6MJZ
 
 | | Cryo-EM structure of Human Parainfluenza Virus Type 3 (hPIV3) in complex with antibody PIA174 | | Descriptor: | Fusion glycoprotein F0, PIA174 Fab Heavy chain, PIA174 Fab Light chain | | Authors: | Acharya, P, Stewart-Jones, G, Carragher, B, Potter, C.S, Kwong, P.D. | | Deposit date: | 2018-09-24 | | Release date: | 2018-11-14 | | Last modified: | 2019-12-18 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structure-based design of a quadrivalent fusion glycoprotein vaccine for human parainfluenza virus types 1-4.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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8F01
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8F05
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8EZX
 | | Lysozyme Anomalous Dataset at 293 K and 7.1 keV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | | Deposit date: | 2022-11-01 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
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8EW8
 | | Crystal structure of Saccharomyces cerevisiae Altered Inheritance rate of Mitochondria protein 18 (AIM18p) R123A mutant | | Descriptor: | Altered inheritance of mitochondria protein 18, mitochondrial, SULFATE ION | | Authors: | Bingman, C.A, Schmitz, J.M, Smith, R.W, Pagliarini, D.J. | | Deposit date: | 2022-10-21 | | Release date: | 2023-03-22 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | Aim18p and Aim46p are chalcone isomerase domain-containing mitochondrial hemoproteins in Saccharomyces cerevisiae.
J.Biol.Chem., 299, 2023
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6MPT
 | | TagT bound to LI-WTA | | Descriptor: | 2-(acetylamino)-2-deoxy-1-O-[(S)-{[(R)-{[(2Z,6Z,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]oxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]-alpha-D-glucopyranose, CHLORIDE ION, Polyisoprenyl-teichoic acid--peptidoglycan teichoic acid transferase TagT | | Authors: | Owens, T.W, Schaefer, K, Kahne, D, Walker, S. | | Deposit date: | 2018-10-08 | | Release date: | 2018-10-17 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (1.649 Å) | | Cite: | Substrate Preferences Establish the Order of Cell Wall Assembly in Staphylococcus aureus.
J. Am. Chem. Soc., 140, 2018
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5JTU
 | | Crystal structure of GPb in complex with 8b | | Descriptor: | (1S)-1,5-anhydro-1-[5-(naphthalen-2-yl)-1H-imidazol-2-yl]-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | Authors: | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2016-05-09 | | Release date: | 2016-08-24 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
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8F0B
 | | Lysozyme Anomalous Dataset at 240 K and 7.1 keV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | | Deposit date: | 2022-11-02 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
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8CCI
 | | Crystal structure of Mycobacterium smegmatis thioredoxin reductase | | Descriptor: | FLAVIN-ADENINE DINUCLEOTIDE, GLYCEROL, MAGNESIUM ION, ... | | Authors: | Fuesser, F.T, Koch, O, Kuemmel, D. | | Deposit date: | 2023-01-27 | | Release date: | 2023-07-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Novel starting points for fragment-based drug design against mycobacterial thioredoxin reductase identified using crystallographic fragment screening.
Acta Crystallogr D Struct Biol, 79, 2023
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8CGD
 | | Clindamycin bound to the 50S subunit | | Descriptor: | 23S rRNA, 50S ribosomal protein L15, 50S ribosomal protein L25, ... | | Authors: | Paternoga, H, Koller, T.O, Beckert, B, Wilson, D.N. | | Deposit date: | 2023-02-03 | | Release date: | 2023-07-26 | | Last modified: | 2023-11-15 | | Method: | ELECTRON MICROSCOPY (1.98 Å) | | Cite: | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
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8F07
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6V3K
 | | Structure of HIV cleaved synaptic complex (CSC) intasome bound with magnesium and INSTI XZ419 (compound 4c) | | Descriptor: | 4-azanyl-N-[[2,4-bis(fluoranyl)phenyl]methyl]-1-oxidanyl-2-oxidanylidene-6-(5-oxidanylpentyl)-1,8-naphthyridine-3-carboxamide, Chimeric Sso7d and HIV-1 integrase, MAGNESIUM ION, ... | | Authors: | Lyumkis, D, Jozwik, I.K, Passos, D. | | Deposit date: | 2019-11-25 | | Release date: | 2020-02-12 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (3.4 Å) | | Cite: | Structural basis for strand-transfer inhibitor binding to HIV intasomes.
Science, 367, 2020
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7NBP
 | | Solution structure of DNA duplex containing a 7,8-dihydro-8-oxo-1,N6-ethenoadenine base modification that induces exclusively A->T transversions in Escherichia coli | | Descriptor: | DNA (5'-D(*CP*AP*TP*GP*AP*GP*TP*AP*C)-3'), DNA (5'-D(*GP*TP*AP*CP*(EDA)P*CP*AP*TP*G)-3') | | Authors: | Aralov, A.V, Gubina, N, Cabrero, C, Tsvetkov, V.B, Turaev, A.V, Fedeles, B.I, Croy, R.G, Isaakova, E.A, Melnik, D, Dukova, S, Khrulev, A.A, Varizhuk, A.M, Gonzalez, C, Zatsepin, T.S, Essigmann, J.M. | | Deposit date: | 2021-01-27 | | Release date: | 2022-03-02 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | 7,8-Dihydro-8-oxo-1,N6-ethenoadenine: an exclusively Hoogsteen-paired thymine mimic in DNA that induces A→T transversions in Escherichia coli.
Nucleic Acids Res., 50, 2022
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5JTT
 | | Crystal structure of GPb in complex with 8a | | Descriptor: | (1S)-1,5-anhydro-1-(5-phenyl-1H-imidazol-2-yl)-D-glucitol, DIMETHYL SULFOXIDE, Glycogen phosphorylase, ... | | Authors: | Kantsadi, A.L, Stravodimos, G.A, Chatzileontiadou, D.S.M, Leonidas, D.D. | | Deposit date: | 2016-05-09 | | Release date: | 2016-08-24 | | Last modified: | 2018-01-17 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Synthetic, enzyme kinetic, and protein crystallographic studies of C-beta-d-glucopyranosyl pyrroles and imidazoles reveal and explain low nanomolar inhibition of human liver glycogen phosphorylase.
Eur.J.Med.Chem., 123, 2016
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6MVQ
 | | HCV NS5B 1b N316 bound to Compound 31 | | Descriptor: | (4-{1-[5-cyclopropyl-2-(4-fluorophenyl)-3-(methylcarbamoyl)-1-benzofuran-6-yl]-1H-1,2,4-triazol-5-yl}-2-fluorophenyl)boronic acid, HCV Polymerase | | Authors: | Williams, S.P, Kahler, K, Price, D.J, Peat, A.J. | | Deposit date: | 2018-10-26 | | Release date: | 2019-09-04 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.14 Å) | | Cite: | Design of N-Benzoxaborole Benzofuran GSK8175-Optimization of Human Pharmacokinetics Inspired by Metabolites of a Failed Clinical HCV Inhibitor.
J.Med.Chem., 62, 2019
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8F03
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8F00
 | | Lysozyme Anomalous Dataset at 293 K and 12 keV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | | Deposit date: | 2022-11-01 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
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7NBU
 | | Structure of the HigB1 toxin mutant K95A from Mycobacterium tuberculosis (Rv1955) and its target, the cspA mRNA, on the E. coli Ribosome. | | Descriptor: | 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ... | | Authors: | Giudice, E, Mansour, M, Chat, S, D'Urso, G, Gillet, R, Genevaux, P. | | Deposit date: | 2021-01-27 | | Release date: | 2022-03-02 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (3.11 Å) | | Cite: | Substrate recognition and cryo-EM structure of the ribosome-bound TAC toxin of Mycobacterium tuberculosis.
Nat Commun, 13, 2022
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8EZU
 | | Lysozyme Anomalous Dataset at 273 K and 7.1 keV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | | Deposit date: | 2022-11-01 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.901 Å) | | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
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7PJI
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8CGR
 | | Apramycin bound to the 30S body | | Descriptor: | 16S rRNA, 23S rRNA, 30S ribosomal protein S16, ... | | Authors: | Paternoga, H, Koller, T.O, Beckert, B, Wilson, D.N. | | Deposit date: | 2023-02-06 | | Release date: | 2023-07-26 | | Last modified: | 2024-04-24 | | Method: | ELECTRON MICROSCOPY (2.12 Å) | | Cite: | Structural conservation of antibiotic interaction with ribosomes.
Nat.Struct.Mol.Biol., 30, 2023
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7POB
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE, SODIUM ION | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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8EZP
 | | Lysozyme Anomalous Dataset at 260 K and 7.1 keV | | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Lysozyme C, ... | | Authors: | Doukov, T, Yabukarski, F, Herschlag, D. | | Deposit date: | 2022-11-01 | | Release date: | 2023-03-15 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Obtaining anomalous and ensemble information from protein crystals from 220 K up to physiological temperatures.
Acta Crystallogr D Struct Biol, 79, 2023
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7POC
 | | An Irreversible, Promiscuous and Highly Thermostable Claisen-Condensation Biocatalyst Drives the Synthesis of Substituted Pyrroles | | Descriptor: | 8-amino-7-oxononanoate synthase/2-amino-3-ketobutyrate coenzyme A ligase, PYRIDOXAL-5'-PHOSPHATE | | Authors: | Basle, A, Ashley, B, Campopiano, D, Marles-Wright, J. | | Deposit date: | 2021-09-08 | | Release date: | 2022-09-21 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Versatile Chemo-Biocatalytic Cascade Driven by a Thermophilic and Irreversible C-C Bond-Forming alpha-Oxoamine Synthase.
Acs Sustain Chem Eng, 11, 2023
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6P26
 | | Escherichia coli tRNA synthetase in complex with compound 1 | | Descriptor: | N-benzyl-2-(cyclohex-1-en-1-yl)ethan-1-amine, Phenylalanine--tRNA ligase alpha subunit, Phenylalanine--tRNA ligase beta subunit | | Authors: | Kahne, D, Baidin, V, Owens, T.W. | | Deposit date: | 2019-05-21 | | Release date: | 2020-11-18 | | Last modified: | 2023-10-11 | | Method: | X-RAY DIFFRACTION (3.16 Å) | | Cite: | Simple Secondary Amines Inhibit Growth of Gram-Negative Bacteria through Highly Selective Binding to Phenylalanyl-tRNA Synthetase.
J.Am.Chem.Soc., 143, 2021
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