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4UMI
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BU of 4umi by Molmil
Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, native, F23 crystal form
分子名称: FIBER PROTEIN
著者Singh, A.K, van Raaij, M.J.
登録日2014-05-17
公開日2014-12-17
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.33 Å)
主引用文献Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1.
PLoS ONE, 9, 2014
4D0V
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BU of 4d0v by Molmil
Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, native, I213 crystal form
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FIBER PROTEIN, SULFATE ION
著者Singh, A.K, van Raaij, M.J.
登録日2014-04-30
公開日2014-12-17
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1.
PLoS ONE, 9, 2014
4D1F
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BU of 4d1f by Molmil
Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, native, first P212121 crystal form
分子名称: FIBER PROTEIN, GLYCEROL
著者Singh, A.K, van Raaij, M.J.
登録日2014-05-01
公開日2014-12-17
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1.
PLoS ONE, 9, 2014
4CUB
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BU of 4cub by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA
分子名称: 1,2-ETHANEDIOL, BETA-GALACTOSIDASE, CALCIUM ION, ...
著者Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
登録日2014-03-17
公開日2014-08-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, Bgaa.
Plos Pathog., 10, 2014
4CUC
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BU of 4cuc by Molmil
Unravelling the multiple functions of the architecturally intricate Streptococcus pneumoniae beta-galactosidase, BgaA.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, BETA-GALACTOSIDASE, SULFATE ION, ...
著者Singh, A.K, Pluvinage, B, Higgins, M.A, Dalia, A.B, Flynn, M, Lloyd, A.R, Weiser, J.N, Stubbs, K.A, Boraston, A.B, King, S.J.
登録日2014-03-17
公開日2014-08-20
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Unravelling the Multiple Functions of the Architecturally Intricate Streptococcus Pneumoniae Beta-Galactosidase, BgaA.
Plos Pathog., 10, 2014
4D62
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BU of 4d62 by Molmil
Structure of the carboxy-terminal domain of the turkey type 3 siadenovirus fibre, avirulent form complexed with 3-sialyllactose.
分子名称: FIBER KNOB DOMAIN, N-acetyl-alpha-neuraminic acid
著者Singh, A.K, van Raaij, M.J.
登録日2014-11-08
公開日2015-10-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Structure and Sialyllactose Binding of the Carboxy-Terminal Head Domain of the Fibre from a Siadenovirus, Turkey Adenovirus 3.
PLoS ONE, 10, 2015
4CW8
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BU of 4cw8 by Molmil
Structure of the carboxy-terminal domain of the turkey type 3 siadenovirus fibre, virulent form
分子名称: FIBER KNOB DOMAIN, PHOSPHATE ION
著者Singh, A.K, van Raaij, M.J.
登録日2014-04-01
公開日2015-04-08
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure and Sialyllactose Binding of the Carboxy-Terminal Head Domain of the Fibre from a Siadenovirus, Turkey Adenovirus 3.
PLoS ONE, 10, 2015
5WO6
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BU of 5wo6 by Molmil
Crystal Structure of Transient Receptor Potential (TRP) channel TRPV6cryst
分子名称: 6-(5-METHYL-2-OXO-IMIDAZOLIDIN-4-YL)-HEXANOIC ACID, CALCIUM ION, Transient receptor potential cation channel subfamily V member 6
著者Singh, A.K, Saotome, K, Sobolevsky, A.I.
登録日2017-08-01
公開日2017-09-13
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (3.31 Å)
主引用文献Swapping of transmembrane domains in the epithelial calcium channel TRPV6.
Sci Rep, 7, 2017
3KRQ
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BU of 3krq by Molmil
Crystal structure of the complex of lactoperoxidase with a potent inhibitor amino-triazole at 2.2a resolution
分子名称: (4R)-2-METHYLPENTANE-2,4-DIOL, 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 3-AMINO-1,2,4-TRIAZOLE, ...
著者Singh, A.K, Singh, N, Sinha, M, Kushwaha, G.S, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2009-11-19
公開日2010-05-26
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.25 Å)
主引用文献First structural evidence for the mode of diffusion of aromatic ligands and ligand-induced closure of the hydrophobic channel in heme peroxidases
J.Biol.Inorg.Chem., 15, 2010
3BXI
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BU of 3bxi by Molmil
Structure of the complex of bovine lactoperoxidase with its catalyzed product hypothiocyanate ion at 2.3A resolution
分子名称: 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
著者Singh, A.K, Singh, N, Sharma, S, Shin, K, Takase, M, Kaur, P, Srinivasan, A, Singh, T.P.
登録日2008-01-14
公開日2008-03-25
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Inhibition of lactoperoxidase by its own catalytic product: crystal structure of the hypothiocyanate-inhibited bovine lactoperoxidase at 2.3-A resolution.
Biophys.J., 96, 2009
6IAG
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BU of 6iag by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-637
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2018-11-26
公開日2019-12-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-637
To be published
6IBF
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BU of 6ibf by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-417
分子名称: (4~{a}~{S},8~{a}~{R})-4-[4-methoxy-3-[[2-(trifluoromethyl)phenyl]methoxy]phenyl]-2-(1-thieno[3,2-d]pyrimidin-4-ylpiperidin-4-yl)-4~{a},5,8,8~{a}-tetrahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Brown, D.G.
登録日2018-11-29
公開日2019-12-18
最終更新日2024-05-15
実験手法X-RAY DIFFRACTION (2.31 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-417
To be published
4LI3
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BU of 4li3 by Molmil
Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with high affinity inhibitory peptide from Serine acetyl transferase of Salmonella typhimurium
分子名称: Cysteine synthase, GLYCEROL, Serine acetyltransferase
著者Singh, A.K, Ekka, M.K, Kaushik, A, Kumaran, S.
登録日2013-07-02
公開日2014-07-09
最終更新日2023-12-06
実験手法X-RAY DIFFRACTION (2.592 Å)
主引用文献Crystal Structure of O-Acetylserine Sulfhydrylase from Haemophilus influenzae in complex with high affinity inhibitory peptide from Serine acetyl transferase of Salmonella typhimurium
To be Published
7P15
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BU of 7p15 by Molmil
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with fragment F04 at the transient P-pocket
分子名称: (1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide, DNA (37-MER), Reverse transcriptase/ribonuclease H
著者Singh, A.K, Das, K.
登録日2021-07-01
公開日2021-12-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.58 Å)
主引用文献Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
7OZW
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BU of 7ozw by Molmil
Cryo-EM structure of HIV-1 reverse transcriptase with a DNA aptamer in complex with fragment 166 at the transient P-pocket
分子名称: (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide, DNA (37-MER), Reverse transcriptase/ribonuclease H
著者Singh, A.K, Das, K.
登録日2021-06-28
公開日2021-12-08
最終更新日2024-07-17
実験手法ELECTRON MICROSCOPY (3.38 Å)
主引用文献Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
4D0U
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BU of 4d0u by Molmil
Crystal structure of the fiber head domain of the Atadenovirus snake adenovirus 1, selenomethionine-derivative
分子名称: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FIBER PROTEIN, SULFATE ION
著者Singh, A.K, van Raaij, M.J.
登録日2014-04-30
公開日2014-12-17
最終更新日2018-12-19
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1.
PLoS ONE, 9, 2014
7A2F
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BU of 7a2f by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656
分子名称: 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, FORMIC ACID, GLYCEROL, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-08-17
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-656
To be published
7A28
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BU of 7a28 by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617
分子名称: 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-08-16
公開日2021-08-25
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617
To be published
7ABD
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BU of 7abd by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-768
分子名称: 1,2-ETHANEDIOL, 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-07
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.41 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-768
To be published
7A8Q
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BU of 7a8q by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-654
分子名称: 1,2-ETHANEDIOL, 2-cycloheptyl-5-[4-methoxy-3-[[4-(1~{H}-1,2,3,4-tetrazol-5-yl)phenyl]methoxy]phenyl]-4,4-dimethyl-pyrazolidin-3-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-08-30
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-654
To be published
7A9V
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BU of 7a9v by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-635
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-[4-methoxy-3-(2-phenylethoxy)phenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-02
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.17 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-635
To be published
7AB9
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BU of 7ab9 by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-656
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-07
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-656
To be published
7ABJ
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BU of 7abj by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-1361
分子名称: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-07
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-1361
To be published
7AAG
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BU of 7aag by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-617
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-(4-methoxy-3-{4-[4-(1H-1,2,3,4-tetrazol-5-yl)phenoxy]butoxy}phenyl)-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-04
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-617
To be published
7ABE
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BU of 7abe by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-769
分子名称: 1,2-ETHANEDIOL, 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
著者Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
登録日2020-09-07
公開日2021-10-06
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献hPDE4D2 structure with inhibitor NPD-769
To be published

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