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8HV1
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BU of 8hv1 by Molmil
Crystal structure of EGFR_DMX in complex with covalently bound fragment 1
分子名称: 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, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV4
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BU of 8hv4 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 4
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV5
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BU of 8hv5 by Molmil
Crystal structure of EGFR_DMX in complex with compound 7
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, Epidermal growth factor receptor, ~{N}-(1-methylbenzimidazol-4-yl)prop-2-enamide
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV3
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BU of 8hv3 by Molmil
Crystal structure of EGFR_DMX in complex with covalently bound fragment 4
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV6
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BU of 8hv6 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 8
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV2
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BU of 8hv2 by Molmil
Crystal structure of EGFR_wt in complex with covalently bound fragment 4
分子名称: Epidermal growth factor receptor, ~{N}-pyridin-2-ylprop-2-enamide
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV8
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BU of 8hv8 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 10
分子名称: 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
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV9
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BU of 8hv9 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 12
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
8HV7
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BU of 8hv7 by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound fragment 9
分子名称: 3,6,9,12,15,18,21,24-OCTAOXAHEXACOSAN-1-OL, DIMETHYL SULFOXIDE, Epidermal growth factor receptor, ...
著者Dokurno, P.
登録日2022-12-26
公開日2023-12-13
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.69 Å)
主引用文献A covalent fragment-based strategy targeting a novel cysteine to inhibit activity of mutant EGFR kinase.
Rsc Med Chem, 14, 2023
5XIT
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BU of 5xit by Molmil
Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, form II
分子名称: E3 ubiquitin-protein ligase RNF168, GLYCEROL, PRASEODYMIUM ION, ...
著者Takahashi, T.S, Sato, Y, Fukai, S.
登録日2017-04-27
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
5XIS
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BU of 5xis by Molmil
Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, form I
分子名称: E3 ubiquitin-protein ligase RNF168, MAGNESIUM ION, Ubiquitin-40S ribosomal protein S27a, ...
著者Takahashi, T.S, Sato, Y, Fukai, S.
登録日2017-04-27
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
5XIU
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BU of 5xiu by Molmil
Crystal structure of RNF168 UDM2 in complex with Lys63-linked diubiquitin
分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase RNF168, Ubiquitin-40S ribosomal protein S27a
著者Takahashi, T.S, Sato, Y, Fukai, S.
登録日2017-04-27
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168.
Nat Commun, 9, 2018
5Y32
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BU of 5y32 by Molmil
Crystal structure of PTP delta Ig1-Ig2 in complex with IL1RAPL1
分子名称: 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, ...
著者Yamagata, A, Fukai, S.
登録日2017-07-27
公開日2017-08-16
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Mechanisms of splicing-dependent trans-synaptic adhesion by PTP delta-IL1RAPL1/IL-1RAcP for synaptic differentiation.
Nat Commun, 6, 2015
5YDK
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BU of 5ydk by Molmil
Crystal structure of RNF168 UDM1 in complex with Lys63-linked diubiquitin, tetrameric form
分子名称: E3 ubiquitin-protein ligase RNF168, GLYCEROL, Ubiquitin-40S ribosomal protein S27a
著者Takahashi, T.S, Sato, Y, Fukai, S.
登録日2017-09-13
公開日2018-03-07
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.505 Å)
主引用文献Structural insights into two distinct binding modules for Lys63-linked polyubiquitin chains in RNF168
Nat Commun, 9, 2018
3VJ7
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BU of 3vj7 by Molmil
Crystal structure of the carboxy-terminal ribonuclease domain of Colicin E5 R33Q mutant
分子名称: 2'-DEOXYURIDINE 3'-MONOPHOSPHATE, 2-AMINO-9-(2-DEOXY-3-O-PHOSPHONOPENTOFURANOSYL)-1,9-DIHYDRO-6H-PURIN-6-ONE, Colicin-E5
著者Yajima, S, Inoue, S, Fushinobu, S, Ogawa, T, Hidaka, M, Masaki, H.
登録日2011-10-13
公開日2011-11-02
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Identification of the catalytic residues of sequence-specific and histidine-free ribonuclease colicin E5
J.Biochem., 152, 2012
3VXK
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BU of 3vxk by Molmil
Crystal structure of OsD14
分子名称: Dwarf 88 esterase
著者Xue, Y.-L, Miyakawa, T, Hou, F, Qin, H.-M, Tanokura, M.
登録日2012-09-18
公開日2013-09-25
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Molecular mechanism of strigolactone perception by DWARF14
Nat Commun, 4, 2013
3WIO
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BU of 3wio by Molmil
Crystal structure of OSD14 in complex with hydroxy D-ring
分子名称: (5R)-5-hydroxy-3-methylfuran-2(5H)-one, Probable strigolactone esterase D14
著者Xue, Y.-L, Miyakawa, T, Hou, F, Qin, H.-M, Tanokura, M.
登録日2013-09-22
公開日2013-10-23
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular mechanism of strigolactone perception by DWARF14
Nat Commun, 4, 2013
3WWQ
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BU of 3wwq by Molmil
Crystal structure of FAAP20 UBZ domain in complex with Lys63-linked diubiquitin
分子名称: Fanconi anemia-associated protein of 20 kDa, Ubiquitin, ZINC ION
著者Sato, Y, Fukai, S.
登録日2014-06-23
公開日2015-05-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Structural Basis for Ubiquitin Recognition by Ubiquitin-Binding Zinc Finger of FAAP20
Plos One, 10, 2015
5Y31
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BU of 5y31 by Molmil
Crystal structure of human LGI1-ADAM22 complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Disintegrin and metalloproteinase domain-containing protein 22, ...
著者Yamagata, A, Fukai, S.
登録日2017-07-27
公開日2018-05-02
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (7.125 Å)
主引用文献Structural basis of epilepsy-related ligand-receptor complex LGI1-ADAM22.
Nat Commun, 9, 2018
5Y30
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BU of 5y30 by Molmil
Crystal structure of LGI1 LRR domain
分子名称: Leucine-rich glioma-inactivated protein 1
著者Yamagata, A, Fukai, S.
登録日2017-07-27
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.781 Å)
主引用文献Structural basis of epilepsy-related ligand-receptor complex LGI1-ADAM22.
Nat Commun, 9, 2018
5YAQ
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BU of 5yaq by Molmil
Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with scyllo-inosose
分子名称: (2R,3S,4s,5R,6S)-2,3,4,5,6-pentahydroxycyclohexanone, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity
著者Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S.
登録日2017-09-01
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification
PLoS ONE, 13, 2018
5Y2Z
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BU of 5y2z by Molmil
Crystal structure of human LGI1 EPTP-ADAM22 complex
分子名称: 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, ...
著者Yamagata, A, Fukai, S.
登録日2017-07-27
公開日2018-05-02
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.67 Å)
主引用文献Structural basis of epilepsy-related ligand-receptor complex LGI1-ADAM22.
Nat Commun, 9, 2018
5YAB
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BU of 5yab by Molmil
Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity
分子名称: ACETATE ION, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity
著者Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S.
登録日2017-08-31
公開日2018-05-23
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification
PLoS ONE, 13, 2018
5YAP
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BU of 5yap by Molmil
Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with L-glucono-1,5-lactone
分子名称: 1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE, L-glucono-1,5-lactone, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity
著者Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S.
登録日2017-09-01
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural basis of L-glucose oxidation by scyllo-inositol dehydrogenase: Implications for a novel enzyme subfamily classification
PLoS ONE, 13, 2018
5YA8
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BU of 5ya8 by Molmil
Crystal structure of scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity complexed with myo-inositol
分子名称: 1,2,3,4,5,6-HEXAHYDROXY-CYCLOHEXANE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, Scyllo-inositol dehydrogenase with L-glucose dehydrogenase activity
著者Fukano, K, Shimizu, T, Sasaki, Y, Nakamura, A, Yajima, S.
登録日2017-08-31
公開日2018-05-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献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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