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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)
分子名称: 1,2-ETHANEDIOL, 5-azanyl-2-(2-methylpropyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein
著者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)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
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)
分子名称: PH-interacting protein, ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide
著者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)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献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)
分子名称: 1,2-ETHANEDIOL, 1-(2-methylphenyl)thiourea, PH-interacting protein
著者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)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献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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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)
分子名称: PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-2-oxidanyl-ethanamide
著者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)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献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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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)
分子名称: MAGNESIUM ION, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]-~{N}-methyl-ethanamide
著者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)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献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)
分子名称: 5-azanyl-2-(phenylmethyl)-1,3-oxazole-4-carbonitrile, PH-interacting protein
著者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)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献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)
分子名称: 1,2-ETHANEDIOL, PH-interacting protein, ~{N}-[[2,6-bis(chloranyl)phenyl]methyl]ethanamide
著者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)
登録日2015-11-09
公開日2016-04-27
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A poised fragment library enables rapid synthetic expansion yielding the first reported inhibitors of PHIP(2), an atypical bromodomain.
Chem Sci, 7, 2016
5F5C
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BU of 5f5c by Molmil
Crystal Structure of human JMJD2D complexed with KDOPP7
分子名称: 1,2-ETHANEDIOL, 8-[[(phenylmethyl)amino]methyl]-1~{H}-pyrido[3,4-d]pyrimidin-4-one, Lysine-specific demethylase 4D, ...
著者Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5F5A
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BU of 5f5a by Molmil
Crystal Structure of human JMJD2D complexed with KDOAM16
分子名称: 1,2-ETHANEDIOL, 2-[(furan-2-ylmethylamino)methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4D, ...
著者Krojer, T, Vollmar, M, Crawley, L, Bradley, A.R, Szykowska, A, Ruda, G.F, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-16
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
5F5I
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BU of 5f5i by Molmil
Crystal Structure of human JMJD2A complexed with KDOOA011340
分子名称: 2-[[(phenylmethyl)amino]methyl]pyridine-4-carboxylic acid, Lysine-specific demethylase 4A, NICKEL (II) ION, ...
著者Krojer, T, Vollmar, M, Crawley, L, Szykowska, A, Gileadi, C, Johansson, C, England, K, Yang, H, Burgess-Brown, N, Brennan, P, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U, von Delft, F, Structural Genomics Consortium (SGC)
登録日2015-12-04
公開日2015-12-30
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.63 Å)
主引用文献8-Substituted Pyrido[3,4-d]pyrimidin-4(3H)-one Derivatives As Potent, Cell Permeable, KDM4 (JMJD2) and KDM5 (JARID1) Histone Lysine Demethylase Inhibitors.
J.Med.Chem., 59, 2016
4CRI
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BU of 4cri by Molmil
Crystal Structure of 53BP1 tandem tudor domains in complex with methylated K810 Rb peptide
分子名称: RB1 PROTEIN, TUMOR SUPPRESSOR P53-BINDING PROTEIN 1
著者Krojer, T, Johansson, C, Gileadi, C, Fedorov, O, Carr, S, La Thangue, N.B, Vollmar, M, Crawley, L, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U.
登録日2014-02-26
公開日2014-08-06
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (2.35 Å)
主引用文献Lysine Methylation-Dependent Binding of 53BP1 to the Prb Tumor Suppressor.
Proc.Natl.Acad.Sci.USA, 111, 2014
3SOM
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BU of 3som by Molmil
crystal structure of human MMACHC
分子名称: 1,2-ETHANEDIOL, 2-AMINO-ETHANETHIOL, 5'-DEOXYADENOSINE, ...
著者Krojer, T, Froese, D.S, von Delft, F, Muniz, J.R, Gileadi, C, Vollmar, M, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Gravel, R.A, Yue, W.W, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2011-06-30
公開日2011-07-27
最終更新日2015-04-15
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure of MMACHC reveals an arginine-rich pocket and a domain-swapped dimer for its B12 processing function.
Biochemistry, 51, 2012
5APA
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BU of 5apa by Molmil
Crystal structure of human aspartate beta-hydroxylase isoform a
分子名称: (2S)-2-hydroxybutanedioic acid, 1,2-ETHANEDIOL, ASPARTYL/ASPARAGINYL BETA-HYDROXYLASE, ...
著者Krojer, T, Kochan, G, Pfeffer, I, McDonough, M.A, Pilka, E, Hozjan, V, Allerston, C, Muniz, J.R, Chaikuad, A, Gileadi, O, Kavanagh, K, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
登録日2015-09-15
公開日2015-09-23
最終更新日2019-11-06
実験手法X-RAY DIFFRACTION (2.05 Å)
主引用文献Aspartate/asparagine-beta-hydroxylase crystal structures reveal an unexpected epidermal growth factor-like domain substrate disulfide pattern.
Nat Commun, 10, 2019
2XDV
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BU of 2xdv by Molmil
Crystal Structure of the Catalytic Domain of FLJ14393
分子名称: 1,2-ETHANEDIOL, CADMIUM ION, MANGANESE (II) ION, ...
著者Krojer, T, Muniz, J.R.C, Ng, S.S, Pilka, E, Guo, K, Pike, A.C.W, Filippakopoulos, P, Knapp, S, Kavanagh, K.L, Gileadi, O, Bunkoczi, G, Yue, W.W, Niesen, F, Sobott, F, Fedorov, O, Savitsky, P, Kochan, G, Daniel, M, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U.
登録日2010-05-07
公開日2010-05-26
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.57 Å)
主引用文献Ribosomal oxygenases are structurally conserved from prokaryotes to humans.
Nature, 510, 2014
8C8A
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BU of 8c8a by Molmil
The NMR structure of the MAX28 effector from Magnaporthe oryzae
分子名称: But2 domain-containing protein
著者Lahfa, M, Padilla, A, de Guillen, K, Kroj, T, Roumestand, C, Barthe, P.
登録日2023-01-19
公開日2024-02-14
実験手法SOLUTION NMR
主引用文献1H, 15N Backbone and side-chain NMR assignments for a MAX effector from Magnaporthe oryzae
To Be Published
2MYW
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BU of 2myw by Molmil
Solution structure of M. oryzae protein AVR-PIA
分子名称: AVR-Pia protein
著者de Guillen, K, Kroj, T.
登録日2015-01-30
公開日2015-10-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure Analysis Uncovers a Highly Diverse but Structurally Conserved Effector Family in Phytopathogenic Fungi.
Plos Pathog., 11, 2015
2MYV
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BU of 2myv by Molmil
Solution structure of M. oryzae protein AVR1-CO39
分子名称: Uncharacterized protein
著者de Guillen, K, Kroj, T.
登録日2015-01-30
公開日2015-10-14
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Structure Analysis Uncovers a Highly Diverse but Structurally Conserved Effector Family in Phytopathogenic Fungi.
Plos Pathog., 11, 2015
7ZKD
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BU of 7zkd by Molmil
The NMR structure of the MAX47 effector from Magnaporthe Oryzae
分子名称: MAX effector protein
著者Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P.
登録日2022-04-12
公開日2023-04-26
最終更新日2023-11-08
実験手法SOLUTION NMR
主引用文献1 H, 13 C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae.
Biomol.Nmr Assign., 16, 2022
7ZJY
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BU of 7zjy by Molmil
The NMR structure of the MAX67 effector from Magnaporthe Oryzae
分子名称: MAX effector protein
著者Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P.
登録日2022-04-12
公開日2023-04-26
最終更新日2023-11-08
実験手法SOLUTION NMR
主引用文献1 H, 13 C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae.
Biomol.Nmr Assign., 16, 2022
7ZK0
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BU of 7zk0 by Molmil
The NMR structure of the MAX60 effector from Magnaporthe Oryzae
分子名称: MAX effector protein
著者Lahfa, M, Padilla, A, de Guillen, K, Pissarra, J, Raji, M, Cesari, S, Kroj, T, Gladieux, P, Roumestand, C, Barthe, P.
登録日2022-04-12
公開日2023-04-26
最終更新日2023-11-08
実験手法SOLUTION NMR
主引用文献1 H, 13 C, 15 N backbone and side-chain NMR assignments for three MAX effectors from Magnaporthe oryzae.
Biomol.Nmr Assign., 16, 2022
4MHV
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BU of 4mhv by Molmil
Crystal structure of the PNT domain of human ETS2
分子名称: ACETATE ION, CALCIUM ION, GLYCEROL, ...
著者Newman, J.A, Cooper, C.D.O, Krojer, T, Shrestha, L, Burgess-brown, N, Arrowsmith, C.H, Bountra, C, Edwards, A, Gileadi, O.
登録日2013-08-30
公開日2013-09-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.45 Å)
主引用文献Crystal structure of the PNT domain of human ETS2
To be Published
4DIQ
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BU of 4diq by Molmil
Crystal Structure of human NO66
分子名称: Lysine-specific demethylase NO66, NICKEL (II) ION, PYRIDINE-2,4-DICARBOXYLIC ACID, ...
著者Vollmar, M, Krojer, T, Ng, S, Pilka, E, Bray, J, Pike, A.C.W, Filippakopoulos, P, Roos, A, Arrowsmith, C.H, Edwards, E, Bountra, C, von Delft, F, Oppermann, U, Structural Genomics Consortium (SGC)
登録日2012-01-31
公開日2012-03-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Crystal Structure of human NO66
TO BE PUBLISHED
4UY4
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BU of 4uy4 by Molmil
1.86 A structure of human Spindlin-4 protein in complex with histone H3K4me3 peptide
分子名称: GLYCEROL, HISTONE H3K4ME3, SPINDLIN-4
著者Talon, R, Gileadi, C, Johansson, C, Burgess-Brown, N, Shrestha, L, von Delft, F, Krojer, T, Fairhead, M, Bountra, C, Arrowsmith, C.H, Edwards, A, Oppermann, U.
登録日2014-08-28
公開日2014-09-24
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.862 Å)
主引用文献1.86 A Structure of Human Spindlin-4 Protein in Complex with Histone H3K4Me3 Peptide
To be Published
4UUC
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BU of 4uuc by Molmil
Crystal structure of human ASB11 ankyrin repeat domain
分子名称: ANKYRIN REPEAT AND SOCS BOX PROTEIN 11
著者Pinkas, D.M, Sanvitale, C, Kragh Nielsen, T, Guo, K, Sorrell, F, Berridge, G, Ayinampudi, V, Wang, D, Newman, J.A, Tallant, C, Chaikuad, A, Canning, P, Kopec, J, Krojer, T, Vollmar, M, Allerston, C.K, Chalk, R, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Bullock, A.
登録日2014-07-25
公開日2014-08-06
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Human Asb11 Ankyrin Repeat Domain
To be Published
7B6K
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BU of 7b6k by Molmil
Crystal structure of MurE from E.coli in complex with Z57715447
分子名称: 5-cyclohexyl-3-(pyridin-4-yl)-1,2,4-oxadiazole, CITRIC ACID, DIMETHYL SULFOXIDE, ...
著者Koekemoer, L, Steindel, M, Fairhead, M, Talon, R, Douangamath, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Krojer, T, Structural Genomics Consortium (SGC)
登録日2020-12-07
公開日2020-12-23
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.838 Å)
主引用文献Crystal structure of MurE from E.coli
To Be Published

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件を2024-08-07に公開中

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