3EQ8
 
 | | Prolyl oligopeptidase complexed with R-Pro-(decarboxy-Pro)-Type inhibitors | | Descriptor: | 1-{3-oxo-3-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]propyl}-3-phenylquinoxalin-2(1H)-one, Prolyl endopeptidase | | Authors: | Kanai, K, Aranyi, P, Bocskei, Z, Ferenczy, G, Harmat, V, Simon, K, Naray-Szabo, G, Hermecz, I. | | Deposit date: | 2008-09-30 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.73 Å) | | Cite: | Prolyl oligopeptidase inhibition by N-acyl-pro-pyrrolidine-type molecules
J.Med.Chem., 51, 2008
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3EQ9
 | | Prolyl oligopeptidase complexed with R-Pro-(decarboxy-Pro)-Type inhibitors | | Descriptor: | 3-{4-oxo-4-[(2S)-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]butyl}-5,5-diphenylimidazolidine-2,4-dione, Prolyl endopeptidase | | Authors: | Kanai, K, Aranyi, P, Bocskei, Z, Ferenczy, G, Harmat, V, Simon, K, Naray-Szabo, G, Hermecz, I. | | Deposit date: | 2008-09-30 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.47 Å) | | Cite: | Prolyl oligopeptidase inhibition by N-acyl-pro-pyrrolidine-type molecules
J.Med.Chem., 51, 2008
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3EQ7
 | | Prolyl oligopeptidase complexed with R-Pro-(decarboxy-Pro)-Type inhibitors | | Descriptor: | 2-{3-[(2S)-4,4-difluoro-2-(pyrrolidin-1-ylcarbonyl)pyrrolidin-1-yl]-3-oxopropyl}-isoindole-1,3(2H)-dione, Prolyl endopeptidase | | Authors: | Kanai, K, Aranyi, P, Bocskei, Z, Ferenczy, G, Harmat, V, Simon, K, Naray-Szabo, G, Hermecz, I. | | Deposit date: | 2008-09-30 | | Release date: | 2009-08-25 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2.89 Å) | | Cite: | Prolyl oligopeptidase inhibition by N-acyl-pro-pyrrolidine-type molecules
J.Med.Chem., 51, 2008
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5X1V
 | | PKM2 in complex with compound 2 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2017-01-27 | | Release date: | 2017-05-31 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
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8HV7
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 9 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.69 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8HVA
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8HV2
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8HV6
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 8 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8HV1
 | | Crystal structure of EGFR_DMX in complex with covalently bound fragment 1 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, 3-(3-bromophenyl)-1,4-dihydro-1,2,4-triazole-5-thione, Epidermal growth factor receptor, ... | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8HV5
 | | Crystal structure of EGFR_DMX in complex with compound 7 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8HV4
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 4 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, DIMETHYL SULFOXIDE, ... | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8HV8
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 10 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-pyrazolo[1,5-a]pyridin-2-ylprop-2-enamide | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8HV3
 | | Crystal structure of EGFR_DMX in complex with covalently bound fragment 4 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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8HV9
 | | Crystal structure of EGFR_TMX in complex with covalently bound fragment 12 | | Descriptor: | 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ... | | Authors: | Dokurno, P. | | Deposit date: | 2022-12-26 | | Release date: | 2023-12-13 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (2.5 Å) | | Cite: | A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
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5X1W
 | | PKM2 in complex with compound 5 | | Descriptor: | 1,6-di-O-phosphono-beta-D-fructofuranose, 4-[2,3-bis(chloranyl)phenyl]carbonyl-N-[2-[[4-[2,3-bis(chloranyl)phenyl]carbonyl-1-methyl-pyrrol-2-yl]carbonylamino]ethyl]-1-methyl-pyrrole-2-carboxamide, Pyruvate kinase PKM | | Authors: | Matsui, Y, Hanzawa, H. | | Deposit date: | 2017-01-27 | | Release date: | 2017-05-31 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Discovery and structure-guided fragment-linking of 4-(2,3-dichlorobenzoyl)-1-methyl-pyrrole-2-carboxamide as a pyruvate kinase M2 activator
Bioorg. Med. Chem., 25, 2017
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