9FI9
 
 | | Human PIF + Z48847594 (OCCUPANCY 0.7) | | Descriptor: | ATP-dependent DNA helicase PIF1, MAGNESIUM ION, N-[4-(2-amino-1,3-thiazol-4-yl)phenyl]acetamide, ... | | Authors: | Bax, B.D, Sanders, C.M, Antson, A.A, Brandao-Neto, J. | | Deposit date: | 2024-05-28 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.727 Å) | | Cite: | Structure-based discovery of first inhibitors targeting the helicase activity of human PIF1
Nucleic Acids Research, 2024
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9FKX
 | | Crystal structure of IL-17A in complex with compound 18 | | Descriptor: | (4~{S})-1-[(~{R})-[2-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[[5-[1,1-bis(fluoranyl)ethyl]-1,3,4-oxadiazol-2-yl]amino]methyl]imidazo[1,2-b]pyridazin-7-yl]-cyclopropyl-methyl]-4-(trifluoromethyl)imidazolidin-2-one, Interleukin-17A | | Authors: | Rondeau, J.M, Lehmann, S, Scheufler, C. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.048 Å) | | Cite: | Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.
J.Med.Chem., 2024
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9FKY
 | | Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors | | Descriptor: | Bcl-2-related protein A1, ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(1~{S})-1-[3-cyano-4-(trifluoromethyl)phenyl]ethyl]propanamide | | Authors: | Hargreaves, D. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.557 Å) | | Cite: | Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
J.Med.Chem., 2024
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9FKZ
 | | Discovery of a Series of Covalent, Cell Active Bfl-1 Inhibitors | | Descriptor: | Bcl-2-related protein A1, ~{N}-[4-[(1~{R},3~{R})-3-azanylcyclopentyl]oxyphenyl]-~{N}-[(4-chlorophenyl)methyl]prop-2-enamide | | Authors: | Hargreaves, D. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.684 Å) | | Cite: | Structure-Based Optimization of a Series of Covalent, Cell Active Bfl-1 Inhibitors.
J.Med.Chem., 2024
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9FL0
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9FL3
 | | Crystal structure of IL-17A in complex with compound 26 | | Descriptor: | (~{E})-~{N}-[(~{S})-[4,4-bis(fluoranyl)cyclohexyl]-[7-[(1~{S})-2-methoxy-1-[(4~{S})-2-oxidanylidene-4-(trifluoromethyl)imidazolidin-1-yl]ethyl]imidazo[1,2-b]pyridazin-2-yl]methyl]-3-cyclopropyl-2-fluoranyl-prop-2-enamide, Interleukin-17A | | Authors: | Rondeau, J.M, Lehmann, S, Scheufler, C. | | Deposit date: | 2024-06-04 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.068 Å) | | Cite: | Discovery and In Vivo Exploration of 1,3,4-Oxadiazole and alpha-Fluoroacrylate Containing IL-17 Inhibitors.
J.Med.Chem., 2024
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9FMN
 | | Structure of Human PADI6 | | Descriptor: | Protein-arginine deiminase type-6 | | Authors: | Mouilleron, S, Walport, L, Williams, J, Marsh, A.J, Hernandez Trapero, R. | | Deposit date: | 2024-06-06 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.44 Å) | | Cite: | Structural insight into the function of human peptidyl arginine deiminase 6.
Comput Struct Biotechnol J, 23, 2024
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9FO2
 | | Coxsackievirus A9 bound with compound 15 (CL278) | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | Deposit date: | 2024-06-11 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.58 Å) | | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9FO5
 | | Coxsackievirus A9 bound with compound 19 (CL313) | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | Deposit date: | 2024-06-11 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.69 Å) | | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9FP5
 | | Coxsackievirus A9 bound with CL213. | | Descriptor: | Capsid protein VP1, Capsid protein VP2, Capsid protein VP3, ... | | Authors: | Plavec, Z, Butcher, S.J, Mitchell, C, Buckner, C. | | Deposit date: | 2024-06-13 | | Release date: | 2024-10-02 | | Method: | ELECTRON MICROSCOPY (2.5 Å) | | Cite: | SAR Analysis of Novel Coxsackie virus A9 Capsid Binders.
J.Med.Chem., 2024
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9G3X
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9G3Y
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9G3Z
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9G40
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9G5K
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9G9Q
 | | Crystal structure of PbdA bound to p-methoxybenzoate. | | Descriptor: | 4-METHOXYBENZOIC ACID, Cytochrome P450 CYP199, GLYCEROL, ... | | Authors: | Hinchen, D.J, Wolf, M.E, Eltis, L.D, McGeehan, J.E. | | Deposit date: | 2024-07-25 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Characterization of a cytochrome P450 that catalyzes the O-demethylation of lignin-derived benzoates.
J.Biol.Chem., 2024
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9G9R
 | | Crystal structure of PbdA bound to p-ethylbenzoate | | Descriptor: | 4-ethylbenzoic acid, Cytochrome P450 CYP199, GLYCEROL, ... | | Authors: | Hinchen, D.J, Wolf, M.E, Eltis, L.D, McGeehan, J.E. | | Deposit date: | 2024-07-25 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.65 Å) | | Cite: | Characterization of a cytochrome P450 that catalyzes the O-demethylation of lignin-derived benzoates.
J.Biol.Chem., 2024
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9G9S
 | | Crystal structure of PbdA bound to veratrate | | Descriptor: | 3,4-dimethoxybenzoic acid, Cytochrome P450 CYP199, GLYCEROL, ... | | Authors: | Hinchen, D.J, Wolf, M.E, Eltis, L.D, McGeehan, J.E. | | Deposit date: | 2024-07-25 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Characterization of a cytochrome P450 that catalyzes the O-demethylation of lignin-derived benzoates.
J.Biol.Chem., 2024
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9GAO
 | | Crystal structure of CRBNmidi in complex with 2-(4-(2,6-dioxopiperidin-3-yl)phenoxy)-N-methylacetamide | | Descriptor: | 2-[4-[(3~{R})-2,6-bis(oxidanylidene)piperidin-3-yl]phenoxy]-~{N}-methyl-ethanamide, Protein cereblon, ZINC ION | | Authors: | Rutter, Z.J, Kroupova, A, Zollman, D, Ciulli, A. | | Deposit date: | 2024-07-29 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (1.95 Å) | | Cite: | Design of a Cereblon construct for crystallographic and biophysical studies of protein degraders
To Be Published
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9GCV
 | | Identification of chloride ions in lysozyme at long wavelengths | | Descriptor: | CHLORIDE ION, Lysozyme C, SODIUM ION | | Authors: | El Omari, K, Forsyth, I, Orr, C.M, Wagner, A. | | Deposit date: | 2024-08-02 | | Release date: | 2024-10-02 | | Method: | X-RAY DIFFRACTION (2.703 Å) | | Cite: | Utilizing anomalous signals for element identification in macromolecular crystallography.
Acta Crystallogr D Struct Biol, 2024
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9GK2
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9GMO
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9GP8
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9GRD
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9GRE
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