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7AB9
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BU of 7ab9 by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-656
Descriptor: 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, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-09-07
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.19 Å)
Cite:hPDE4D2 structure with inhibitor NPD-656
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
Descriptor: 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, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-08-30
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:hPDE4D2 structure with inhibitor NPD-654
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
Descriptor: 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, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-09-07
Release date:2021-10-06
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.11 Å)
Cite:hPDE4D2 structure with inhibitor NPD-1361
To be published
4G1P
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BU of 4g1p by Molmil
Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccharomyces cerevisiae
Descriptor: CYSTEINE, Cys-Gly metallodipeptidase DUG1, GLYCINE, ...
Authors:Singh, A.K, Singh, M, Pandya, V.K, Singh, V, Mittal, M, Kumaran, S.
Deposit date:2012-07-11
Release date:2013-07-17
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.547 Å)
Cite:Structural and Mechanistic Basis of Substrate Recognition by Novel Di-peptidase Dug1p From Saccromyces cerevesiae
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
Descriptor: 1-(OXIDOSULFANYL)METHANAMINE, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Kaur, P, Singh, N, Bhushan, A, Sharma, S, Singh, T.P.
Deposit date:2006-11-01
Release date:2006-11-21
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.95 Å)
Cite: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
Descriptor: 4,4'-(AMINOMETHYLENE)BIS(N,N-DIMETHYLANILINE), CALCIUM ION, NITRATE ION, ...
Authors:Singh, A.K, Singh, N, Sinha, M, Sharma, S, Bhushan, A, Kaur, P, Singh, T.P.
Deposit date:2007-05-17
Release date:2007-07-03
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of the complex of Proteinase K with auramine at 1.8A resolution
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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Lactoperoxidase, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Kaur, P, Betzel, C, Singh, T.P.
Deposit date:2007-05-08
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.34 Å)
Cite: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
Descriptor: CALCIUM ION, COUMARIN, NITRATE ION, ...
Authors:Singh, A.K, Singh, N, Sinha, M, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-05-11
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the complex of proteinase K with coumarin at 1.9A 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
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CATECHOL, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-05-09
Release date:2007-05-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.7 Å)
Cite: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
Descriptor: 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
Authors:Singh, A.K, Jain, R, Sinha, M, Kumar, A, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-06-27
Release date:2007-07-10
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the complex of Buffalo Secretory Glycoprotein with Tetrasaccharide at 2.8A resolution
To be Published
2QQT
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BU of 2qqt by Molmil
Crystal structure of the complex of bovine lactoperoxidase with acetyl salicylic acid at 2.5 A resolution
Descriptor: 2-(ACETYLOXY)BENZOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-07-27
Release date:2007-08-07
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of the complex of bovine lactoperoxidase with acetyl salicylic acid at 2.5 A resolution
To be Published
2QRB
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BU of 2qrb by Molmil
Crystal structure of chloride saturated bovine lactoperoxidase at 2.5 A resolution shows multiple halide binding sites
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, CHLORIDE ION, ...
Authors:Singh, A.K, Singh, N, Sharma, S, Kaur, P, Singh, T.P.
Deposit date:2007-07-28
Release date:2007-08-14
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structure of chloride saturated bovine lactoperoxidase at 2.5 A resolution shows multiple halide binding sites
To be Published
6PVQ
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BU of 6pvq by Molmil
Cryo-EM structure of mouse TRPV3-Y564A in intermediate state at 37 degrees Celsius
Descriptor: Transient receptor potential cation channel subfamily V member 3
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2019-07-21
Release date:2019-10-23
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.75 Å)
Cite:Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
6PVL
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BU of 6pvl by Molmil
Cryo-EM structure of mouse TRPV3 in closed state at 42 degrees Celsius
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 3
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2019-07-21
Release date:2019-10-23
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.4 Å)
Cite:Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
6PVN
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BU of 6pvn by Molmil
Cryo-EM structure of mouse TRPV3-Y564A in putative sensitized state at 4 degrees Celsius
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 3
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2019-07-21
Release date:2019-10-23
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.07 Å)
Cite:Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
6PVM
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BU of 6pvm by Molmil
Cryo-EM structure of mouse TRPV3 in putative sensitized state at 42 degrees Celsius
Descriptor: SODIUM ION, Transient receptor potential cation channel subfamily V member 3
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2019-07-21
Release date:2019-10-23
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (4.5 Å)
Cite:Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
6PVO
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BU of 6pvo by Molmil
Cryo-EM structure of mouse TRPV3-Y564A in putative sensitized state at 37 degrees Celsius
Descriptor: Transient receptor potential cation channel subfamily V member 3
Authors:Singh, A.K, McGoldrick, L.L, Sobolevsky, A.I.
Deposit date:2019-07-21
Release date:2019-10-23
Last modified:2024-03-20
Method:ELECTRON MICROSCOPY (5.18 Å)
Cite:Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
6QGU
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BU of 6qgu by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361
Descriptor: 5-(3-(cyclopentyloxy)-4-methoxyphenyl)-2-isopropyl-4,4-dimethyl-2,4-dihydro-3H-pyrazol-3-one, FORMIC ACID, GLYCEROL, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2019-01-13
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-1361
To be published
4G12
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BU of 4g12 by Molmil
Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis
Descriptor: GLYCEROL, Probable transcriptional regulatory protein (Probably TETR-FAMILY)
Authors:Singh, A.K, Manjasetty, B.A, Singh, V, Mittal, M, Kumaran, S.
Deposit date:2012-07-10
Release date:2013-07-10
Last modified:2014-10-15
Method:X-RAY DIFFRACTION (3.44 Å)
Cite:Crystal structure of putative TetR family transcriptional regulator, Fad35R, from Mycobacterium tuberculosis
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
Descriptor: (1~{R},2~{R})-~{N}-(1~{H}-pyrazol-4-yl)-2-pyridin-3-yl-cyclopropane-1-carboxamide, DNA (37-MER), Reverse transcriptase/ribonuclease H
Authors:Singh, A.K, Das, K.
Deposit date:2021-07-01
Release date:2021-12-08
Last modified:2021-12-22
Method:ELECTRON MICROSCOPY (3.58 Å)
Cite:Sliding of HIV-1 reverse transcriptase over DNA creates a transient P pocket - targeting P-pocket by fragment screening.
Nat Commun, 12, 2021
5NBH
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BU of 5nbh by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre, P212121 native
Descriptor: Fiber, GLYCEROL
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2017-03-01
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
5NC1
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BU of 5nc1 by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre bound to N-acetyl-glucosamine
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Fiber, GLYCEROL, ...
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2017-03-03
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
5N8D
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BU of 5n8d by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre, P21 native
Descriptor: CHLORIDE ION, Fiber, GLYCEROL
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2017-02-23
Release date:2018-03-14
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
5N83
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BU of 5n83 by Molmil
Structure of the distal domain of mouse adenovirus 2 fibre, methylmercury chloride derivative
Descriptor: Fiber, MERCURY (II) ION
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2017-02-22
Release date:2018-03-14
Last modified:2018-11-14
Method:X-RAY DIFFRACTION (2.76 Å)
Cite:Structure and N-acetylglucosamine binding of the distal domain of mouse adenovirus 2 fibre.
J. Gen. Virol., 99, 2018
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
Descriptor: 3,6,9,12,15,18,21-HEPTAOXATRICOSANE-1,23-DIOL, FIBER PROTEIN, SULFATE ION
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2014-04-30
Release date:2014-12-17
Last modified:2018-12-19
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of the fibre head domain of the Atadenovirus Snake Adenovirus 1.
PLoS ONE, 9, 2014

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