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7CMD
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BU of 7cmd by Molmil
Crystal structure of the SARS-CoV-2 PLpro with GRL0617
分子名称: 5-amino-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide, Non-structural protein 3, ZINC ION
著者Gao, X, Cui, S.
登録日2020-07-27
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
7CJD
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BU of 7cjd by Molmil
Crystal structure of the SARS-CoV-2 PLpro C111S mutant
分子名称: 1,2-ETHANEDIOL, Non-structural protein 3, ZINC ION
著者Gao, X, Cui, S.
登録日2020-07-10
公開日2020-09-02
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.501 Å)
主引用文献Crystal structure of SARS-CoV-2 papain-like protease.
Acta Pharm Sin B, 11, 2021
7C4D
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BU of 7c4d by Molmil
Marine microorganism esterase
分子名称: 1,2-ETHANEDIOL, ACETATE ION, Putative esterase, ...
著者Zhu, C.H, Wu, Y.K, Isupov, M.N.
登録日2020-05-16
公開日2021-05-26
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献Structural Insights into a Novel Esterase from the East Pacific Rise and Its Improved Thermostability by a Semirational Design.
J.Agric.Food Chem., 69, 2021
7D64
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BU of 7d64 by Molmil
The crystal structure of SARS-CoV-2 3CLpro with Zinc
分子名称: 3C-like proteinase, ZINC ION
著者Mao, Z.W, Xia, W, Tao, X.
登録日2020-09-29
公開日2021-09-29
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.450116 Å)
主引用文献Inhibition of SARS-CoV-2 replication by zinc gluconate in combination with hinokitiol.
J.Inorg.Biochem., 231, 2022
7DNF
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BU of 7dnf by Molmil
DARPin 63_B7 in complex with V3-IY (MN) crown mimetic
分子名称: DARPin 63_B7, SULFATE ION, V3-IY (MN) crown mimetic peptide
著者Wu, Y, Plueckthun, A.
登録日2020-12-09
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7DNG
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DARPin 63_B7 in complex with linear V3-crown (MN) peptide
分子名称: DARPin 63_B7, linear V3-crown (MN) peptide
著者Wu, Y, Plueckthun, A.
登録日2020-12-09
公開日2021-12-15
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.42 Å)
主引用文献Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7DNE
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BU of 7dne by Molmil
DARPin 5m3_D12 in complex with V3-IY (MN) crown mimetic
分子名称: DARPin 5m3_D12, V3-IY (MN) crown mimetic peptide
著者Wu, Y, Plueckthun, A.
登録日2020-12-09
公開日2021-12-22
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Distinct conformations of the HIV-1 V3 loop crown are targetable for broad neutralization.
Nat Commun, 12, 2021
7ALL
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BU of 7all by Molmil
A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT4683-S1_4)
分子名称: Arylsulfatase, CALCIUM ION, IODIDE ION, ...
著者Sofia de Jesus Vaz Luis, A, Martens, E.C, Basle, A, Cartmell, A.
登録日2020-10-06
公開日2021-10-13
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7AN1
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A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1636-S1_20)
分子名称: Arylsulfatase, CALCIUM ION, beta-D-galactopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose
著者Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
登録日2020-10-10
公開日2021-10-27
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7ANB
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A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20)
分子名称: 1,2-ETHANEDIOL, CALCIUM ION, N-acetylgalactosamine-6-sulfatase, ...
著者Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
登録日2020-10-11
公開日2021-10-27
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7ANA
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A single sulfatase is required for metabolism of colonic mucin O-glycans and intestinal colonization by a symbiotic human gut bacterium (BT1622-S1_20)
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-alpha-D-galactopyranose, 2-acetamido-2-deoxy-beta-D-galactopyranose, ...
著者Sofia de Jesus Vaz Luis, A, Basle, A, Martens, E.C, Cartmell, A.
登録日2020-10-11
公開日2021-11-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献A single sulfatase is required to access colonic mucin by a gut bacterium.
Nature, 598, 2021
7APD
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BU of 7apd by Molmil
Bovine Papillomavirus E1 DNA helicase-replication fork complex
分子名称: DNA (36-MER), DNA (40-MER), Replication protein E1
著者Javed, A, Major, B, Stead, J, Sanders, C.M, Orlova, E.V.
登録日2020-10-16
公開日2021-11-17
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.9 Å)
主引用文献Unwinding of a DNA replication fork by a hexameric viral helicase.
Nat Commun, 12, 2021
7E72
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BU of 7e72 by Molmil
Crystal structure of Tie2-agonistic antibody in complex with human Tie2 Fn2-3
分子名称: 1,2-ETHANEDIOL, Angiopoietin-1 receptor, the chimeric Fab fragment of 3H7 (heavy chain), ...
著者Kim, H.M, Jo, G.H, Hong, H.J, Han, A.
登録日2021-02-25
公開日2021-11-10
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.094 Å)
主引用文献Structural insights into the clustering and activation of Tie2 receptor mediated by Tie2 agonistic antibody.
Nat Commun, 12, 2021
7E9I
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Crystal structure of a class I PreQ1 riboswitch aptamer (wild-type) complexed with a cognate ligand-derived photoaffinity probe
分子名称: 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, 33-mer RNA, SULFATE ION
著者Numata, T, Schneekloth, J.S.
登録日2021-03-04
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献A chemical probe based on the PreQ 1 metabolite enables transcriptome-wide mapping of binding sites.
Nat Commun, 12, 2021
7E9E
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BU of 7e9e by Molmil
Crystal structure of a class I PreQ1 riboswitch aptamer (ab13-14) complexed with a cognate ligand-derived photoaffinity probe
分子名称: 2-azanyl-5-[[2-(3-but-3-ynyl-1,2-diazirin-3-yl)ethylamino]methyl]-1,7-dihydropyrrolo[2,3-d]pyrimidin-4-one, 33-mer RNA, MAGNESIUM ION, ...
著者Numata, T, Schneekloth, J.S.
登録日2021-03-04
公開日2021-11-17
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献A chemical probe based on the PreQ 1 metabolite enables transcriptome-wide mapping of binding sites.
Nat Commun, 12, 2021
7DJ1
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Crystal structure of the G26C mutant of LeuT
分子名称: LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION
著者Fan, J, Xiao, Y, Sun, Z, Zhou, X.
登録日2020-11-19
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.528 Å)
主引用文献Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
7DII
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BU of 7dii by Molmil
Crystal structure of LeuT in lipidic cubic phase at pH 7
分子名称: LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION
著者Fan, J, Xiao, Y, Sun, Z, Zhou, X.
登録日2020-11-19
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.403 Å)
主引用文献Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
7DIX
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BU of 7dix by Molmil
Crystal structure of LeuT in lipidic cubic phase at pH 5
分子名称: Na(+):neurotransmitter symporter (Snf family), SELENOMETHIONINE, SODIUM ION
著者Fan, J, Xiao, Y, Sun, Z, Zhou, X.
登録日2020-11-19
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (3.49 Å)
主引用文献Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
7DJ2
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Crystal structure of the G26C/E290S mutant of LeuT
分子名称: LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ...
著者Fan, J, Xiao, Y, Sun, Z, Zhou, X.
登録日2020-11-19
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
7DJC
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Crystal structure of the G26C/Q250A mutant of LeuT
分子名称: LEUCINE, Na(+):neurotransmitter symporter (Snf family), SODIUM ION, ...
著者Fan, J, Xiao, Y, Sun, Z, Zhou, X.
登録日2020-11-20
公開日2021-04-07
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Crystal structures of LeuT reveal conformational dynamics in the outward-facing states.
J.Biol.Chem., 296, 2021
4UM3
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BU of 4um3 by Molmil
Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3920
分子名称: 1-(6-bromopyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE BINDING PROTEIN, ...
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.703 Å)
主引用文献Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
4UM1
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Engineered Ls-AChBP with alpha4-alpha4 binding pocket in complex with NS3573
分子名称: 1-(5-ethoxypyridin-3-yl)-1,4-diazepane, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETYLCHOLINE-BINDING PROTEIN
著者Shahsavar, A, Kastrup, J.S, Balle, T, Gajhede, M.
登録日2014-05-14
公開日2015-07-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.83 Å)
主引用文献Achbp Engineered to Mimic the Alpha4-Alpha4 Binding Pocket in Alpha4Beta2 Nicotinic Acetylcholine Receptors Reveals Interface Specific Interactions Important for Binding and Activity
Mol.Pharmacol., 88, 2015
4UQ3
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BU of 4uq3 by Molmil
Crystal structure of HLA-A0201 in complex with an azobenzene- containing peptide
分子名称: AZOBENZENE-CONTAINING PEPTIDE, BETA-2-MICROGLOBULIN, HLA CLASS I HISTOCOMPATIBILITY ANTIGEN, ...
著者Thong, S.Y, Yap, J.W, Lim, P.Y, Verhelst, S.H, Lescar, J, Meijers, R, Grotenbreg, G.M.
登録日2014-06-19
公開日2014-09-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Bioorthogonal cleavage and exchange of major histocompatibility complex ligands by employing azobenzene-containing peptides.
Angew. Chem. Int. Ed. Engl., 53, 2014
4US2
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The crystal structure of H-Ras and SOS in complex with ligands
分子名称: 3-[(3R)-1-ethyl-2,5-dioxopyrrolidin-3-yl]benzamide, GTPASE HRAS, SON OF SEVENLESS HOMOLOG 1
著者Winter, J.J.G, Anderson, M, Blades, K, Brassington, C, Breeze, A.L, Chresta, C, Embrey, K, Fairley, G, Faulder, P, Finlay, M.R.V, Kettle, J.G, Nowak, T, Overman, R, Patel, S.J, Perkins, P, Spadola, L, Tart, J, Tucker, J, Wrigley, G.
登録日2014-07-02
公開日2015-03-04
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.48 Å)
主引用文献Small Molecule Binding Sites on the Ras:SOS Complex Can be Exploited for Inhibition of Ras Activation.
J.Med.Chem., 58, 2015
4V3A
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Membrane bound pleurotolysin prepore (TMH1 lock) trapped with engineered disulphide cross-link
分子名称: PLEUROTOLYSIN A, PLEUROTOLYSIN B
著者Lukoyanova, N, Kondos, S.C, Farabella, I, Law, R.H.P, Reboul, C.F, CaradocDavies, T.T, Spicer, B.A, Kleifeld, O, Perugini, M, Ekkel, S, Hatfaludi, T, Oliver, K, Hotze, E.M, Tweten, R.K, Whisstock, J.C, Topf, M, Dunstone, M.A, Saibil, H.R.
登録日2014-10-17
公開日2015-02-18
最終更新日2024-05-08
実験手法ELECTRON MICROSCOPY (15 Å)
主引用文献Conformational Changes During Pore Formation by the Perforin-Related Protein Pleurotolysin.
Plos Biol., 13, 2015

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