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5ENF
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BU of 5enf by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with fragment-4 N10142 (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-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 (1.37 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
7KFA
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BU of 7kfa by Molmil
PCSK9 in complex with PCSK9i a 13mer cyclic peptide LDLR disruptor
Descriptor: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL, CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, ...
Authors:Chopra, R, Xu, M, Spraggon, G.
Deposit date:2020-10-13
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
7KEV
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BU of 7kev by Molmil
PCSK9 in complex with a cyclic peptide LDLR disruptor
Descriptor: CALCIUM ION, Proprotein convertase subtilisin/kexin type 9, Proprotein convertase subtilisin/kexin type 9 Propeptide, ...
Authors:Spraggon, G, Chopra, R.
Deposit date:2020-10-12
Release date:2021-11-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Identification of a PCSK9-LDLR disruptor peptide with in vivo function.
Cell Chem Biol, 29, 2022
5ENH
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BU of 5enh by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with compound-12 N11528 (SGC - Diamond I04-1 fragment screening)
Descriptor: PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)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 (1.95 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
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
5ENC
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BU of 5enc by Molmil
Crystal structure of the second bromodomain of Pleckstrin homology domain interacting protein (PHIP) in complex with N-(2,6-Dichlorobenzyl)acetamide (SGC - Diamond I04-1 fragment screening)
Descriptor: 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]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 (1.59 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
8CCX
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BU of 8ccx by Molmil
Human SOD1 in complex with S-XL6 cross-linker
Descriptor: COPPER (II) ION, DIMETHYL SULFOXIDE, SULFATE ION, ...
Authors:Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S.
Deposit date:2023-01-27
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.665 Å)
Cite:Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
8Q6M
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BU of 8q6m by Molmil
Human SOD1 low dose data collecton
Descriptor: ACETATE ION, COPPER (II) ION, SULFATE ION, ...
Authors:Antonyuk, S.V, Hossain, A, Agar, J.N, Hasnain, S.S.
Deposit date:2023-08-14
Release date:2023-12-13
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:Evaluating protein cross-linking as a therapeutic strategy to stabilize SOD1 variants in a mouse model of familial ALS.
Plos Biol., 22, 2024
3ZME
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BU of 3zme by Molmil
Structure of the p53 core domain mutant Y220C bound to the small molecule PhiKan7242
Descriptor: 2-(4-(4-fluorophenyl)-5-(1H-pyrrol-1-yl)-1H-pyrazol-1-yl)-N,N-dimethylethanamine, Cellular tumor antigen p53, ZINC ION
Authors:Joerger, A.C, Wilcken, R.
Deposit date:2013-02-07
Release date:2013-05-08
Last modified:2019-05-15
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:Small molecule induced reactivation of mutant p53 in cancer cells.
Nucleic Acids Res., 41, 2013

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