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6V94
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BU of 6v94 by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
分子名称: 1-[(4-fluorophenyl)methyl]-2-methyl-4-nitro-1H-imidazole, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Fesik, S.W.
登録日2019-12-13
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6TJW
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BU of 6tjw by Molmil
Crystal structure of the haemagglutinin mutant (Gln226Leu, Del228) from an H10N7 seal influenza virus isolated in Germany
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhang, J, Xiong, X, Purkiss, A, Walker, P, Gamblin, S, Skehel, J.J.
登録日2019-11-27
公開日2020-10-21
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献Hemagglutinin Traits Determine Transmission of Avian A/H10N7 Influenza Virus between Mammals.
Cell Host Microbe, 28, 2020
6GOO
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BU of 6goo by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Perfluorooctanoic acid (PFOA). Crystallized in AmSO4
分子名称: Transthyretin, pentadecafluorooctanoic acid
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-01
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
7U8C
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BU of 7u8c by Molmil
Crystal structure of Mesothelin C-terminal peptide-MORAb 15B6 FAB complex
分子名称: MORab 15B6 Fab heavy chain, MORab 15B6 Fab light chain, Mesothelin, ...
著者Zhan, J, Esser, L, Xia, D.
登録日2022-03-08
公開日2022-06-08
最終更新日2023-10-18
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Highly active CAR T cells that bind to a juxtamembrane region of mesothelin and are not blocked by shed mesothelin.
Proc.Natl.Acad.Sci.USA, 119, 2022
6GRP
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BU of 6grp by Molmil
Crystal Structure Of Human Transthyretin in complex with 3,5,6-trichloro-2-pyridinol (TC2P)
分子名称: 3,5,6-trichloro-2-pyridinol, SODIUM ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-06-12
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNO
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BU of 6gno by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with Tetrabromobisphenol A (TBBPA)
分子名称: 4,4'-propane-2,2-diylbis(2,6-dibromophenol), SULFATE ION, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
6GNW
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BU of 6gnw by Molmil
Crystal Structure Of Sea Bream Transthyretin in complex with 2,4,5-trichlorophenoxyacetic acid (2,4,5-T)
分子名称: 2-[2,4,5-tris(chloranyl)phenoxy]ethanoic acid, Transthyretin
著者Grundstrom, C, Zhang, J, Olofsson, A, Andersson, P.L, Sauer-Eriksson, A.E.
登録日2018-05-31
公開日2018-07-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Interspecies Variation between Fish and Human Transthyretins in Their Binding of Thyroid-Disrupting Chemicals.
Environ. Sci. Technol., 52, 2018
7U8H
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BU of 7u8h by Molmil
Discovery of a KRAS G12V Inhibitor in vivo Tool Compound starting from an HSQC-NMR based Fragment Hit
分子名称: 1H-benzimidazol-2-ylmethanethiol, 2-amino-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile, GTPase KRas, ...
著者Phan, J, Fesik, S.W.
登録日2022-03-08
公開日2022-11-09
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (1.702 Å)
主引用文献Fragment Optimization of Reversible Binding to the Switch II Pocket on KRAS Leads to a Potent, In Vivo Active KRAS G12C Inhibitor.
J.Med.Chem., 65, 2022
5L4M
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BU of 5l4m by Molmil
Crystal Structure of Human Transthyretin in Complex with 3,5,6-Trichloro-2-pyridinyloxyacetic acid (Triclopyr)
分子名称: SODIUM ION, Transthyretin, Triclopyr
著者Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.581 Å)
主引用文献Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
6UJH
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BU of 6ujh by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: (2R)-2-(4-chlorophenyl)-3-oxobutanenitrile, DIMETHYL SULFOXIDE, SULFATE ION, ...
著者Phan, J, Fesik, S.W.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.493 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
7V3P
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BU of 7v3p by Molmil
Cryo-EM structure of the IGF1R/insulin complex
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Insulin A chain, Insulin B chain, ...
著者Zhang, J, Liu, C, Zhang, X, Wei, T, Wu, C.
登録日2021-08-11
公開日2022-08-17
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Cryo-EM structure of the IGF1R/insulin complex
To Be Published
6UJL
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BU of 6ujl by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 6-methyl-3-(propylsulfanyl)-1,2,4-triazin-5-ol, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.599 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
6UJJ
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BU of 6ujj by Molmil
Discovery of fragment-inspired heterocyclic benzenesulfonamides as inhibitors of the WDR5-MYC interaction
分子名称: 5-[4-(trifluoromethyl)phenyl]-1H-tetrazole, WD repeat-containing protein 5
著者Phan, J.
登録日2019-10-03
公開日2020-04-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (1.731 Å)
主引用文献Discovery of WD Repeat-Containing Protein 5 (WDR5)-MYC Inhibitors Using Fragment-Based Methods and Structure-Based Design.
J.Med.Chem., 63, 2020
7N1W
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BU of 7n1w by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.33 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1Y
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BU of 7n1y by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4.3 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1U
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BU of 7n1u by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.14 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1X
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BU of 7n1x by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (4 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1T
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BU of 7n1t by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1V
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BU of 7n1v by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.5 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
7N1Q
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BU of 7n1q by Molmil
Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants
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Zhang, J, Cai, Y.F, Xiao, T.S, Rawson, S, Peng, H.Q, Sterling, S.M, Walsh Jr, R.M, Volloch, S.R, Chen, B.
登録日2021-05-28
公開日2021-07-07
最終更新日2021-08-18
実験手法ELECTRON MICROSCOPY (3.44 Å)
主引用文献Structural basis for enhanced infectivity and immune evasion of SARS-CoV-2 variants.
Science, 373, 2021
6V9N
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BU of 6v9n by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
分子名称: 4-phenoxybenzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Fesik, S.W.
登録日2019-12-13
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.648 Å)
主引用文献Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
6V9J
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BU of 6v9j by Molmil
Expanding the Chemical Landscape of SOS1 Activators Using Fragment Based Methods
分子名称: 3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide, FORMIC ACID, GLYCEROL, ...
著者Phan, J, Fesik, S.W.
登録日2019-12-13
公開日2020-08-26
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献Discovery of Sulfonamide-Derived Agonists of SOS1-Mediated Nucleotide Exchange on RAS Using Fragment-Based Methods.
J.Med.Chem., 63, 2020
5L4I
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BU of 5l4i by Molmil
Crystal Structure of Human Transthyretin in Complex with Clonixin
分子名称: 2-(3-chloro-2-methylanilino)pyridine-3-carboxylic acid, SODIUM ION, Transthyretin
著者Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
5L4F
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BU of 5l4f by Molmil
Crystal Structure of Human Transthyretin in Complex with 2,6-Dinitro-p-cresol (DNPC)
分子名称: 2,6-Dinitro-p-cresol, SODIUM ION, Transthyretin
著者Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
登録日2016-05-25
公開日2016-10-05
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016
5L4J
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BU of 5l4j by Molmil
Crystal Structure of Human Transthyretin in Complex with 4,4'-Dihydroxydiphenyl sulfone (Bisphenol S, BPS)
分子名称: 4-(4-hydroxyphenyl)sulfonylphenol, SODIUM ION, Transthyretin
著者Grundstrom, C, Hall, M, Zhang, J, Olofsson, A, Andersson, P, Sauer-Eriksson, A.E.
登録日2016-05-25
公開日2016-10-12
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献Structure-Based Virtual Screening Protocol for in Silico Identification of Potential Thyroid Disrupting Chemicals Targeting Transthyretin.
Environ. Sci. Technol., 50, 2016

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