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5KH6
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BU of 5kh6 by Molmil
SETDB1 in complex with a fragment candidate
Descriptor: 1,2-ETHANEDIOL, ACETATE ION, CHLORIDE ION, ...
Authors:Walker, J.R, Harding, R.J, Mader, P, Dobrovetsky, E, Dong, A, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, von Delft, F, Brown, P.J, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Santhakumar, V, Structural Genomics Consortium (SGC)
Deposit date:2016-06-14
Release date:2016-09-21
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:SETDB1 in complex with a fragment candidate
To be published
5KH9
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BU of 5kh9 by Molmil
Crystal structure of a low occupancy fragment candidate (5-[(4-Isopropylphenyl)amino]-6-methyl-1,2,4-triazin-3(2H)-one) bound in the ubiquitin binding pocket of the HDAC6 zinc-finger domain
Descriptor: 6-methyl-5-[(4-propan-2-ylphenyl)amino]-2~{H}-1,2,4-triazin-3-one, FORMIC ACID, Histone deacetylase 6, ...
Authors:Harding, R.J, Tempel, W, Ravichandran, M, Collins, P, Pearce, N, Brandao-Neto, J, Douangamath, A, Schapira, M, Bountra, C, Edwards, A.M, von Delft, F, Santhakumar, V, Arrowsmith, C.M, Structural Genomics Consortium (SGC)
Deposit date:2016-06-14
Release date:2016-07-27
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.07 Å)
Cite:Small Molecule Antagonists of the Interaction between the Histone Deacetylase 6 Zinc-Finger Domain and Ubiquitin.
J. Med. Chem., 60, 2017
6AWE
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BU of 6awe by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile
Descriptor: 2-fluoro-6-{[2-(pyridin-2-yl)ethyl]amino}benzonitrile, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-09-05
Release date:2018-09-12
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-fluoro-6-(2-pyridin-2-ylethylamino)benzonitrile
To Be Published
6B71
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BU of 6b71 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole
Descriptor: 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-10-03
Release date:2018-10-10
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-(4-chlorophenyl)-5H,6H-imidazo[2,1-b][1,3]thiazole
To Be Published
6B4Q
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BU of 6b4q by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with pyridin-4-ol
Descriptor: DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase, pyridin-4-ol
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-09-27
Release date:2018-10-03
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with pyridine-4-ol
To Be Published
6B7I
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BU of 6b7i by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid
Descriptor: (2S)-(3,5-difluorophenyl)(hydroxy)acetic acid, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-10-04
Release date:2018-10-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.54 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (2S)-2-(3,5-difluorophenyl)-2-hydroxyacetic acid
To Be Published
6B37
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BU of 6b37 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,3-benzothiazol-2-ol
Descriptor: 1,3-benzothiazol-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-09-21
Release date:2018-09-26
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,3-benzothiazol-2-ol
To Be Published
6B3L
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BU of 6b3l by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2,3-dihydro-1H-inden-2-amine
Descriptor: DIMETHYL SULFOXIDE, INDAN-2-AMINE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-09-22
Release date:2018-09-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2,3-dihydro-1H-inden-2-amine
To Be Published
6AXA
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BU of 6axa by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (3S)-5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
Descriptor: (3S)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-09-06
Release date:2018-09-12
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 5-fluoro-3-hydroxy-1,3-dihydroindol-2-one
To Be Published
6B56
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BU of 6b56 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 5-butylpyridine-2-carboxylic acid
Descriptor: 5-butylpyridine-2-carboxylic acid, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-09-28
Release date:2018-10-03
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 5-butylpyridine-2-carboxylic acid
To Be Published
6B2L
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BU of 6b2l by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with piperidin-2-Imine
Descriptor: DIMETHYL SULFOXIDE, PIPERIDIN-2-IMINE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-09-20
Release date:2018-09-26
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with piperidin-2-Imine
To Be Published
6B6K
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BU of 6b6k by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 6-methyl-2,3-dihydropyridazin-3-one
Descriptor: 6-methylpyridazin-3-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-10-02
Release date:2018-10-10
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methylpyridazin-1-ium-6-olate
To Be Published
6BFV
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BU of 6bfv by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 5-fluoro-1,2-dihydropyrimidin-2-one
Descriptor: 5-fluoropyrimidin-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-10-27
Release date:2018-11-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.921 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 5-fluoropyrimidin-1-ium-2-olate
To Be Published
6B4T
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BU of 6b4t by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-methylpyridin-2-ol
Descriptor: 4-methylpyridin-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-09-27
Release date:2018-10-03
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.51 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-methylpyridin-2-ol
To Be Published
6BB7
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BU of 6bb7 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methyl-1,2-dihydropyridin-2-one
Descriptor: 3-methylpyridin-2-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-10-17
Release date:2018-10-17
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.44 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 3-methylpyridin-1-ium-2-olate
To Be Published
6BHB
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BU of 6bhb by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-aminopyrimidin-5-ol
Descriptor: 2-aminopyrimidin-5-ol, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-10-30
Release date:2018-11-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-aminopyrimidin-5-ol
To Be Published
6BIF
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BU of 6bif by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1-(4-amino-2-hydroxyphenyl)ethan-1-one
Descriptor: 1-(4-amino-2-hydroxyphenyl)ethan-1-one, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-11-01
Release date:2018-11-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1-(4-amino-2-hydroxyphenyl)ethan-1-one
To Be Published
6BJ7
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BU of 6bj7 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine
Descriptor: 4-chloro-6-methylpyrimidin-2-amine, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-11-05
Release date:2018-11-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.56 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 4-chloro-6-methylpyrimidin-2-amine
To Be Published
6BJ6
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BU of 6bj6 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-{[(S)-benzenesulfinyl]methyl}benzoic acid
Descriptor: 2-{[(S)-phenylsulfinyl]methyl}benzoic acid, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-11-05
Release date:2018-11-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 2-{[(S)-benzenesulfinyl]methyl}benzoic acid
To Be Published
6BI9
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BU of 6bi9 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid
Descriptor: 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid, DIMETHYL SULFOXIDE, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-11-01
Release date:2018-11-07
Last modified:2024-11-20
Method:X-RAY DIFFRACTION (1.59 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with 1,2,5-trimethyl-1H-pyrrole-3-carboxylic acid
To Be Published
6BI1
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BU of 6bi1 by Molmil
Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (2R)-2-amino-3-(benzyloxy)propan-1-ol
Descriptor: DIMETHYL SULFOXIDE, O-benzyl-L-serine, Purine nucleoside phosphorylase
Authors:Faheem, M, Neto, J.B, Collins, P, Pearce, N.M, Valadares, N.F, Bird, L, Pereira, H.M, Delft, F.V, Barbosa, J.A.R.G.
Deposit date:2017-10-31
Release date:2018-11-07
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.42 Å)
Cite:Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni in complex with (2R)-2-amino-3-(benzyloxy)propan-1-ol
To Be Published
5ENB
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BU of 5enb by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with o-Tolylthiourea (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein
Authors:Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2015-11-09
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.73 Å)
Cite:A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENI
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BU of 5eni by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-13 N11537 (SGC - Diamond I04-1 fragment screening)
Descriptor: PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide
Authors:Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2015-11-09
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENJ
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BU of 5enj by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-14 N11530 (SGC - Diamond I04-1 fragment screening)
Descriptor: MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
Authors:Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Szykowska, A, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2015-11-09
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5ENE
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BU of 5ene by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with 5-Amino-2-benzyl-1,3-oxazole-4-carbonitrile (SGC - Diamond I04-1 fragment screening)
Descriptor: 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein
Authors:Krojer, T, Talon, R, Collins, P, Bradley, A, Cox, O, Amin, J, Szykowska, A, Burgess-Brown, N, Spencer, J, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F, Structural Genomics Consortium (SGC)
Deposit date:2015-11-09
Release date:2016-04-27
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016

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