Cryo-EM structures of perforin-2 in isolation and assembled on a membrane suggest a mechanism for pore formation.
Embo J., 41, 2022
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8A1S
 | | Structure of murine perforin-2 (Mpeg1) pore in twisted form | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Macrophage-expressed gene 1 protein | | Authors: | Yu, X, Ni, T, Zhang, P, Gilbert, R. | | Deposit date: | 2022-06-02 | | Release date: | 2022-07-20 | | Last modified: | 2023-10-18 | | Method: | ELECTRON MICROSCOPY (4 Å) | | Cite: | Cryo-EM structures of perforin-2 in isolation and assembled on a membrane suggest a mechanism for pore formation.
Embo J., 41, 2022
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8A22
 | | Structure of the mitochondrial ribosome from Polytomella magna | | Descriptor: | ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, POTASSIUM ION, ... | | Authors: | Tobiasson, V, Berzina, I, Amunts, A. | | Deposit date: | 2022-06-02 | | Release date: | 2022-11-16 | | Last modified: | 2022-11-23 | | Method: | ELECTRON MICROSCOPY (2.91 Å) | | Cite: | Structure of a mitochondrial ribosome with fragmented rRNA in complex with membrane-targeting elements.
Nat Commun, 13, 2022
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8A2E
 | | Crystal Structure of Human Parechovirus 3 2A protein | | Descriptor: | 2A protein, GLYCEROL, SULFATE ION | | Authors: | von Castelmur, E, Zhu, L, wang, X, Fry, E, Ren, J, Perrakis, A, Stuart, D.I. | | Deposit date: | 2022-06-03 | | Release date: | 2023-06-14 | | Last modified: | 2024-02-14 | | Method: | X-RAY DIFFRACTION (2.29 Å) | | Cite: | Structural plasticity of 2A proteins in the Parechovirus family.
To Be Published
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8A2L
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8A2M
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8A34
 | | MTH1 in complex with TH013071 | | Descriptor: | 5-(2-phenylphenyl)-1H-pyrimidine-2,4-dione, 7,8-dihydro-8-oxoguanine triphosphatase, ACETATE ION, ... | | Authors: | Liu, H, Scaletti, E, Stenmark, P. | | Deposit date: | 2022-06-07 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | MTH1 in complex with TH013071
To Be Published
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8A39
 | | Crystal Structure of PaaX from Escherichia coli W | | Descriptor: | DNA-binding transcriptional repressor of phenylacetic acid degradation, aryl-CoA responsive, GLYCEROL, ... | | Authors: | Molina, R, Alba-Perez, A, Hermoso, J.A. | | Deposit date: | 2022-06-07 | | Release date: | 2023-07-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural characterization of PaaX, the main repressor of the phenylacetate degradation pathway in Escherichia coli W: A novel fold of transcription regulator proteins.
Int.J.Biol.Macromol., 254, 2024
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8A3D
 | | Human mature large subunit of the ribosome with eIF6 and homoharringtonine bound | | Descriptor: | (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine, 28S ribosomal RNA, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... | | Authors: | Faille, A, Warren, A.J, Dent, K.C. | | Deposit date: | 2022-06-08 | | Release date: | 2023-03-08 | | Last modified: | 2024-07-24 | | Method: | ELECTRON MICROSCOPY (1.67 Å) | | Cite: | The chemical landscape of the human ribosome at 1.67 angstrom resolution.
Biorxiv, 2023
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8A3F
 | | Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii from isotropic tetragonal data at 3.15 A | | Descriptor: | PYRROLE-2-CARBOXYLATE, Proline racemase A (AsProR) | | Authors: | Najmudin, S, Pan, X.-S, McAuley, K.E, Fisher, L.M, Sanderson, M.R. | | Deposit date: | 2022-06-08 | | Release date: | 2023-07-05 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (3.15 Å) | | Cite: | Structural and Functional analysis of the Proline Racemase (ProR) from the Gram-positive bacterium Acetoanaerobium sticklandii
To Be Published
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