7OBN
 
 | | Structural investigations of a new L3 DNA ligase: structure-function analysis | | Descriptor: | ADENOSINE MONOPHOSPHATE, DNA (5'-D(*TP*TP*CP*CP*GP*AP*TP*AP*GP*TP*GP*GP*GP*GP*TP*CP*GP*CP*AP*AP*T)-3'), DNA ligase, ... | | Authors: | Leiros, H.-K.S, Williamson, A. | | Deposit date: | 2021-04-23 | | Release date: | 2022-02-09 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.45 Å) | | Cite: | Bacteriophage origin of some minimal ATP-dependent DNA ligases: a new structure from Burkholderia pseudomallei with striking similarity to Chlorella virus ligase.
Sci Rep, 11, 2021
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7NT4
 | | X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor | | Descriptor: | 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ... | | Authors: | Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M. | | Deposit date: | 2021-03-09 | | Release date: | 2022-02-02 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.68 Å) | | Cite: | Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses.
Cell Chem Biol, 29, 2022
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6YRS
 | | Structure of a new variant of GNCA ancestral beta-lactamase | | Descriptor: | 1,2-ETHANEDIOL, ACETATE ION, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Gavira, J.A, Risso, V, Martinez-Rodriguez, S, Sanchez-Ruiz, J.M, Modi, T, Ozkan, S.B. | | Deposit date: | 2020-04-20 | | Release date: | 2021-03-03 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (1.7 Å) | | Cite: | Hinge-shift mechanism as a protein design principle for the evolution of beta-lactamases from substrate promiscuity to specificity.
Nat Commun, 12, 2021
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6Y0U
 | | Fucosylated Bicyclic peptide bp71 bound to the fucose binding lectin LecB PA-IIL from Pseudomonas aeruginosa at 1.5 Angstrom resolution | | Descriptor: | 3,7-anhydro-2,8-dideoxy-L-glycero-D-gluco-octonic acid, CALCIUM ION, Fucose-binding lectin, ... | | Authors: | Baeriswyl, S, Stocker, A, Reymond, J.-L. | | Deposit date: | 2020-02-10 | | Release date: | 2021-02-24 | | Last modified: | 2024-02-07 | | Method: | X-RAY DIFFRACTION (1.489 Å) | | Cite: | A mixed chirality alpha-helix in a stapled bicyclic and a linear antimicrobial peptide revealed by X-ray crystallography.
Rsc Chem Biol, 2, 2021
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7OGQ
 | | Plant peptide hormone receptor H1I2S1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Roman, A.O, Jimenez-Sandoval, P, Santiago, J. | | Deposit date: | 2021-05-07 | | Release date: | 2022-02-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | HSL1 and BAM1/2 impact epidermal cell development by sensing distinct signaling peptides.
Nat Commun, 13, 2022
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6YNU
 | | CaM-P458 complex (crystal form 1) | | Descriptor: | Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1 | | Authors: | Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A. | | Deposit date: | 2020-04-14 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.12 Å) | | Cite: | A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
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6YNS
 | | CaM-P458 complex (crystal form 2) | | Descriptor: | Bifunctional adenylate cyclase toxin/hemolysin CyaA, CALCIUM ION, Calmodulin-1 | | Authors: | Mechaly, A.E, Voegele, A, Haouz, A, Chenal, A. | | Deposit date: | 2020-04-14 | | Release date: | 2021-03-17 | | Last modified: | 2024-01-24 | | Method: | X-RAY DIFFRACTION (3.94 Å) | | Cite: | A High-Affinity Calmodulin-Binding Site in the CyaA Toxin Translocation Domain is Essential for Invasion of Eukaryotic Cells.
Adv Sci, 8, 2021
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7OFK
 | | Ligand complex of RORg LBD | | Descriptor: | (1~{R})-2-ethanoyl-~{N}-[4-[1,1,1,3,3,3-hexakis(fluoranyl)-2-oxidanyl-propan-2-yl]phenyl]-5-methylsulfonyl-1,3-dihydroisoindole-1-carboxamide, DIMETHYL SULFOXIDE, Nuclear receptor ROR-gamma, ... | | Authors: | Xue, Y, Aagaard, A, Narjes, F. | | Deposit date: | 2021-05-05 | | Release date: | 2022-03-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.61 Å) | | Cite: | AZD0284, a Potent, Selective, and Orally Bioavailable Inverse Agonist of Retinoic Acid Receptor-Related Orphan Receptor C2.
J.Med.Chem., 64, 2021
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8FIQ
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8FVT
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8FIH
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8FIT
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8FIN
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7QXJ
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8FWH
 | | Crystal structure of bivalent antibody Fab fragment of Anti-human LAG3 (22D2) | | Descriptor: | 1,2-ETHANEDIOL, Anti-human LAG3 (22D2) heavy chain, Anti-human LAG3 (22D2) light chain | | Authors: | Mishra, A.K, Agnihotri, P, Mariuzza, R.A. | | Deposit date: | 2023-01-22 | | Release date: | 2023-09-06 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.833 Å) | | Cite: | CryoEM structure of a therapeutic antibody (favezelimab) bound to human LAG3 determined using a bivalent Fab as fiducial marker.
Structure, 31, 2023
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8FEC
 | | Structure of J-PKAc chimera complexed with Aplithianine derivative | | Descriptor: | 6-[(6P)-6-(4-bromo-1-methyl-1H-imidazol-5-yl)-2,3-dihydro-4H-1,4-thiazin-4-yl]-7H-purine, DnaJ homolog subfamily B member 1,cAMP-dependent protein kinase catalytic subunit alpha, cAMP-dependent protein kinase inhibitor alpha | | Authors: | Du, L, Wilson, B.A.P, Li, N, Martinez Fiesco, J.A, Dalilian, M, Wang, D, Smith, E.A, Wamiru, A, Goncharova, E.I, Zhang, P, O'Keefe, B.R. | | Deposit date: | 2022-12-06 | | Release date: | 2023-10-18 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Discovery and Synthesis of a Naturally Derived Protein Kinase Inhibitor that Selectively Inhibits Distinct Classes of Serine/Threonine Kinases.
J.Nat.Prod., 86, 2023
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7QX9
 | | BAZ2A bromodomain in complex with acetylpyrrole derivative compound 65 | | Descriptor: | 3-[[4-(4-ethanoyl-3,5-dimethyl-1~{H}-pyrrol-2-yl)-1,3-thiazol-2-yl]methyl]imidazolidine-2,4-dione, Bromodomain adjacent to zinc finger domain protein 2A | | Authors: | Dalle Vedove, A, Cazzanelli, G, Caflisch, A, Lolli, G. | | Deposit date: | 2022-01-26 | | Release date: | 2022-09-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Identification of a BAZ2A-Bromodomain Hit Compound by Fragment Growing.
Acs Med.Chem.Lett., 13, 2022
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7Q7A
 | | Room temperature structure of RNase A at 120 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.56 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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7OD5
 | | F(M197)H mutant structure of Photosynthetic Reaction Center From Rhodobacter Sphaeroides strain RV LSP crystallization | | Descriptor: | (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (2R)-2-hydroxy-3-(phosphonooxy)propyl (9E)-octadec-9-enoate, 1,2-ETHANEDIOL, ... | | Authors: | Gabdulkhakov, A.G, Selikhanov, G.K, Fufina, T.Y, Vasilieva, L.G. | | Deposit date: | 2021-04-28 | | Release date: | 2022-04-27 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | X-ray structure of the Rhodobacter sphaeroides reaction center with an M197 Phe→His substitution clarifies the properties of the mutant complex.
Iucrj, 9, 2022
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7NQF
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7Q77
 | | Room temperature structure of RNase A at 50 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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7Q79
 | | Room temperature structure of RNase A at 100 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.55 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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7Q75
 | | Room temperature structure of RNase A at atmospheric pressure | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.64 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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7Q78
 | | Room temperature structure of RNase A at 72 MPa helium gas pressure in a sapphire capillary | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.52 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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7Q7B
 | | Room temperature structure of RNase A at atmospheric pressure in a sapphire capillary after high helium gas pressure release | | Descriptor: | CHLORIDE ION, Ribonuclease pancreatic, SODIUM ION, ... | | Authors: | Lieske, J, Guenther, S, Saouane, S, Meents, A. | | Deposit date: | 2021-11-09 | | Release date: | 2022-11-16 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Fixed-target high-pressure macromolecular crystallography
To Be Published
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