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8S0S
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BU of 8s0s by Molmil
A fragment-based inhibitor of SHP2
分子名称: (1R,5S)-8-[7-(4-chloranyl-2-methyl-indazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-3-yl]-8-azabicyclo[3.2.1]octan-3-amine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S01
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BU of 8s01 by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3-(4-chlorophenyl)-1H-pyrazole, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S04
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BU of 8s04 by Molmil
A fragment-based inhibitor of SHP2
分子名称: N-(1H-indol-7-yl)methanesulfonamide, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-13
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0K
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BU of 8s0k by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3-[2,3-bis(chloranyl)phenyl]-5-methyl-6-(piperazin-1-ylmethyl)-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
8S0I
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BU of 8s0i by Molmil
A fragment-based inhibitor of SHP2
分子名称: 3-phenyl-1H-pyrrolo[3,2-b]pyridine, Tyrosine-protein phosphatase non-receptor type 11
著者Cleasby, A, Price, A.
登録日2024-02-14
公開日2024-03-20
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.929 Å)
主引用文献Fragment-Based Discovery of Allosteric Inhibitors of SH2 Domain-Containing Protein Tyrosine Phosphatase-2 (SHP2).
J.Med.Chem., 67, 2024
5H11
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BU of 5h11 by Molmil
Crystal structure of Zebrafish Sec10
分子名称: BROMIDE ION, Uncharacterized protein
著者Chen, J, Yamagata, A, Fukai, S.
登録日2016-10-07
公開日2017-02-01
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.732 Å)
主引用文献Crystal structure of Sec10, a subunit of the exocyst complex
Sci Rep, 7, 2017
5GVI
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BU of 5gvi by Molmil
Zebrafish USP30 in complex with Lys6-linked diubiquitin
分子名称: Ubiquitin carboxyl-terminal hydrolase 30, ZINC ION, ubiquitin
著者Sato, Y, Fukai, S.
登録日2016-09-05
公開日2017-09-13
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献Structural basis for specific cleavage of Lys6-linked polyubiquitin chains by USP30
Nat. Struct. Mol. Biol., 24, 2017
3PUR
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BU of 3pur by Molmil
CEKDM7A from C.Elegans, complex with D-2-HG
分子名称: (2R)-2-hydroxypentanedioic acid, FE (II) ION, Lysine-specific demethylase 7 homolog, ...
著者Yang, Y, Wang, P, Xu, W, Xu, Y.
登録日2010-12-06
公開日2011-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Cancer Cell, 19, 2011
3PUQ
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BU of 3puq by Molmil
CEKDM7A from C.Elegans, complex with alpha-KG
分子名称: 2-OXOGLUTARIC ACID, FE (II) ION, GLYCEROL, ...
著者Yang, Y, Wang, P, Xu, W, Xu, Y.
登録日2010-12-06
公開日2011-01-26
最終更新日2024-03-20
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献Oncometabolite 2-hydroxyglutarate is a competitive inhibitor of alpha-ketoglutarate-dependent dioxygenases
Cancer Cell, 19, 2011
8W83
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BU of 8w83 by Molmil
HLA-DQ2.5-alpha1 gliadin peptide in complex with DQN0344AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.818 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
8W86
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BU of 8w86 by Molmil
HLA-DQ2.5-B/C hordein peptide in complex with DQN0385AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE02 Fab heavy chain, DQN0385AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.236 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
8W84
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BU of 8w84 by Molmil
HLA-DQ2.5-alpha2 gliadin peptide in complex with DQN0344AE02
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0344AE02 Fab heavy chain, DQN0344AE02 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.105 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
8W85
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BU of 8w85 by Molmil
HLA-DQ2.5-gamma2 gliadin peptide in complex with DQN0385AE01
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DQN0385AE01 Fab heavy chain, DQN0385AE01 Fab light chain, ...
著者Irie, M, Tsushima, T, Teranishi-Ikawa, Y, Takahashi, N, Ishii, S, Okura, Y, Fukami, T.A, Torizawa, T.
登録日2023-08-31
公開日2023-11-08
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.769 Å)
主引用文献Characterizations of a neutralizing antibody broadly reactive to multiple gluten peptide:HLA-DQ2.5 complexes in the context of celiac disease.
Nat Commun, 14, 2023
6L3R
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BU of 6l3r by Molmil
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
分子名称: 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, ...
著者Miyahara, S, Chong, K.T, Suzuki, T.
登録日2019-10-15
公開日2020-10-28
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
6L7L
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BU of 6l7l by Molmil
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
分子名称: 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, ...
著者Miyahara, S, Chong, K.T, Suzuki, T.
登録日2019-11-01
公開日2020-11-04
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.171 Å)
主引用文献TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
6LKM
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BU of 6lkm by Molmil
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
分子名称: 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, ...
著者Miyahara, S, Chong, K.T, Suzuki, T.
登録日2019-12-19
公開日2020-12-23
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献TAS1553, a novel small molecule ribonucleotide reductase (RNR) subunit interaction inhibitor, displays remarkable anti-tumor activity
To be published
5YJ9
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BU of 5yj9 by Molmil
Crystal structure of Tribolium castaneum PINK1 kinase domain in complex with AMP-PNP
分子名称: MAGNESIUM ION, PHOSPHOAMINOPHOSPHONIC ACID-ADENYLATE ESTER, Serine/threonine-protein kinase PINK1, ...
著者Okatsu, K, Sato, Y, Fukai, S.
登録日2017-10-09
公開日2018-07-25
実験手法X-RAY DIFFRACTION (2.53 Å)
主引用文献Structural insights into ubiquitin phosphorylation by PINK1.
Sci Rep, 8, 2018
2RST
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BU of 2rst by Molmil
NMR structure of the C-terminal domain of EW29
分子名称: 29-kDa galactose-binding lectin
著者Hemmi, H.
登録日2012-05-29
公開日2013-04-17
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献NMR structure and dynamics of the C-terminal domain of R-type lectin from the earthworm Lumbricus terrestris
Febs J., 280, 2013
6KIP
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BU of 6kip by Molmil
Crystal structure of PTPRD phosphatase domain in complex with Liprin-alpha3 tandem SAM domains
分子名称: Liprin-alpha-3, Receptor-type tyrosine-protein phosphatase delta
著者Wakita, M, Yamagata, A, Fukai, S.
登録日2019-07-19
公開日2020-02-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.911 Å)
主引用文献Structural insights into selective interaction between type IIa receptor protein tyrosine phosphatases and Liprin-alpha.
Nat Commun, 11, 2020
6L8S
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BU of 6l8s by Molmil
High resolution crystal structure of crustacean hemocyanin.
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ...
著者Masuda, T, Mikami, B, Baba, S.
登録日2019-11-07
公開日2020-05-27
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献The high-resolution crystal structure of lobster hemocyanin shows its enzymatic capability as a phenoloxidase.
Arch.Biochem.Biophys., 688, 2020
3A4T
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BU of 3a4t by Molmil
Crystal structure of aTrm4 from M.jannaschii with sinefungin
分子名称: Putative methyltransferase MJ0026, SINEFUNGIN
著者Hirano, M, Kuratani, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2009-07-14
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of Methanocaldococcus jannaschii Trm4 complexed with sinefungin.
J.Mol.Biol., 401, 2010
3AJD
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BU of 3ajd by Molmil
Crystal structure of ATRM4
分子名称: GLYCEROL, ISOPROPYL ALCOHOL, Putative methyltransferase MJ0026
著者Hirano, M, Kuratani, M, Yokoyama, S, RIKEN Structural Genomics/Proteomics Initiative (RSGI)
登録日2010-06-01
公開日2010-06-30
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献Crystal structure of Methanocaldococcus jannaschii Trm4 complexed with sinefungin.
J.Mol.Biol., 401, 2010
5GQE
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BU of 5gqe by Molmil
Crystal structure of michaelis complex of xylanase mutant (T82A, N127S, and E128H) from Streptomyces olivaceoviridis E-86
分子名称: Beta-xylanase, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, beta-D-xylopyranose-(1-4)-beta-D-xylopyranose-(1-4)-beta-D-xylopyranose, ...
著者Suzuki, R, Fujimoto, Z, Kaneko, S, Kuno, A.
登録日2016-08-07
公開日2017-08-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Azidolysis by the Formation of Stable Ser-His Catalytic Dyad in a Glycoside Hydrolase Family 10 Xylanase Mutant
J.Appl.Glyosci., 65, 2019
5GQD
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BU of 5gqd by Molmil
Crystal structure of covalent glycosyl-enzyme intermediate of xylanase mutant (T82A, N127S, and E128H) from Streptomyces olivaceoviridis E-86
分子名称: Beta-xylanase, GLYCEROL, beta-D-xylopyranose-(1-4)-alpha-D-xylopyranose
著者Suzuki, R, Fujimoto, Z, Kaneko, S, Kuno, A.
登録日2016-08-07
公開日2017-08-09
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Azidolysis by the Formation of Stable Ser-His Catalytic Dyad in a Glycoside Hydrolase Family 10 Xylanase Mutant
J.Appl.Glyosci., 65, 2019
8HVA
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BU of 8hva by Molmil
Crystal structure of EGFR_TMX in complex with covalently bound compound 14
分子名称: Epidermal growth factor receptor, ~{N}-[6-(1-methylindol-3-yl)pyrimidin-4-yl]prop-2-enamide
著者Takahashi, M, 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 (2.77 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

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件を2024-05-15に公開中

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