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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2021-12-22
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
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2021-12-22
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
4G12
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BU of 4g12 by Molmil
Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis
分子名称: GLYCEROL, Probable transcriptional regulatory protein (Probably TETR-FAMILY)
著者Singh, A.K, Manjasetty, B.A, Singh, V, Mittal, M, Kumaran, S.
登録日2012-07-10
公開日2013-07-10
最終更新日2014-10-15
実験手法X-RAY DIFFRACTION (3.44 Å)
主引用文献Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis
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
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
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
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
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
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
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
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
2OJV
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BU of 2ojv by Molmil
Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CARBONATE ION, ...
著者Singh, A.K, Singh, N, Singh, S.B, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-01-15
公開日2007-01-30
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal structure of a ternary complex of goat lactoperoxidase with cyanide and iodide ions at 2.4 A resolution
To be Published
7WIM
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BU of 7wim by Molmil
Crystal structure of Arabidopsis thaliana FKBP43 N-terminal domain
分子名称: Peptidyl-prolyl cis-trans isomerase FKBP43
著者Singh, A.K, Saharan, K, Baral, S, Vasudevan, D.
登録日2022-01-03
公開日2022-09-21
最終更新日2023-11-29
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献The plant nucleoplasmin AtFKBP43 needs its extended arms for histone interaction.
Biochim Biophys Acta Gene Regul Mech, 1865, 2022
3GC1
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BU of 3gc1 by Molmil
Crystal structure of bovine lactoperoxidase
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
著者Singh, A.K, Singh, N, Sinha, M, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2009-02-21
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Mode of binding of the tuberculosis prodrug isoniazid to heme peroxidases: binding studies and crystal structure of bovine lactoperoxidase with isoniazid at 2.7 A resolution.
J.Biol.Chem., 285, 2010
3GCL
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BU of 3gcl by Molmil
Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
分子名称: 2-(ACETYLOXY)BENZOIC ACID, 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, Sinha, M, Bhushan, A, Kaur, P, Sharma, S, Singh, T.P.
登録日2009-02-22
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Binding modes of aromatic ligands to mammalian heme peroxidases with associated functional implications: crystal structures of lactoperoxidase complexes with acetylsalicylic acid, salicylhydroxamic acid, and benzylhydroxamic acid
J.Biol.Chem., 284, 2009
3GCJ
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BU of 3gcj by Molmil
Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, IODIDE ION, ...
著者Singh, A.K, Singh, N, Sinha, M, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2009-02-22
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
To be Published
3GCK
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BU of 3gck by Molmil
Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, BENZHYDROXAMIC ACID, CALCIUM ION, ...
著者Singh, A.K, Singh, N, Sinha, M, Bhushan, A, Kaur, P, Srinivasan, A, Sharma, S, Singh, T.P.
登録日2009-02-22
公開日2009-03-31
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Mode of ligand binding and assignment of subsites in mammalian peroxidases: crystal structure of lactoperoxidase complexes with acetyl salycylic acid, salicylhydroxamic acid and benzylhydroxamic acid
To be Published
2PT3
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BU of 2pt3 by Molmil
Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ...
著者Singh, A.K, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P.
登録日2007-05-08
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.34 Å)
主引用文献Crystal structure of bovine lactoperoxidase at 2.34 A resolution reveals multiple anion binding sites
To be Published
2PWB
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BU of 2pwb by Molmil
Crystal structure of the complex of proteinase K with coumarin at 1.9 A resolution
分子名称: CALCIUM ION, COUMARIN, NITRATE ION, ...
著者Singh, A.K, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-05-11
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal structure of the complex of proteinase K with coumarin at 1.9A resolution
To be Published
2NQX
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BU of 2nqx by Molmil
Crystal Structure of bovine lactoperoxidase with iodide ions at 2.9A 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, Kaur, P, Singh, N, Bhushan, A, Sharma, S, Singh, T.P.
登録日2006-11-01
公開日2006-11-21
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.95 Å)
主引用文献Crystal Structure of bovine lactoperoxidase with iodide ions at 2.9A resolution
To be Published
2PYZ
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BU of 2pyz by Molmil
Crystal structure of the complex of proteinase K with auramine at 1.8A resolution
分子名称: 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE), CALCIUM ION, NITRATE ION, ...
著者Singh, A.K, Singh, N, Sinha, M, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P.
登録日2007-05-17
公開日2007-07-03
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of the complex of Proteinase K with auramine at 1.8A resolution
To be Published
2PUM
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BU of 2pum by Molmil
Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CATECHOL, ...
著者Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-05-09
公開日2007-05-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of bovine lactoperoxidase complex with catechol and iodide at 2.7 A resolution
To be Published
2QF8
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BU of 2qf8 by Molmil
Crystal structure of the complex of Buffalo Secretory Glycoprotein with tetrasaccharide at 2.8A resolution
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-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Chitinase-3-like protein 1
著者Singh, A.K, Jain, R, Sinha, M, Kumar, A, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
登録日2007-06-27
公開日2007-07-10
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Crystal structure of the complex of Buffalo Secretory Glycoprotein with Tetrasaccharide at 2.8A resolution
To be Published
5NBH
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BU of 5nbh by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre, P212121 native
分子名称: Fiber, GLYCEROL
著者Singh, A.K, van Raaij, M.J.
登録日2017-03-01
公開日2018-03-14
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018

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