8COI
 
 | | Human adenovirus-derived synthetic ADDobody binder | | Descriptor: | ADDobody | | Authors: | Buzas, D, Toelzer, C, Gupta, K, Berger-Schaffitzel, C, Berger, I. | | Deposit date: | 2023-02-28 | | Release date: | 2023-12-27 | | Last modified: | 2024-03-20 | | Method: | X-RAY DIFFRACTION (3.17 Å) | | Cite: | Engineering the ADDobody protein scaffold for generation of high-avidity ADDomer super-binders.
Structure, 32, 2024
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5O7J
 | | Structural insights into the periplasmic sensor domain of the GacS histidine kinase controlling biofilm formation in Pseudomonas aeruginosa | | Descriptor: | Histidine kinase | | Authors: | Ali-Ahmad, A, Bornet, O, Fadel, F, Bourne, Y, Vincent, F, Guerlesquin, F, Sebban-Kreuzer, C. | | Deposit date: | 2017-06-09 | | Release date: | 2018-02-07 | | Last modified: | 2024-06-19 | | Method: | SOLUTION NMR | | Cite: | Structural and functional insights into the periplasmic detector domain of the GacS histidine kinase controlling biofilm formation in Pseudomonas aeruginosa.
Sci Rep, 7, 2017
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7NWU
 | | Co-crystal structure of UPF3B-RRM-NOPS-L with UPF2-MIF4GIII | | Descriptor: | PENTAETHYLENE GLYCOL, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3B, ... | | Authors: | Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C. | | Deposit date: | 2021-03-17 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
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5LIR
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1W0V
 | | Crystal Structure Of HLA-B*2705 Complexed With the self-Peptide TIS from EGF-response factor 1 | | Descriptor: | BETA-2-MICROGLOBULIN, BUTYRATE RESPONSE FACTOR 2, GLYCEROL, ... | | Authors: | Hulsmeyer, M, Fiorillo, M.T, Bettosini, F, Sorrentino, R, Saenger, W, Ziegler, A, Uchanska-Ziegler, B. | | Deposit date: | 2004-06-14 | | Release date: | 2005-03-07 | | Last modified: | 2023-12-13 | | Method: | X-RAY DIFFRACTION (2.27 Å) | | Cite: | Thermodynamic and Structural Equivalence of Two Hla-B27 Subtypes Complexed with a Self-Peptide
J.Mol.Biol., 346, 2005
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6X3L
 | | Sortilin-Progranulin Interaction With Compound 2 | | Descriptor: | 1-benzyl-3-tert-butyl-1H-pyrazole-5-carboxylic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, GLYCEROL, ... | | Authors: | Parthasarathy, G, Soisson, S.M. | | Deposit date: | 2020-05-21 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
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6X48
 | | Sortilin-Progranulin Interaction With Compound 17 | | Descriptor: | GLYCEROL, N-(3,5-dichlorobenzene-1-carbonyl)-5,5-dimethyl-L-norleucine, Sortilin, ... | | Authors: | Parthasarathy, G, Soisson, S.M. | | Deposit date: | 2020-05-22 | | Release date: | 2020-08-12 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
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6X4H
 | | Sortilin-Progranulin Interaction With Compound 24 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine, GLYCEROL, ... | | Authors: | Parthasarathy, G, Soisson, S.M, Klein, D. | | Deposit date: | 2020-05-22 | | Release date: | 2020-08-12 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Identification of potent inhibitors of the sortilin-progranulin interaction.
Bioorg.Med.Chem.Lett., 30, 2020
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5HJS
 | | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, Nuclear receptor coactivator 1, Oxysterols receptor LXR-alpha, ... | | Authors: | Parthasarathy, G, Klein, D. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (1.72 Å) | | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
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5HJP
 | | Identification of LXRbeta selective agonists for the treatment of Alzheimer's Disease | | Descriptor: | 2-chloro-4-{1'-[(2R)-2-hydroxy-3-methyl-2-(trifluoromethyl)butanoyl]-4,4'-bipiperidin-1-yl}-N,N-dimethylbenzamide, DI(HYDROXYETHYL)ETHER, Oxysterols receptor LXR-beta, ... | | Authors: | Parthasarathy, G, Klein, D. | | Deposit date: | 2016-01-13 | | Release date: | 2016-04-06 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Identification and in Vivo Evaluation of Liver X Receptor beta-Selective Agonists for the Potential Treatment of Alzheimer's Disease.
J.Med.Chem., 59, 2016
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7Z3C
 | | Solution structure of GltJ GYF domain from Myxococcus xanthus | | Descriptor: | Adventurous gliding motility protein X | | Authors: | Attia, B, My, L, Castaing, J.P, Le Guenno, H, Espinosa, L, Schmidt, V, Nouailler, M, Bornet, O, Elantak, L, Mignot, T. | | Deposit date: | 2022-03-02 | | Release date: | 2023-02-22 | | Last modified: | 2024-09-04 | | Method: | SOLUTION NMR | | Cite: | A molecular switch controls assembly of bacterial focal adhesions.
Sci Adv, 10, 2024
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7ZOK
 | | Solution structure of GltJ ZnR domain from Myxococcus xanthus | | Descriptor: | Adventurous gliding motility protein X, ZINC ION | | Authors: | Attia, B, My, L, Castaing, J.P, Le Guenno, H, Espinosa, L, Schmidt, V, Nouailler, M, Bornet, O, Mignot, T, Elantak, L. | | Deposit date: | 2022-04-25 | | Release date: | 2023-02-22 | | Last modified: | 2024-09-04 | | Method: | SOLUTION NMR | | Cite: | A molecular switch controls assembly of bacterial focal adhesions.
Sci Adv, 10, 2024
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7OCV
 | | Human TNKS1 in complex with 3-[4-(1-Hydroxy-1-methyl-ethyl)-phenyl]-6-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one | | Descriptor: | 6-methyl-3-[4-(2-oxidanylpropan-2-yl)phenyl]-4~{H}-pyrrolo[1,2-a]pyrazin-1-one, ACETATE ION, Poly [ADP-ribose] polymerase, ... | | Authors: | Musil, D, Lehmann, M, Buchstaller, H.-P. | | Deposit date: | 2021-04-28 | | Release date: | 2021-07-28 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.432 Å) | | Cite: | Optimization of a Screening Hit toward M2912, an Oral Tankyrase Inhibitor with Antitumor Activity in Colorectal Cancer Models.
J.Med.Chem., 64, 2021
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7QG6
 | | Co-crystal structure of UPF3A-RRM-NOPS-L with UPF2-MIF4GIII | | Descriptor: | CHLORIDE ION, Regulator of nonsense transcripts 2, Regulator of nonsense transcripts 3A, ... | | Authors: | Powers, K.T, Bufton, J.C, Szeto, J.A, Schaffitzel, C. | | Deposit date: | 2021-12-07 | | Release date: | 2022-07-20 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Structures of nonsense-mediated mRNA decay factors UPF3B and UPF3A in complex with UPF2 reveal molecular basis for competitive binding and for neurodevelopmental disorder-causing mutation.
Nucleic Acids Res., 50, 2022
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6QXU
 | | Human TNKS1 in complex with 6,8-Difluoro-2-[4-(1-hydroxy-1-methyl-ethyl)-phenyl]-3H-quinazolin-4-one | | Descriptor: | 6,8-bis(fluoranyl)-2-[4-(2-oxidanylpropan-2-yl)phenyl]-3~{H}-quinazolin-4-one, BETA-MERCAPTOETHANOL, Poly [ADP-ribose] polymerase tankyrase-1, ... | | Authors: | Musil, D, Lehmann, D, Buchstaller, H.-P. | | Deposit date: | 2019-03-08 | | Release date: | 2019-08-14 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.2 Å) | | Cite: | Discovery and Optimization of 2-Arylquinazolin-4-ones into a Potent and Selective Tankyrase Inhibitor Modulating Wnt Pathway Activity.
J.Med.Chem., 62, 2019
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7TR2
 | | Apo CaKip3[2-436]-L2-mutant(HsKHC) in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein,Kinesin-1 heavy chain, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J.S, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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7TR3
 | | CaKip3[2-482] - AMP-PNP in complex with a dolastatin-10-stabilized tubulin ring | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J.S, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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7TQX
 | | CaKip3[2-482] - AMP-PNP in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.8 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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7TQY
 | | CaKip3[2-482] - ADP-AlFx in complex with a microtubule | | Descriptor: | ADENOSINE-5'-DIPHOSPHATE, ALUMINUM FLUORIDE, GUANOSINE-5'-DIPHOSPHATE, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.6 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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7TR0
 | | CaKip3[2-436] - AMP-PNP in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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7TR1
 | | CaKip3[2-436]-L2-mutant(HsKHC) - AMP-PNP in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein,Kinesin-1 heavy chain, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J.S, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-20 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (3.1 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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7TQZ
 | | Apo CaKip3[2-482] in complex with a microtubule | | Descriptor: | GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, Kinesin-like protein, ... | | Authors: | Benoit, M.P.M.H, Asenjo, A.B, Hunter, B, Allingham, J.S, Sosa, H. | | Deposit date: | 2022-01-27 | | Release date: | 2022-07-13 | | Last modified: | 2024-02-21 | | Method: | ELECTRON MICROSCOPY (2.7 Å) | | Cite: | Kinesin-8-specific loop-2 controls the dual activities of the motor domain according to tubulin protofilament shape.
Nat Commun, 13, 2022
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5MBW
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH Pep#3 | | Descriptor: | BACE1 INHIBITOR PEPTIDE Pep#3, Beta-secretase 1, CHLORIDE ION | | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | | Deposit date: | 2016-11-09 | | Release date: | 2017-09-27 | | Last modified: | 2017-11-01 | | Method: | X-RAY DIFFRACTION (2.95 Å) | | Cite: | Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
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5MCO
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE | | Descriptor: | BACE-1 EXOSITE PEPTIDE, Beta-secretase 1, N-{(1S,2R)-1-benzyl-2-hydroxy-3-[(3-methoxybenzyl)amino]propyl}-5-[methyl(methylsulfonyl)amino]-N'-[(1R)-1-phenylethyl]benzene-1,3-dicarboxamide | | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | | Deposit date: | 2016-11-10 | | Release date: | 2017-09-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (2.49 Å) | | Cite: | Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
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5MCQ
 | | CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE AND EXOSITE BINDING PEPTIDE INHIBITOR | | Descriptor: | 1,2-ETHANEDIOL, BACE-1 ACTIVE AND EXOSITE BINDING INHIBITOR, Beta-secretase 1 | | Authors: | Kuglstatter, A, Stihle, M, Benz, J. | | Deposit date: | 2016-11-10 | | Release date: | 2017-09-27 | | Last modified: | 2024-05-01 | | Method: | X-RAY DIFFRACTION (1.82 Å) | | Cite: | Potent and Selective BACE-1 Peptide Inhibitors Lower Brain A beta Levels Mediated by Brain Shuttle Transport.
EBioMedicine, 24, 2017
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