PDB: 82686 resultsInfo pagesStatus searchChemie searchBIRD

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7YYE	Orthorombic crystal structure of YTHDF1 YTH domain (G459N mutant) form I Descriptor: 1,2-ETHANEDIOL, MALONIC ACID, YTH domain-containing family protein 1 Authors: Dalle Vedove, A, Cazzanelli, G, Lolli, G. Deposit date: 2022-02-17 Release date: 2023-03-01 Last modified: 2024-03-13 Method: X-RAY DIFFRACTION (2 Å) Cite: Pliability in the m 6 A-Binding Region Extends Druggability of YTH Domains. J.Chem.Inf.Model., 2024
7YYC	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 16 Descriptor: 2-indol-1-ylethanoic acid, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.499 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YYB	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 15 Descriptor: 4-hydroxy-6-methyl-2H-1-benzopyran-2-one, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.751 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YYA	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 14 Descriptor: 3-indol-1-ylpropanoic acid, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.807 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY9	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 13 Descriptor: 2-azanyl-4-chloranyl-benzenecarbonitrile, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.485 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY8	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 12 Descriptor: (2R)-2-hydroxy-3-(1H-indol-3-yl)propanoic acid, 3-(INDOL-3-YL) LACTATE, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.516 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY7	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 11 Descriptor: 3-hydroxynaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase, SULFATE ION Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.538 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY6	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 10 Descriptor: 6-methylpyridine-2,3-dicarboxylic acid, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.506 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY5	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 9 Descriptor: 2-naphthalen-2-ylethanoic acid, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.499 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY4	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 8 Descriptor: 6-fluoranylnaphthalene-2-carboxylic acid, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.671 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY3	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Fragment 7 Descriptor: 5-fluoroindole-2-carboxylic acid, MAGNESIUM ION, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.535 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY2	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Compound 20 Descriptor: 5-[3-(1~{H}-indol-3-yl)propoxy]-1-phenyl-pyrazole-4-carboxylic acid, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.598 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY1	Mycobacterium abscessus Phosphopantetheine adenylyltransferase ternary complex with 4'-phosphopantetheine & non-hydrolyzable ATP analogue (AMPCPP) Descriptor: 4'-PHOSPHOPANTETHEINE, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.697 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YY0	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with 4'-phosphopantetheine Descriptor: 4'-PHOSPHOPANTETHEINE, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-06-29 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.745 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YXZ	Crystal structure of Mycobacterium abscessus Phosphopantetheine adenylyltransferase in complex with Coenzyme A Descriptor: COENZYME A, Phosphopantetheine adenylyltransferase Authors: Thomas, S.E, Coyne, A.G, Blundell, T.L. Deposit date: 2022-02-17 Release date: 2022-07-06 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.779 Å) Cite: Structural Characterization of Mycobacterium abscessus Phosphopantetheine Adenylyl Transferase Ligand Interactions: Implications for Fragment-Based Drug Design. Front Mol Biosci, 9, 2022
7YXV	Crystal structure of a tautomerase superfamily member form Acinetobacter baumanii Descriptor: Anthranilate synthase, CHLORIDE ION, NITRATE ION Authors: Pankov, G, Hunter, W.N. Deposit date: 2022-02-16 Release date: 2022-05-18 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (1.7 Å) Cite: The structure of a tautomerase superfamily member linked to the type VI secretion system of Acinetobacter baumannii. Acta Crystallogr.,Sect.F, 79, 2023
7YXU	Crystal structure of agonistic antibody 1618 fab domain bound to human 4-1BB. Descriptor: MANGANESE (II) ION, Tumor necrosis factor receptor superfamily member 9, heavy chain of Fab, ... Authors: Hakansson, M, Rose, N, Petersson, J, Enell Smith, K, Thorolfsson, M, von Schantz, L. Deposit date: 2022-02-16 Release date: 2023-01-25 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.31 Å) Cite: The Bispecific Tumor Antigen-Conditional 4-1BB x 5T4 Agonist, ALG.APV-527, Mediates Strong T-Cell Activation and Potent Antitumor Activity in Preclinical Studies. Mol.Cancer Ther., 22, 2023
7YXT	Crystal structure of human Indoleamine-2,3-dioxygenase 1 (hIDO1) with different conformations for G261-G265 fragment Descriptor: GLYCEROL, Indoleamine 2,3-dioxygenase 1, OXYGEN MOLECULE, ... Authors: Mirgaux, M, Wouters, J. Deposit date: 2022-02-16 Release date: 2023-03-01 Last modified: 2024-02-07 Method: X-RAY DIFFRACTION (2.48 Å) Cite: Crystal structure of human Indoleamine-2,3-dioxygenase 1 (hIDO1) with different conformations for G261-G265 fragment To Be Published
7YXR	Crystal structure of mutant AncGR2-LBD (Y545A) bound to dexamethasone and SHP coregulator fragment Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... Authors: Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. Deposit date: 2022-02-16 Release date: 2022-12-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.5 Å) Cite: The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
7YXP	Crystal structure of WT AncGR2-LBD WT bound to dexamethasone and SHP coregulator fragment Descriptor: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ... Authors: Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. Deposit date: 2022-02-16 Release date: 2022-12-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (3.36 Å) Cite: The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
7YXO	Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Descriptor: 3-[(3-CHOLAMIDOPROPYL)DIMETHYLAMMONIO]-1-PROPANESULFONATE, Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, ... Authors: Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. Deposit date: 2022-02-16 Release date: 2022-12-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.99 Å) Cite: The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
7YXN	Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, FORMIC ACID, ... Authors: Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. Deposit date: 2022-02-16 Release date: 2022-12-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.46 Å) Cite: The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022
7YXK	Drosophila melanogaster JMJD7 (dmJMJD7) in complex with Mn and N-oxalyl-D-alanine (NODA) Descriptor: (2~{R})-2-(carboxycarbonylamino)propanoic acid, 1,2-ETHANEDIOL, ACETATE ION, ... Authors: Chowdhury, R, Schofield, C.J. Deposit date: 2022-02-16 Release date: 2022-04-27 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.43 Å) Cite: Conservation of the unusual dimeric JmjC fold of JMJD7 from Drosophila melanogaster to humans. Sci Rep, 12, 2022
7YXE	Crystal structure of YTHDF2 with compound ZA_143 Descriptor: GLYCEROL, SODIUM ION, SULFATE ION, ... Authors: Nai, F, Zalesak, F, Li, Y, Caflisch, A. Deposit date: 2022-02-15 Release date: 2022-03-02 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (1.85 Å) Cite: Fragment Ligands of the m 6 A-RNA Reader YTHDF2. Acs Med.Chem.Lett., 13, 2022
7YXD	Crystal structure of WT AncGR2-LBD bound to dexamethasone and SHP coregulator fragment Descriptor: Ancestral Glucocorticoid Receptor2, DEXAMETHASONE, SHP NR Box 1 Peptide, ... Authors: Jimenez-Panizo, A, Estebanez-Perpina, E, Fuentes-Prior, P. Deposit date: 2022-02-15 Release date: 2022-12-07 Last modified: 2024-01-31 Method: X-RAY DIFFRACTION (2.3 Å) Cite: The multivalency of the glucocorticoid receptor ligand-binding domain explains its manifold physiological activities. Nucleic Acids Res., 50, 2022

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