8OFE
 
 | | E.coli Peptide Deformylase with bound inhibitor | | Descriptor: | (2R)-2-[[methanoyl(oxidanyl)amino]methyl]-N-[(2S)-3-methyl-1-oxidanylidene-1-[2-(sulfanylmethyl)pyrrolidin-1-yl]butan-2-yl]heptanamide, Peptide deformylase, ZINC ION | | Authors: | Kirschner, H, Stoll, R, Hofmann, E. | | Deposit date: | 2023-03-15 | | Release date: | 2023-12-27 | | Last modified: | 2024-04-10 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Structural Insights into Antibacterial Payload Release from Gold Nanoparticles Bound to E. coli Peptide Deformylase.
Chemmedchem, 19, 2024
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9D3D
 | | Cryo-EM structure of PGT145 R100aS Fab bound to HIV-1 BG505 DS-SOSIP.664 Env trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP glycoprotein gp41, ... | | Authors: | Hodges, S, Morano, N.C, Shapiro, L, Kwong, P.D, Gorman, J. | | Deposit date: | 2024-08-09 | | Release date: | 2024-12-25 | | Last modified: | 2025-02-05 | | Method: | ELECTRON MICROSCOPY (3.41 Å) | | Cite: | Structural development of the HIV-1 apex-directed PGT145-PGDM1400 antibody lineage.
Cell Rep, 44, 2025
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6J6F
 | | Ligand binding domain 1 and 2 of Talaromyces marneffei Mp1 protein | | Descriptor: | Envelope glycoprotein, NICKEL (II) ION | | Authors: | Lam, W.H, Zhang, H, Hao, Q. | | Deposit date: | 2019-01-15 | | Release date: | 2019-03-06 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (4.2 Å) | | Cite: | Talaromyces marneffeiMp1 Protein, a Novel Virulence Factor, Carries Two Arachidonic Acid-Binding Domains To Suppress Inflammatory Responses in Hosts.
Infect. Immun., 87, 2019
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8YND
 | | ATP-grasp peptide ligase from Streptomyces | | Descriptor: | ATP-grasp peptide ligase | | Authors: | Xu, M.J, Yan, Y.Q. | | Deposit date: | 2024-03-11 | | Release date: | 2025-02-19 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (2.19 Å) | | Cite: | Structural Insights into the Substrate Recognition Mechanism of an ATP-Grasp Peptide-Ligase Producing Diverse Dipeptides Containing Unnatural Amino Acids
Acs Catalysis, 15, 2025
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8YNQ
 | | ATP-grasp peptide ligase from Streptomyces | | Descriptor: | 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Xu, M.J, Yan, Y.Q. | | Deposit date: | 2024-03-11 | | Release date: | 2025-02-19 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Structural Insights into the Substrate Recognition Mechanism of an ATP-Grasp Peptide-Ligase Producing Diverse Dipeptides Containing Unnatural Amino Acids
Acs Catalysis, 15, 2025
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7UTF
 | | Structure-Function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol | | Descriptor: | CITRATE ANION, Putative oxidoreductase, aryl-alcohol dehydrogenase like protein, ... | | Authors: | Abraham, N, Schroeter, K.L, Kimber, M.S, Seah, S.Y.K. | | Deposit date: | 2022-04-26 | | Release date: | 2022-09-07 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | Structure-function characterization of an aldo-keto reductase involved in detoxification of the mycotoxin, deoxynivalenol.
Sci Rep, 12, 2022
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9BU8
 | | Vaccine elicited Fab c115.131 with influenza H10 JD13 HA trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab c115.131 heavy chain, Fab c115.131 light chain, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2024-05-16 | | Release date: | 2024-11-27 | | Last modified: | 2025-01-22 | | Method: | ELECTRON MICROSCOPY (3.96 Å) | | Cite: | Vaccination with different group 2 influenza subtypes alters epitope targeting and breadth of hemagglutinin stem-specific human B cells.
Sci Transl Med, 17, 2025
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9BU6
 | | Vaccine elicited Fab C968.180 with influenza H10 JD13 HA trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab C968.180 heavy chain, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2024-05-16 | | Release date: | 2024-11-27 | | Last modified: | 2025-01-22 | | Method: | ELECTRON MICROSCOPY (3.65 Å) | | Cite: | Vaccination with different group 2 influenza subtypes alters epitope targeting and breadth of hemagglutinin stem-specific human B cells.
Sci Transl Med, 17, 2025
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9DMB
 | | Rhesus RHA10.01 Fab in complex with HIV-1 Env BG505 DS-SOSIP trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BG505 DS-SOSIP glycoprotein gp41, ... | | Authors: | Gorman, J, Kwong, P.D. | | Deposit date: | 2024-09-12 | | Release date: | 2025-06-18 | | Last modified: | 2025-06-25 | | Method: | ELECTRON MICROSCOPY (4.27 Å) | | Cite: | Transient glycan shield reduction induces CD4-binding site broadly neutralizing antibodies in SHIV-infected macaques.
Cell Rep, 44, 2025
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7BH4
 | | XFEL structure of apo CTX-M-15 after mixing for 0.7 sec with ertapenem using a piezoelectric injector (PolyPico) | | Descriptor: | Beta-lactamase, SULFATE ION | | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | Deposit date: | 2021-01-10 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BHN
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7BH5
 | | XFEL structure of the ertapenem-derived CTX-M-15 acylenzyme after mixing for 2 sec using a piezoelectric injector (PolyPico) | | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | Deposit date: | 2021-01-10 | | Release date: | 2021-07-21 | | Last modified: | 2024-11-20 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BHM
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7BH7
 | | Room temperature, serial X-ray structure of the ertapenem-derived acylenzyme of CTX-M-15 (10 min soak) collected on fixed target chips at Diamond Light Source I24 | | Descriptor: | (2~{S},3~{R},4~{R})-3-[5-[(3-carboxyphenyl)carbamoyl]pyrrolidin-3-yl]sulfanyl-4-methyl-5-[(2~{S},3~{R})-3-oxidanyl-1-oxidanylidene-butan-2-yl]-3,4-dihydro-2~{H}-pyrrole-2-carboxylic acid, Beta-lactamase, CHLORIDE ION, ... | | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | Deposit date: | 2021-01-10 | | Release date: | 2021-07-21 | | Last modified: | 2024-11-13 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BHK
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7BH3
 | | XFEL structure of CTX-M-15 resting state | | Descriptor: | Beta-lactamase, CHLORIDE ION, SULFATE ION | | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | Deposit date: | 2021-01-10 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BH6
 | | Room temperature, serial X-ray structure of CTX-M-15 collected on fixed target chips at Diamond Light Source I24 | | Descriptor: | Beta-lactamase, CHLORIDE ION, SODIUM ION, ... | | Authors: | Hinchliffe, P, Tooke, C.L, Butryn, A, Spencer, J. | | Deposit date: | 2021-01-10 | | Release date: | 2021-07-21 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | An on-demand, drop-on-drop method for studying enzyme catalysis by serial crystallography.
Nat Commun, 12, 2021
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7BHL
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8TDQ
 | | SFX-XFEL structure of CYP121 cocrystallized with substrate cYY | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, Mycocyclosin synthase, PROTOPORPHYRIN IX CONTAINING FE, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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8TDP
 | | Time-resolved SFX-XFEL crystal structure of CYP121 bound with cYY reacted with peracetic acid for 200 milliseconds | | Descriptor: | (3S,6S)-3,6-bis(4-hydroxybenzyl)piperazine-2,5-dione, HYDROGEN PEROXIDE, Mycocyclosin synthase, ... | | Authors: | Nguyen, R.C, Dasgupta, M, Bhowmick, A, Kern, J.F, Liu, A. | | Deposit date: | 2023-07-04 | | Release date: | 2023-11-22 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | In Situ Structural Observation of a Substrate- and Peroxide-Bound High-Spin Ferric-Hydroperoxo Intermediate in the P450 Enzyme CYP121.
J.Am.Chem.Soc., 145, 2023
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8TLM
 | | Structure of a class A GPCR/Fab complex | | Descriptor: | C-C chemokine receptor type 8, Green fluorescent protein fusion, Fab heavy chain, ... | | Authors: | Sun, D, Johnson, M, Masureel, M. | | Deposit date: | 2023-07-27 | | Release date: | 2023-12-20 | | Last modified: | 2024-11-20 | | Method: | ELECTRON MICROSCOPY (2.9 Å) | | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
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8TR3
 | | Cryo-EM structure of HmAb64 scFv in complex with CNE40 SOSIP trimer | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CNE40 SOSIP Envelope glycoprotein gp120, ... | | Authors: | Chan, K.-W, Kong, X.P. | | Deposit date: | 2023-08-09 | | Release date: | 2024-06-19 | | Last modified: | 2024-11-06 | | Method: | ELECTRON MICROSCOPY (3.74 Å) | | Cite: | Human CD4-binding site antibody elicited by polyvalent DNA prime-protein boost vaccine neutralizes cross-clade tier-2-HIV strains.
Nat Commun, 15, 2024
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8U1U
 | | Structure of a class A GPCR/agonist complex | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, C-C motif chemokine 1,C-C chemokine receptor type 8,EGFP fusion protein, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ... | | Authors: | Sun, D, Johnson, M, Masureel, M. | | Deposit date: | 2023-09-02 | | Release date: | 2023-12-20 | | Last modified: | 2024-10-23 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Structural basis of antibody inhibition and chemokine activation of the human CC chemokine receptor 8.
Nat Commun, 14, 2023
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9C7X
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