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3L4T
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BU of 3l4t by Molmil
Crystal complex of N-terminal Human Maltase-Glucoamylase with BJ2661
分子名称: (1R,2S)-1-[(1S)-1,2-dihydroxyethyl]-3-[(2R,3S,4S)-3,4-dihydroxy-2-(hydroxymethyl)tetrahydrothiophenium-1-yl]-2-hydroxypropyl sulfate, 2-acetamido-2-deoxy-beta-D-glucopyranose, Maltase-glucoamylase, ...
著者Sim, L, Rose, D.R.
登録日2009-12-21
公開日2010-02-09
最終更新日2020-07-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献New glucosidase inhibitors from an ayurvedic herbal treatment for type 2 diabetes: structures and inhibition of human intestinal maltase-glucoamylase with compounds from Salacia reticulata.
Biochemistry, 49, 2010
4ZX5
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BU of 4zx5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10q
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW5
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BU of 4zw5 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9f
分子名称: M1 family aminopeptidase, MAGNESIUM ION, ZINC ION, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZW6
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BU of 4zw6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9q
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
7X2H
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BU of 7x2h by Molmil
Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with 6-2C Fab
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 6-2C H chain, 6-2C L chain, ...
著者Wang, X, Wang, Z.
登録日2022-02-25
公開日2023-03-01
最終更新日2023-08-23
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
7XD2
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BU of 7xd2 by Molmil
SARS-CoV-2 S ectodomain trimer in complex with neutralizing antibody 10-5B
分子名称: H chain of antibody 10-5B, L chian of antibody 10-5B, Spike glycoprotein
著者Wang, X, Wang, Z.
登録日2022-03-26
公開日2023-07-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Inactivated vaccine-elicited potent antibodies can broadly neutralize SARS-CoV-2 circulating variants.
Nat Commun, 14, 2023
3G9N
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BU of 3g9n by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-phenylindolin-2-one
分子名称: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-phenyl-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Jacobs, M.D.
登録日2009-02-13
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
7Z4V
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BU of 7z4v by Molmil
Structure of Serine-Threonine kinase STK25 in complex with compound
分子名称: 1,2-ETHANEDIOL, Serine/threonine-protein kinase 25, ~{N}-(5-~{tert}-butyl-1~{H}-pyrazol-3-yl)-4-pyrrolidin-1-ylsulfonyl-benzamide
著者Nawrotek, A, Vuillard, L, Miallau, L.
登録日2022-03-04
公開日2022-04-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.644 Å)
主引用文献Targeting non-alcoholic fatty liver disease: Design, X-ray co-crystal structure and synthesis of 'first-in-kind' inhibitors of serine/threonine kinase25.
Bioorg.Med.Chem.Lett., 75, 2022
8SW4
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BU of 8sw4 by Molmil
BG505 GT1.1 SOSIP in complex with NHP Fabs 21N13, 21M20 and RM20A3
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, 21M20 heavy chain variable region, ...
著者Ozorowski, G, Torres, J.L, Zhang, S, Ward, A.B.
登録日2023-05-17
公開日2024-05-29
実験手法ELECTRON MICROSCOPY (2.85 Å)
主引用文献Neutralizing antibodies induced in non-human primates by germline targeting Env trimer
To Be Published
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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BU of 7dng by Molmil
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
3G9L
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BU of 3g9l by Molmil
JNK3 bound to (Z)-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)-4-styrylindolin-2-one
分子名称: (3Z)-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4-[(E)-2-phenylethenyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Jacobs, M.D.
登録日2009-02-13
公開日2009-04-28
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
4F9N
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BU of 4f9n by Molmil
Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-7-methyl-1,7-dihydro-6H-purin-6-one, Ribosome inactivating protein
著者Yamini, S, Kushwaha, G.S, Bhushan, A, Sinha, M, Kaur, P, Sharma, S, Singh, T.P.
登録日2012-05-19
公開日2012-06-20
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.65 Å)
主引用文献Crystal structure of the complex of type I Ribosome inactivating protein from Momordica balsamina with N7-methylated guanine at 2.65 A resolution
To be Published
4LA3
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BU of 4la3 by Molmil
Crystal structure of dimethylsulphoniopropionate (DMSP) lyase DddQ Y131A in complex with DMSP
分子名称: 3-(dimethyl-lambda~4~-sulfanyl)propanoic acid, Dimethylsulphoniopropionate (DMSP) lyase DddQ, ZINC ION
著者Zhang, Y, Li, C.
登録日2013-06-19
公開日2014-01-15
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.701 Å)
主引用文献Molecular insight into bacterial cleavage of oceanic dimethylsulfoniopropionate into dimethyl sulfide
Proc.Natl.Acad.Sci.USA, 111, 2014
6LD2
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BU of 6ld2 by Molmil
Zika NS5 polymerase domain
分子名称: (1S,2S,4S,5R)-2,4-dimethoxy-5-thiophen-2-yl-cyclohexane-1-carboxylic acid, RNA-directed RNA polymerase NS5, ZINC ION
著者El Sahili, A, Lescar, J.
登録日2019-11-20
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
1CYJ
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BU of 1cyj by Molmil
CYTOCHROME C6
分子名称: CADMIUM ION, CYTOCHROME C6, HEME C
著者Kerfeld, C.A, Yeates, T.O.
登録日1995-05-09
公開日1996-01-29
最終更新日2021-03-10
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献The structure of chloroplast cytochrome c6 at 1.9 A resolution: evidence for functional oligomerization.
J.Mol.Biol., 250, 1995
3G90
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BU of 3g90 by Molmil
JNK-3 bound to (Z)-5-fluoro-1-((6-fluoro-4H-benzo[d][1,3]dioxin-8-yl)methyl)-3-(hydroxyimino)indolin-2-one
分子名称: (3E)-5-fluoro-1-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-1H-indole-2,3-dione 3-oxime, Mitogen-activated protein kinase 10
著者Xie, X, Jacobs, M.D.
登録日2009-02-12
公開日2009-02-24
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design and parallel synthesis of N-benzyl isatin oximes as JNK3 MAP kinase inhibitors.
Bioorg.Med.Chem.Lett., 19, 2009
3G5O
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BU of 3g5o by Molmil
The crystal structure of the toxin-antitoxin complex RelBE2 (Rv2865-2866) from Mycobacterium tuberculosis
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, CHLORIDE ION, GLYCEROL, ...
著者Miallau, L, Cascio, D, Eisenberg, D, TB Structural Genomics Consortium (TBSGC), Integrated Center for Structure and Function Innovation (ISFI)
登録日2009-02-05
公開日2009-04-14
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Comparative proteomics identifies the cell-associated lethality of M. tuberculosis RelBE-like toxin-antitoxin complexes.
Structure, 21, 2013
6LD1
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BU of 6ld1 by Molmil
Zika NS5 polymerase domain
分子名称: 1,2-ETHANEDIOL, RNA-directed RNA polymerase NS5, ZINC ION
著者El Sahili, A, Lescar, J.
登録日2019-11-20
公開日2020-08-12
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
4ZX6
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BU of 4zx6 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 10s
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-20
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY2
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BU of 4zy2 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10o
分子名称: CARBONATE ION, DIMETHYL SULFOXIDE, N-[(1R)-2-(hydroxyamino)-2-oxo-1-(3',4',5'-trifluorobiphenyl-4-yl)ethyl]-2,2-dimethylpropanamide, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-21
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
6LD5
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BU of 6ld5 by Molmil
Zika NS5 polymerase domain
分子名称: 2,4-dimethoxy-5-thiophen-2-yl-benzoic acid, RNA-directed RNA polymerase NS5, ZINC ION, ...
著者El Sahili, A, Lescar, J.
登録日2019-11-20
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (1.94 Å)
主引用文献Non-nucleoside Inhibitors of Zika Virus RNA-Dependent RNA Polymerase.
J.Virol., 94, 2020
4ZW8
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BU of 4zw8 by Molmil
X-ray crystal structure of PfA-M1 in complex with hydroxamic acid-based inhibitor 9r
分子名称: DIMETHYL SULFOXIDE, GLYCEROL, M1 family aminopeptidase, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-19
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016
4ZY0
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BU of 4zy0 by Molmil
X-ray crystal structure of PfA-M17 in complex with hydroxamic acid-based inhibitor 10q
分子名称: CARBONATE ION, GLYCEROL, N-{(1R)-2-(hydroxyamino)-2-oxo-1-[4-(thiophen-3-yl)phenyl]ethyl}-2,2-dimethylpropanamide, ...
著者Drinkwater, N, McGowan, S.
登録日2015-05-21
公開日2016-03-30
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Potent dual inhibitors of Plasmodium falciparum M1 and M17 aminopeptidases through optimization of S1 pocket interactions.
Eur.J.Med.Chem., 110, 2016

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