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PDB: 40736 件
8QSQ
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BU of 8qsq by Molmil
Locally refined SARS-CoV-2 BA-2.86 Spike receptor binding domain (RBD) complexed with angiotensin converting enzyme 2 (ACE2)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Processed angiotensin-converting enzyme 2, Spike protein S2'
著者Ren, J, Stuart, D.I, Duyvesteyn, H.M.E.
登録日2023-10-11
公開日2024-05-08
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献A structure-function analysis shows SARS-CoV-2 BA.2.86 balances antibody escape and ACE2 affinity.
Cell Rep Med, 5, 2024
7BD8
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Notum Fragment 872
分子名称: (2,5-dimethylphenyl) pyridine-4-carboxylate, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BDF
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BU of 7bdf by Molmil
Notum Fragment 927
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-phenoxyethanoyl)piperazin-2-one, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BDH
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BU of 7bdh by Molmil
Notum Fragment 955
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, N-(2,1,3-Benzothiadiazol-5-yl)acetamide, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BCI
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BU of 7bci by Molmil
Notum Fragment 784
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, SULFATE ION, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-19
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BDB
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BU of 7bdb by Molmil
Notum Fragment 916
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-ethyl-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B98
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Notum Fragment 282
分子名称: (3-phenyl-1,2-oxazol-5-yl)methylazanium, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B9U
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BU of 7b9u by Molmil
Notum Fragment 609
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-[(furan-2-yl)methyl]-1lambda~6~,4-thiazinane-1,1-dione, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BAC
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BU of 7bac by Molmil
Notum Fragment 646
分子名称: 1-(1,3-benzodioxol-5-yl)-~{N}-[[(2~{R})-oxolan-2-yl]methyl]methanamine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-15
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BCC
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BU of 7bcc by Molmil
Notum Fragment 705
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(4-pyrrol-1-ylphenyl)morpholine, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-19
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BCF
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BU of 7bcf by Molmil
Notum Fragment 722
分子名称: 2-[4-(2,5-Dioxopyrrolidin-1-yl)phenoxy]acetate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-19
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.86 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BD2
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BU of 7bd2 by Molmil
Notum Fragment 810
分子名称: DIMETHYL SULFOXIDE, N-[2-(4-hydroxyphenyl)ethyl]pyridine-2-carboxamide, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BD4
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BU of 7bd4 by Molmil
Notum Fragment 828
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BDD
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BU of 7bdd by Molmil
Notum Fragment 924
分子名称: (2~{R})-2-(4-phenylphenoxy)propanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BDG
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BU of 7bdg by Molmil
Notum Fragment 934
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
6OHK
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BU of 6ohk by Molmil
Crystal structure of Fusobacterium nucleatum flavodoxin mutant K13G bound to flavin mononucleotide
分子名称: FLAVIN MONONUCLEOTIDE, Flavodoxin, GLYCEROL
著者Kolesnikov, M, Murphy, M.E.P.
登録日2019-04-05
公開日2019-06-05
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structural insight into the high reduction potentials observed for Fusobacterium nucleatum flavodoxin.
Protein Sci., 28, 2019
7BC8
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BU of 7bc8 by Molmil
Notum Fragment 658
分子名称: 1,2-ETHANEDIOL, 2-(benzyloxy)benzohydrazide, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-18
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BCL
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BU of 7bcl by Molmil
Notum Fragment 792
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-19
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BDA
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BU of 7bda by Molmil
Notum Fragment 900
分子名称: (benzyloxy)acetic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7BCH
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BU of 7bch by Molmil
Notum Fragment 772
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, N-Benzyl-2-methoxyacetamide, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-19
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
8R67
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BU of 8r67 by Molmil
tubulin-cryptophycin complex
分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid, CALCIUM ION, ...
著者Abel, A.C, Muehlethaler, T, Dessin, C, Steinmetz, M.O, Sewald, N, Prota, A.E.
登録日2023-11-21
公開日2024-05-22
最終更新日2024-06-12
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Bridging the maytansine and vinca sites: Cryptophycins target beta-tubulin's T5-loop.
J.Biol.Chem., 300, 2024
7BD5
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BU of 7bd5 by Molmil
Notum Fragment 830
分子名称: 2-(4-ethoxyphenyl)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
7B9D
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BU of 7b9d by Molmil
Notum Fragment 290
分子名称: 2-(4-acetamidophenoxy)ethanoic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, Palmitoleoyl-protein carboxylesterase NOTUM, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-14
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022
1UT1
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BU of 1ut1 by Molmil
DraE adhesin from Escherichia Coli
分子名称: 1,2-ETHANEDIOL, DR HEMAGGLUTININ STRUCTURAL SUBUNIT, SULFATE ION
著者Anderson, K.L, Billington, J, Pettigrew, D, Cota, E, Roversi, P, Simpson, P, Chen, H.A, Urvil, P, Dumerle, L, Barlow, P, Medof, E, Smith, R.A.G, Nowicki, B, Le Bouguenec, C, Lea, S.M, Matthews, S.
登録日2003-12-02
公開日2004-08-31
最終更新日2023-12-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献High Resolution Studies of the Afa/Dr Adhesin Drae and its Interaction with Chloramphenicol
J.Biol.Chem., 279, 2004
7BDC
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BU of 7bdc by Molmil
Notum Fragment 923
分子名称: 1-methyl-N-[(2-methylphenyl)methyl]-1H-tetrazol-5-amine, 2-acetamido-2-deoxy-beta-D-glucopyranose, DIMETHYL SULFOXIDE, ...
著者Zhao, Y, Jones, E.Y.
登録日2020-12-21
公開日2022-01-12
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.32 Å)
主引用文献Structural Analysis and Development of Notum Fragment Screening Hits.
Acs Chem Neurosci, 13, 2022

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