8DAF
 
 | | Human SF-1 LBD bound to synthetic agonist 6N-10CA and bacterial phospholipid | | Descriptor: | 10-[(3aR,6S,6aR)-3-phenyl-3a-(1-phenylethenyl)-6-(sulfamoylamino)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid (non-preferred name), DI-PALMITOYL-3-SN-PHOSPHATIDYLETHANOLAMINE, Nuclear receptor coactivator 2, ... | | Authors: | D'Agostino, E.H, Cato, M.L, Ortlund, E.A. | | Deposit date: | 2022-06-13 | | Release date: | 2023-06-28 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | Comparison of activity, structure, and dynamics of SF-1 and LRH-1 complexed with small molecule modulators.
J.Biol.Chem., 299, 2023
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6YLD
 | | Crystal structure of Trichoplax adhaerens trBcl-2L2 bound to trBak BH3 | | Descriptor: | 1,2-ETHANEDIOL, Bcl-2 homologous antagonist/killer, Bcl-2-like protein 1, ... | | Authors: | D Sa, J, Banjara, S, Kvansakul, M. | | Deposit date: | 2020-04-07 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | Ancient and conserved functional interplay between Bcl-2 family proteins in the mitochondrial pathway of apoptosis.
Sci Adv, 6, 2020
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7P1A
 | | Carbonic Anhydrase VII Sultam Based Inhibitors | | Descriptor: | 4-[2-[4-[(4-methylphenyl)methyl]-1,1-bis(oxidanylidene)-1,2,4-thiadiazinan-2-yl]ethyl]benzenesulfonamide, Carbonic anhydrase 7, GLYCEROL, ... | | Authors: | D'Ambrosio, K, De Simone, G. | | Deposit date: | 2021-07-01 | | Release date: | 2021-11-17 | | Method: | X-RAY DIFFRACTION (1.58 Å) | | Cite: | Sultam based Carbonic Anhydrase VII inhibitors for the management of neuropathic pain.
Eur.J.Med.Chem., 227, 2021
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6YLI
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7JYD
 | | Human Liver Receptor Homolog-1 in Complex with 10CA and a Fragment of Tif2 | | Descriptor: | 10-[(3aR,6R,6aR)-6-hydroxy-3-phenyl-3a-(1-phenylethenyl)-1,3a,4,5,6,6a-hexahydropentalen-2-yl]decanoic acid, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | | Deposit date: | 2020-08-30 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
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7JYE
 | | Human Liver Receptor Homolog-1 in Complex with 9ChoP and a Fragment of Tif2 | | Descriptor: | 9-[(3~{a}~{R},6~{R},6~{a}~{R})-6-oxidanyl-3-phenyl-3~{a}-(1-phenylethenyl)-4,5,6,6~{a}-tetrahydro-1~{H}-pentalen-2-yl]nonyl 2-(trimethyl-$l^{4}-azanyl)ethyl hydrogen phosphate, Nuclear receptor coactivator 2, Nuclear receptor subfamily 5 group A member 2 | | Authors: | D'Agostino, E.H, Mays, S.G, Ortlund, E.A. | | Deposit date: | 2020-08-30 | | Release date: | 2022-03-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.551 Å) | | Cite: | Tapping into a phospholipid-LRH-1 axis yields a powerful anti-inflammatory agent with in vivo activity against colitis
To Be Published
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8F67
 | | Crystal structure of the refolded Penicillin Binding Protein 5 (PBP5) of Enterococcus faecium | | Descriptor: | Pbp5, SULFATE ION | | Authors: | D'Andrea, E.D, Schoenle, M.V, Choy, M.S, Peti, W, Page, R. | | Deposit date: | 2022-11-16 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3I
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) S466 insertion variant penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3F
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Hunashal, Y, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.84 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3G
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M variant in the penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.59 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3O
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) R464A variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Peti, W, Page, R. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3H
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) S466 insertion variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3M
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant with S466 insertion apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.81 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3N
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant with S466 insertion penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.99 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3P
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) R464A variant penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.09 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3U
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I V629E variant penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3R
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (3.3 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3S
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I variant penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.5 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3T
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485M T499I V629E variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SODIUM ION, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3J
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.59 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3Q
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) Y460A variant apo form from Enterococcus faecium | | Descriptor: | Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Schoenle, M.V, Choy, M.S, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2023-10-25 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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8F3L
 | | Crystal structure of Penicillin Binding Protein 5 (PBP5) T485A variant penicillin bound form from Enterococcus faecium | | Descriptor: | OPEN FORM - PENICILLIN G, Penicillin binding protein 5, SULFATE ION | | Authors: | D'Andrea, E.D, Choy, M.S, Schoenle, M.V, Page, R, Peti, W. | | Deposit date: | 2022-11-10 | | Release date: | 2023-07-05 | | Last modified: | 2024-03-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | The Molecular Basis for Resistance of E. faecium PBP5 to beta-lactam Antibiotics
Nat Commun, 2023
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7RLK
 | | Wallaby TTR | | Descriptor: | Transthyretin, ZINC ION | | Authors: | D-Souza, D.G, Richardson, S.J. | | Deposit date: | 2021-07-25 | | Release date: | 2022-08-03 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | Structural and amyloidogenic comparisons of human and wallaby transthyretins: implications for amyloidosis?
To Be Published
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8F43
 | | HNH Nuclease Domain from G. stearothermophilus Cas9, K597A mutant | | Descriptor: | CRISPR-associated endonuclease Cas9 | | Authors: | D'Ordine, A.M, Belato, H.B, Lisi, G.P, Jogl, G. | | Deposit date: | 2022-11-10 | | Release date: | 2022-12-21 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.37 Å) | | Cite: | Disruption of electrostatic contacts in the HNH nuclease from a thermophilic Cas9 rewires allosteric motions and enhances high-temperature DNA cleavage.
J.Chem.Phys., 157, 2022
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8CK1
 | | Carin 1 bacteriophage tail, connector and tail fibers assembly | | Descriptor: | Connector Protein, Tail Nozzle, Tail fibers Dpo36 | | Authors: | d'Acapito, A, Neumann, E, Schoehn, G. | | Deposit date: | 2023-02-14 | | Release date: | 2023-03-15 | | Last modified: | 2023-05-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structural Study of the Cobetia marina Bacteriophage 1 (Carin-1) by Cryo-EM.
J.Virol., 97, 2023
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