2Z2T
| |
8HVA
| |
8HV2
| |
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
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
|
|
5XIS
| Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, form I | Descriptor: | E3 ubiquitin-protein ligase RNF168, MAGNESIUM ION, Ubiquitin-40S ribosomal protein S27a, ... | Authors: | Takahashi, T.S, Sato, Y, Fukai, S. | Deposit date: | 2017-04-27 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.78 Å) | Cite: | Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168. Nat Commun, 9, 2018
|
|
5XIU
| Crystal structure of RNF168 UDM2 in complex with Lys63-linked diubiquitin | Descriptor: | 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF168, Ubiquitin-40S ribosomal protein S27a | Authors: | Takahashi, T.S, Sato, Y, Fukai, S. | Deposit date: | 2017-04-27 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168. Nat Commun, 9, 2018
|
|
5Y32
| Crystal structure of PTP delta Ig1-Ig2 in complex with IL1RAPL1 | 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: | Yamagata, A, Fukai, S. | Deposit date: | 2017-07-27 | Release date: | 2017-08-16 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.701 Å) | Cite: | Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation. Nat Commun, 6, 2015
|
|
5YDK
| Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, tetrameric form | Descriptor: | E3 ubiquitin-protein ligase RNF168, GLYCEROL, Ubiquitin-40S ribosomal protein S27a | Authors: | Takahashi, T.S, Sato, Y, Fukai, S. | Deposit date: | 2017-09-13 | Release date: | 2018-03-07 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.505 Å) | Cite: | Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168 Nat Commun, 9, 2018
|
|
3B2E
| |
6L3R
| Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide | Descriptor: | 4-bromo-N-((1S,2R)-2-(naphthalen-1-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)benzenesulfonamide, ACETATE ION, MAGNESIUM ION, ... | Authors: | Miyahara, S, Chong, K.T, Suzuki, T. | Deposit date: | 2019-10-15 | Release date: | 2020-10-28 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity To be published
|
|
6L7L
| Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide | Descriptor: | 5-chloro-2-(N-((1S,2R)-2-(2,3-dihydro-1H-inden-4-yl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)sulfamoyl)benzamide, ACETATE ION, MAGNESIUM ION, ... | Authors: | Miyahara, S, Chong, K.T, Suzuki, T. | Deposit date: | 2019-11-01 | Release date: | 2020-11-04 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.171 Å) | Cite: | TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity To be published
|
|
6LKM
| Crystal structure of Ribonucleotide reductase R1 subunit, RRM1 in complex with 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide | Descriptor: | 5-chloro-N-((1S,2R)-2-(6-fluoro-2,3-dimethylphenyl)-1-(5-oxo-4,5-dihydro-1,3,4-oxadiazol-2-yl)propyl)-4-methyl-3,4-dihydro-2H-benzo[b][1,4]oxazine-8-sulfonamide, MAGNESIUM ION, Ribonucleoside-diphosphate reductase large subunit, ... | Authors: | Miyahara, S, Chong, K.T, Suzuki, T. | Deposit date: | 2019-12-19 | Release date: | 2020-12-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.55 Å) | Cite: | TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity To be published
|
|
5Y31
| Crystal structure of human LGI1-ADAM22 complex | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 22, ... | Authors: | Yamagata, A, Fukai, S. | Deposit date: | 2017-07-27 | Release date: | 2018-05-02 | Last modified: | 2020-07-29 | Method: | X-RAY DIFFRACTION (7.125 Å) | Cite: | Structural basis of epilepsy-related ligand-receptor complex LGI1-ADAM22. Nat Commun, 9, 2018
|
|
5Y30
| Crystal structure of LGI1 LRR domain | Descriptor: | Leucine-rich glioma-inactivated protein 1 | Authors: | Yamagata, A, Fukai, S. | Deposit date: | 2017-07-27 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.781 Å) | Cite: | Structural basis of epilepsy-related ligand-receptor complex LGI1-ADAM22. Nat Commun, 9, 2018
|
|
5YAQ
| Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with scyllo-inosose | Descriptor: | (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | Authors: | Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S. | Deposit date: | 2017-09-01 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.99 Å) | Cite: | Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification PLoS ONE, 13, 2018
|
|
5Y2Z
| Crystal structure of human LGI1 EPTP-ADAM22 complex | 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: | Yamagata, A, Fukai, S. | Deposit date: | 2017-07-27 | Release date: | 2018-05-02 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (2.67 Å) | Cite: | Structural basis of epilepsy-related ligand-receptor complex LGI1-ADAM22. Nat Commun, 9, 2018
|
|
5YAB
| Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | Descriptor: | ACETATE ION, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | Authors: | Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S. | Deposit date: | 2017-08-31 | Release date: | 2018-05-23 | Last modified: | 2024-03-27 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification PLoS ONE, 13, 2018
|
|
5YAP
| Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with L-glucono-1,5-lactone | Descriptor: | 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-glucono-1,5-lactone, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | Authors: | Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S. | Deposit date: | 2017-09-01 | Release date: | 2018-05-23 | Last modified: | 2023-11-22 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification PLoS ONE, 13, 2018
|
|