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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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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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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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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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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8HV2
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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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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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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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5XIT
 | | Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, form II | | Descriptor: | E3 ubiquitin-protein ligase RNF168, GLYCEROL, PRASEODYMIUM ION, ... | | 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 (2.25 Å) | | Cite: | Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
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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
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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
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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
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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
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3VJ7
 | | Crystal structure of the carboxy-terminal ribonuclease domain of Colicin E5 R33Q mutant | | Descriptor: | 2'-DEOXYURIDINE 3'-MONOPHOSPHATE, 2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE, Colicin-E5 | | Authors: | Yajima, S, Inoue, S, Fushinobu, S, Ogawa, T, Hidaka, M, Masaki, H. | | Deposit date: | 2011-10-13 | | Release date: | 2011-11-02 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Identification of the catalytic residues of sequence-specific and histidine-free ribonuclease colicin E5
J.Biochem., 152, 2012
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3VXK
 | | Crystal structure of OsD14 | | Descriptor: | Dwarf 88 esterase | | Authors: | Xue, Y.-L, Miyakawa, T, Hou, F, Qin, H.-M, Tanokura, M. | | Deposit date: | 2012-09-18 | | Release date: | 2013-09-25 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Molecular mechanism of strigolactone perception by DWARF14
Nat Commun, 4, 2013
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3WIO
 | | Crystal structure of OSD14 in complex with hydroxy D-ring | | Descriptor: | (5R)-5-hydroxy-3-methylfuran-2(5H)-one, Probable strigolactone esterase D14 | | Authors: | Xue, Y.-L, Miyakawa, T, Hou, F, Qin, H.-M, Tanokura, M. | | Deposit date: | 2013-09-22 | | Release date: | 2013-10-23 | | Last modified: | 2023-11-08 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Molecular mechanism of strigolactone perception by DWARF14
Nat Commun, 4, 2013
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3WWQ
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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
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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
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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
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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
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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
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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
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5YA8
 | | Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with myo-inositol | | Descriptor: | 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity | | Authors: | Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S. | | Deposit date: | 2017-08-31 | | Release date: | 2018-05-23 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification
PLoS ONE, 13, 2018
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