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7AJN
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BU of 7ajn by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N}-(1-adamantylmethyl)-2-[(7~{R},9~{S})-7-(4-chlorophenyl)-4,5,13-trimethyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.0^{2,6}]trideca-2(6),4,10,12-tetraen-9-yl]ethanamide
Authors:Picaud, S, Hassel-Hart, S, Tobias, K, Spencer, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P.
Deposit date:2020-09-29
Release date:2020-12-02
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with a BzD ligand
To Be Published
6SE4
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BU of 6se4 by Molmil
Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor
Descriptor: (+)-JD1, 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ...
Authors:Krojer, T, Hassell-Hart, S, Picaud, S, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Filippakopoulos, P, Spencer, J, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2019-07-29
Release date:2019-08-14
Last modified:2024-01-24
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Crystal Structure of the first bromodomain of human BRD4 in complex with (+)-JD1, an Organometallic BET Bromodomain Inhibitor
To Be Published
8BW4
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BU of 8bw4 by Molmil
PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: (2R)-4-(3-fluoranylthiophen-2-yl)carbonyl-N-(4-methoxyphenyl)-2-methyl-piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2022-12-06
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
To Be Published
8BW3
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BU of 8bw3 by Molmil
PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: (2S)-N-(cyclopropylmethyl)-2-methyl-4-(1-methyl-1H-pyrrole-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2022-12-06
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
To Be Published
8BW2
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BU of 8bw2 by Molmil
PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: (2R)-N-(2-methoxyethyl)-2-methyl-4-thiophen-2-ylcarbonyl-piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassell-Hart, S, Bradshaw, W.J, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2022-12-06
Release date:2022-12-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:PanDDA analysis -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
To Be Published
4D3S
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BU of 4d3s by Molmil
Imine reductase from Nocardiopsis halophila
Descriptor: IMINE REDUCTASE, octyl beta-D-glucopyranoside
Authors:Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
Deposit date:2014-10-23
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (2.24 Å)
Cite:Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
4D3F
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BU of 4d3f by Molmil
BcSIRED from Bacillus cereus in complex with NADPH
Descriptor: IMINE REDUCTASE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
Deposit date:2014-10-21
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
4D3D
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BU of 4d3d by Molmil
Structure of Imine Reductase BcSIRED from Bacillus cereus BAG3X2
Descriptor: IMINE REDUCTASE, MAGNESIUM ION, O-ACETALDEHYDYL-HEXAETHYLENE GLYCOL
Authors:Man, H, Hart, S, Turkenburg, J.P, Grogan, G.
Deposit date:2014-10-21
Release date:2015-04-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structure, Activity and Stereoselectivity of Nadph-Dependent Oxidoreductases Catalysing the S-Selective Reduction of the Imine Substrate 2-Methylpyrroline.
Chembiochem, 16, 2015
5S8R
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BU of 5s8r by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: N-butyl-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S9J
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BU of 5s9j by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material
Descriptor: 2-azanyl-3-methyl-benzoic acid, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S8S
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BU of 5s8s by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: N-(2-fluoro-4-methoxyphenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S8Z
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BU of 5s8z by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: N-[(3,4-dihydro-2H-1lambda~4~-thiophen-5-yl)methyl]-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.25 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S8V
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BU of 5s8v by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: 4-(furan-2-carbonyl)-N-(propan-2-yl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.18 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S8W
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BU of 5s8w by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: N-(2,4-difluorophenyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S8T
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BU of 5s8t by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: N-(1,3-benzoxazol-2-yl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.22 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S8Y
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BU of 5s8y by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: N-(cyclopropylmethyl)-4-(furan-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.24 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S95
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BU of 5s95 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: 4-(5-chlorofuran-2-carbonyl)-N-(cyclopropylmethyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.21 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S8U
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BU of 5s8u by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: 4-(furan-2-carbonyl)-N-(4-methoxyphenyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.33 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S92
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BU of 5s92 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: N-(2-methoxyethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S90
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BU of 5s90 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: 4-(furan-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S91
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BU of 5s91 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: 4-(furan-2-carbonyl)-N-(2,2,2-trifluoroethyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S94
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BU of 5s94 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: N-(cyclopropylmethyl)-4-(5-methylfuran-2-carbonyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S8X
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BU of 5s8x by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material
Descriptor: 3,4-dichlorobenzoate, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S93
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BU of 5s93 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z198194396 synthetic derivative
Descriptor: 4-(5-chlorofuran-2-carbonyl)-N-(2-methoxyethyl)piperazine-1-carboxamide, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.19 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published
5S96
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PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with starting material
Descriptor: 2-HYDROXYBENZOIC ACID, PH-interacting protein
Authors:Grosjean, H, Aimon, A, Hassel-Hart , S, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Biggin, P.C, Spencer, J, von Delft, F.
Deposit date:2021-01-22
Release date:2021-02-17
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.17 Å)
Cite:Crystal Structures of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in space group C2 soaked with crude reaction mixtures
To Be Published

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