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8YYI
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BU of 8yyi by Molmil
RNase J2 mutant E166A
Descriptor: DI(HYDROXYETHYL)ETHER, Ribonuclease J 2
Authors:Singh, A.K, Chinnasamy, K, Gopal, B.
Deposit date:2024-04-03
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:A physicochemical rationale for the varied catalytic efficiency in RNase J paralogues.
J.Biol.Chem., 301, 2024
8YYF
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BU of 8yyf by Molmil
RNase J2 mutant H76A
Descriptor: Ribonuclease J 2
Authors:Singh, A.K, Chinnasamy, K, Gopal, B.
Deposit date:2024-04-03
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.39 Å)
Cite:A physicochemical rationale for the varied catalytic efficiency in RNase J paralogues.
J.Biol.Chem., 301, 2024
8YYH
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BU of 8yyh by Molmil
RNase J2 mutant H144A
Descriptor: Ribonuclease J 2
Authors:Singh, A.K, Chinnasamy, K, Gopal, B.
Deposit date:2024-04-03
Release date:2025-02-12
Method:X-RAY DIFFRACTION (1.12 Å)
Cite:A physicochemical rationale for the varied catalytic efficiency in RNase J paralogues.
J.Biol.Chem., 301, 2024
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
Descriptor: FIBER PROTEIN
Authors:Singh, A.K, van Raaij, M.J.
Deposit date:2014-05-17
Release date:2014-12-17
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.33 Å)
Cite: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
Descriptor: 1-cycloheptyl-3-{4-methoxy-3-[2-(4-methoxyphenyl)ethoxy]phenyl}-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-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:2020-08-17
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: 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, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2020-08-16
Release date:2021-08-25
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-617
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:2024-11-13
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
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
Descriptor: (1~{R},2~{R})-2-phenyl-~{N}-(1,3-thiazol-2-yl)cyclopropane-1-carboxamide, DNA (37-MER), Reverse transcriptase/ribonuclease H
Authors:Singh, A.K, Das, K.
Deposit date:2021-06-28
Release date:2021-12-08
Last modified:2024-11-13
Method:ELECTRON MICROSCOPY (3.38 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:2024-05-08
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
6FRD
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BU of 6frd by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637
Descriptor: 1-cycloheptyl-3-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-4,4-dimethyl-4,5-dihydro- 1H-pyrazol-5-one, FORMIC ACID, GUANIDINE, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-02-15
Release date:2019-03-13
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-637
To be published
6FT0
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BU of 6ft0 by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-425
Descriptor: 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-{4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl}-2-(1-{thieno[3,2-d]pyrimidin-4-yl}piperidin-4-yl)-1,2,4a,5,8,8a-hexahydrophthalazin-1-one, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-02-20
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:hPDE4D2 structure with inhibitor NPD-425
To be published
6FTA
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BU of 6fta by Molmil
Crystal structure of human phosphodiesterase 4D2 catalytic domain with inhibitor NPD-3098
Descriptor: (4~{a}~{S},8~{a}~{S})-4-[4-methoxy-3-[(2-methoxyphenyl)methoxy]phenyl]-2-[1-(3-nitroimidazo[1,2-b]pyridazin-6-yl)piperidin-4-yl]-4~{a},5,6,7,8,8~{a}-hexahydrophthalazin-1-one, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ...
Authors:Singh, A.K, Brown, D.G.
Deposit date:2018-02-20
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (2.34 Å)
Cite:hPDE4D2 structure with inhibitor NPD-3098
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
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
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
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
6PVP
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BU of 6pvp by Molmil
Cryo-EM structure of mouse TRPV3-Y564A in open state at 37 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 (4.48 Å)
Cite:Structural basis of temperature sensation by the TRP channel TRPV3.
Nat.Struct.Mol.Biol., 26, 2019
6QGP
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BU of 6qgp by Molmil
Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769
Descriptor: 1-cycloheptyl-3-[3-(cyclopentyloxy)-4-methoxyphenyl]-4,4-dimethyl-4,5-dihydro-1H-pyrazol-5-one, DI(HYDROXYETHYL)ETHER, FORMIC ACID, ...
Authors:Singh, A.K, Blaazer, A.R, Zara, L, de Esch, I.J.P, Leurs, R, Brown, D.G.
Deposit date:2019-01-12
Release date:2020-02-05
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.942 Å)
Cite:Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-0769
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
Descriptor: 1,2-ETHANEDIOL, 3-(3-cyclopentyloxy-4-methoxy-phenyl)-4,4-dimethyl-1~{H}-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 (2.41 Å)
Cite: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
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

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