7UUD
 
 | | Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 | | Descriptor: | (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase nsp5 | | Authors: | Yang, K.S, Liu, W.R. | | Deposit date: | 2022-04-28 | | Release date: | 2023-01-25 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | A Novel Y-Shaped, S-O-N-O-S-Bridged Cross-Link between Three Residues C22, C44, and K61 Is Frequently Observed in the SARS-CoV-2 Main Protease.
Acs Chem.Biol., 18, 2023
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8EHH
 | | Crystal structure of the class A extended-spectrum beta-lactamase CTX-M-96 in complex with relebactam at 1.03 Angstrom resolution | | Descriptor: | (2S,5R)-1-formyl-N-(piperidin-4-yl)-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase | | Authors: | Power, P, Ghiglione, B, Bonomo, R.A, Rodriguez, M.M, Gutkind, G, Klinke, S. | | Deposit date: | 2022-09-14 | | Release date: | 2023-09-20 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (1.03 Å) | | Cite: | Biochemical and structural evidences of the activity of relebactam as inhibitor of the extended-spectrum beta-lactamase CTX-M-96.
To be published
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6O4I
 | | Structure of ALDH7A1 mutant E399D complexed with alpha-aminoadipate | | Descriptor: | 1,2-ETHANEDIOL, 2-AMINOHEXANEDIOIC ACID, Alpha-aminoadipic semialdehyde dehydrogenase | | Authors: | Tanner, J.J, Korasick, D.A, Laciak, A.R. | | Deposit date: | 2019-02-28 | | Release date: | 2019-11-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Structural analysis of pathogenic mutations targeting Glu427 of ALDH7A1, the hot spot residue of pyridoxine-dependent epilepsy.
J. Inherit. Metab. Dis., 43, 2020
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7UCX
 | | LRP8 11H1 Fab complexed to a cyclized CR1 peptide | | Descriptor: | 11H1 Fab Heavy chain, 11H1 Fab Light chain, Cyclized CR1 peptide, ... | | Authors: | Argiriadi, M.A, Deng, K, Egan, D, Gao, L, Gizatullin, F, Harlan, J, Karaoglu, D, Qiu, W, Goodearl, A. | | Deposit date: | 2022-03-17 | | Release date: | 2023-01-18 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | The use of cyclic peptide antigens to generate LRP8 specific antibodies
Front Drug Discov (Lausanne), 2, 2023
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5L6G
 | | Xylooligosaccharide oxidase from Myceliophthora thermophila C1 in complex with Xylose | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, FAD linked oxidase-like protein, ... | | Authors: | Rozeboom, H.J, Ferrari, A.R, Fraaije, M.W. | | Deposit date: | 2016-05-30 | | Release date: | 2016-09-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.79 Å) | | Cite: | Discovery of a Xylooligosaccharide Oxidase from Myceliophthora thermophila C1.
J.Biol.Chem., 291, 2016
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6WNA
 | | Next generation monomeric IgG4 Fc | | Descriptor: | Beta-2-microglobulin, IgG receptor FcRn large subunit p51, Immunoglobulin heavy constant gamma 4, ... | | Authors: | Oganesyan, V.Y, Shan, L, van Dyk, N, Dall'Acqua, W.F. | | Deposit date: | 2020-04-22 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
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6WOL
 | | Next generation monomeric IgG4 Fc bound to neonatal Fc receptor | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[2-acetamido-2-deoxy-beta-D-glucopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[beta-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Beta-2-microglobulin, IgG receptor FcRn large subunit p51, ... | | Authors: | Oganesyan, V.Y, Shan, L, van Dyk, N, Dall'Acqua, W.F. | | Deposit date: | 2020-04-24 | | Release date: | 2021-09-15 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | In vivo pharmacokinetic enhancement of monomeric Fc and monovalent bispecific designs through structural guidance.
Commun Biol, 4, 2021
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6WEB
 | | Multi-Hit SFX using MHz XFEL sources | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Holmes, S, Darmanin, C, Abbey, B. | | Deposit date: | 2020-04-01 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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6WGO
 | | The interaction of dichlorido(3-(anthracen-9-ylmethyl)-1-methylimidazol-2-ylidene)(eta6-p-cymene)ruthenium(II) with HEWL after 1 week | | Descriptor: | ACETATE ION, Lysozyme, SODIUM ION, ... | | Authors: | Sullivan, M.P, Hartinger, C.G, Goldstone, D.C. | | Deposit date: | 2020-04-06 | | Release date: | 2021-10-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (1.3 Å) | | Cite: | Anthracenyl Functionalization of Half-Sandwich Carbene Complexes: In Vitro Anticancer Activity and Reactions with Biomolecules.
Inorg.Chem., 60, 2021
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6WEC
 | | Multi-Hit SFX using MHz XFEL sources | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ... | | Authors: | Holmes, S, Darmanin, C, Abbey, B. | | Deposit date: | 2020-04-01 | | Release date: | 2021-10-13 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Megahertz pulse trains enable multi-hit serial femtosecond crystallography experiments at X-ray free electron lasers.
Nat Commun, 13, 2022
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8EJO
 | | Crystal structure of the homeodomain of Platypus sDUX in complex with DNA | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ... | | Authors: | Yin, L.L, Shi, K, Aihara, H. | | Deposit date: | 2022-09-18 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.67 Å) | | Cite: | Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
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8EJP
 | | Crystal structure of the homeodomain of Platypus sDUX in complex with DNA containing 5-Bromouracil | | Descriptor: | 1,2-ETHANEDIOL, DNA (5'-D(*GP*CP*GP*TP*AP*AP*TP*CP*TP*AP*AP*TP*CP*AP*AP*CP*A)-3'), DNA (5'-D(*TP*GP*TP*TP*GP*AP*TP*TP*AP*GP*AP*TP*TP*AP*CP*GP*C)-3'), ... | | Authors: | Yin, L.L, Shi, K, Aihara, H. | | Deposit date: | 2022-09-18 | | Release date: | 2023-09-20 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.174 Å) | | Cite: | Antagonism among DUX family members evolved from an ancestral toxic single homeodomain protein.
Iscience, 26, 2023
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7UVQ
 | | Pfs230 domain 1 bound by RUPA-97 and 15C5 Fabs | | Descriptor: | Fab Heavy Chain, Fab Kappa Light Chain, Gametocyte surface protein P230 | | Authors: | Ivanochko, D, Julien, J.P. | | Deposit date: | 2022-05-02 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.29 Å) | | Cite: | Potent transmission-blocking monoclonal antibodies from naturally exposed individuals target a conserved epitope on Plasmodium falciparum Pfs230.
Immunity, 56, 2023
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7UMX
 | | Crystal structure of Acinetobacter baumannii FabI in complex with NAD and (R,E)-3-(7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl)-N-methyl-N-((3-methylbenzofuran-2-yl)methyl)acrylamide | | Descriptor: | (2E)-3-[(7R)-7-amino-8-oxo-6,7,8,9-tetrahydro-5H-pyrido[2,3-b]azepin-3-yl]-N-methyl-N-[(3-methyl-1-benzofuran-2-yl)methyl]prop-2-enamide, Enoyl-[acyl-carrier-protein] reductase [NADH], NICOTINAMIDE-ADENINE-DINUCLEOTIDE | | Authors: | Hajian, B. | | Deposit date: | 2022-04-08 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.39 Å) | | Cite: | An Iterative Approach Guides Discovery of the FabI Inhibitor Fabimycin, a Late-Stage Antibiotic Candidate with In Vivo Efficacy against Drug-Resistant Gram-Negative Infections
Acs Cent.Sci., 8, 2022
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6WY1
 | | Crystal structure of an engineered thermostable dengue virus 2 envelope protein dimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Dengue 2 soluble recombinant envelope | | Authors: | Kudlacek, S.T, Lakshmanane, P, Kuhlman, B. | | Deposit date: | 2020-05-12 | | Release date: | 2021-11-10 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.42 Å) | | Cite: | Designed, highly expressing, thermostable dengue virus 2 envelope protein dimers elicit quaternary epitope antibodies.
Sci Adv, 7, 2021
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8EIF
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6WW6
 | | Crystal structure of EutV bound to RNA | | Descriptor: | BERYLLIUM TRIFLUORIDE ION, Response regulator, eutP P2 | | Authors: | Ataide, S.F, Walshe, J.L. | | Deposit date: | 2020-05-07 | | Release date: | 2021-11-24 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.8 Å) | | Cite: | Structural characterization of the ANTAR antiterminator domain bound to RNA.
Nucleic Acids Res., 50, 2022
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6X45
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6X41
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8OM6
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8F5Q
 | | Crystal structure of human PCNA in complex with the PIP box of FBH1 | | Descriptor: | F-box DNA helicase 1, Proliferating cell nuclear antigen | | Authors: | Liu, J, Chaves-Arquero, B, Wei, P, Tencer, H, Zhang, G, Blanco, F, Kutateladze, T. | | Deposit date: | 2022-11-15 | | Release date: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Molecular insight into the PCNA-binding mode of FBH1.
Structure, 31, 2023
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7UK6
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7UK8
 | | Apo form of YgiC from Escherichia coli K-12 | | Descriptor: | MAGNESIUM ION, NICKEL (II) ION, Putative acid--amine ligase YgiC, ... | | Authors: | Pederick, J.L, Bruning, J.B. | | Deposit date: | 2022-03-31 | | Release date: | 2023-02-15 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Escherichia coli YgiC and YjfC Possess Peptide─Spermidine Ligase Activity.
Biochemistry, 62, 2023
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8P4J
 | | Alpha-1-antitrypsin - Sydney variant (G192C) | | Descriptor: | Alpha-1-antitrypsin | | Authors: | Kamuda, K, Lomas, D.A, Irving, J.A. | | Deposit date: | 2023-05-22 | | Release date: | 2024-04-03 | | Last modified: | 2024-07-17 | | Method: | X-RAY DIFFRACTION (1.91 Å) | | Cite: | A novel pathological mutant reveals the role of torsional flexibility in the serpin breach in adoption of an aggregation-prone intermediate.
Febs J., 291, 2024
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8OZO
 | | Populus tremula stable protein 1 with N-terminal binding peptide extension | | Descriptor: | Stable protein 1 | | Authors: | Sklyar, J, Zeibaq, Y, Bachar, O, Yehezkeli, O, Adir, N. | | Deposit date: | 2023-05-09 | | Release date: | 2024-03-27 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A Bioengineered Stable Protein 1-Hemin Complex with Enhanced Peroxidase-Like Catalytic Properties
Small Science, 2024
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