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6YIK
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BU of 6yik by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
分子名称: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
著者Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
登録日2020-04-01
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
6YIN
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BU of 6yin by Molmil
Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
分子名称: (4~{R})-~{N}-[3-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)propyl]-4-methyl-2-oxidanylidene-1,3,4,5-tetrahydro-1,5-benzodiazepine-6-carboxamide, Bromodomain-containing protein 4
著者Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
登録日2020-04-01
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Crystal structure of the first bromodomain of BRD4 in complex with a benzo-diazepine ligand
To Be Published
6YIJ
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BU of 6yij by Molmil
Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
分子名称: (4~{R})-6-[(~{E})-5-(7-methoxy-3,4-dihydro-2~{H}-quinolin-1-yl)pent-1-enyl]-4-methyl-1,3,4,5-tetrahydro-1,5-benzodiazepin-2-one, CREBBP
著者Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
登録日2020-04-01
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of the CREBBP bromodomain in complex with a benzo-diazepine ligand
To Be Published
6YIL
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BU of 6yil by Molmil
Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
分子名称: (3~{R})-~{N}-[3-(3,4-dihydro-2~{H}-quinolin-1-yl)-2,2-bis(fluoranyl)propyl]-3-methyl-2-oxidanylidene-3,4-dihydro-1~{H}-quinoxaline-5-carboxamide, CREBBP
著者Picaud, S, Brand, M, Tobias, K, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Conway, S, Filippakopoulos, P.
登録日2020-04-01
公開日2020-04-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.22 Å)
主引用文献Crystal structure of the CREBBP bromodomain in complex with a tetrahydroquinoxaline ligand
To Be Published
6Y7L
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BU of 6y7l by Molmil
Structure of the BRD9 bromodomain and TP-472
分子名称: 3-(6-acetylpyrrolo[1,2-a]pyrimidin-8-yl)-N-cyclopropyl-4-methylbenzamide, Bromodomain-containing protein 9
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the BRD9 bromodomain and compound 2
To Be Published
6Y7H
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BU of 6y7h by Molmil
Structure of the BRD9 bromodomain and compound 11
分子名称: 1,2-ETHANEDIOL, 1-(8-phenylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
6Y7G
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BU of 6y7g by Molmil
Structure of the human RAB3C in complex with GDP
分子名称: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, ...
著者Diaz-Saez, L, Jung, S, Raux, B, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-02-29
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Structure of the human RAB3C in complex with GDP
To Be Published
6Y7I
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BU of 6y7i by Molmil
Structure of the BRD9 bromodomain and compound 2
分子名称: 1,2-ETHANEDIOL, 1-(8-pyridin-2-ylpyrrolo[1,2-a]pyrimidin-6-yl)ethanone, Bromodomain-containing protein 9
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M, Structural Genomics Consortium (SGC)
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the BRD9 bromodomain and compound 2
To Be Published
6Y7J
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BU of 6y7j by Molmil
Structure of the BRD9 bromodomain and compound 15
分子名称: 1-[8-(2,5-dimethoxyphenyl)pyrrolo[1,2-a]pyrimidin-6-yl]ethanone, ACETATE ION, Bromodomain-containing protein 9, ...
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
6Y7K
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BU of 6y7k by Molmil
Structure of the BRD9 bromodomain and compound 27
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 9, SODIUM ION, ...
著者Diaz-Saez, L, Krojer, T, Picaud, S, von Delft, F, Filippakopoulos, P, Arrowsmith, C.H, Edwards, A, Bountra, C, Huber, K.V.M.
登録日2020-03-01
公開日2021-03-31
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Structure of the BRD9 bromodomain
To Be Published
6OOV
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BU of 6oov by Molmil
Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
分子名称: DNA (5'-D(*CP*AP*AP*CP*GP*TP*TP*GP*TP*TP*TP*TP*T)-3'), Embryonic stem cell-specific 5-hydroxymethylcytosine-binding protein, UNKNOWN ATOM OR ION
著者Halabelian, L, Zeng, H, Li, Y, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC)
登録日2019-04-23
公開日2019-05-15
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Crystal structure of HMCES SRAP domain in complex with palindromic 3' overhang DNA
To Be Published
6QH4
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BU of 6qh4 by Molmil
Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant
分子名称: COBALT (II) ION, Methylmalonyl-CoA epimerase, mitochondrial
著者Bailey, H.J, Chaikuid, A, Krysztofinska, E, Froese, D.S, Sorrell, F.J, Diaz-Saez, L, Kennedy, E, Edwards, A.M, Bountra, C, Yue, W.W.
登録日2019-01-15
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.922 Å)
主引用文献Crystal structure of human Methylmalonyl-CoA epimerase (MCEE) p.Arg143Cys variant
To Be Published
6Z36
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BU of 6z36 by Molmil
Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
分子名称: 1,2-ETHANEDIOL, 4-methyl-3-(4-piperidin-4-ylphenyl)-5-(3,4,5-trimethoxyphenyl)pyridine, AMMONIUM ION, ...
著者Adamson, R.J, Williams, E.P, Smil, D, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N.
登録日2020-05-19
公開日2020-05-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.37 Å)
主引用文献Crystal structure of the ACVR1 (ALK2) kinase in complex with the compound M4K2118
To Be Published
6QU2
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BU of 6qu2 by Molmil
Crystal structure of DYRK1A complexed with FC162 inhibitor
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 8-cyclopropyl-2-pyridin-3-yl-[1,3]thiazolo[5,4-f]quinazolin-9-one, DIMETHYL SULFOXIDE, ...
著者Chaikuad, A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Besson, T, Knapp, S, Structural Genomics Consortium (SGC)
登録日2019-02-26
公開日2020-03-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Crystal structure of DYRK1A complexed with FC162 inhibitor
To Be Published
6OQM
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BU of 6oqm by Molmil
crystal structure of the MSH6 PWWP domain
分子名称: DNA mismatch repair protein Msh6, MAGNESIUM ION, SULFATE ION, ...
著者Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC)
登録日2019-04-26
公開日2019-05-29
最終更新日2023-10-11
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献crystal structure of the MSH6 PWWP domain
To Be Published
6QZL
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BU of 6qzl by Molmil
Structure of the H1 domain of human KCTD12
分子名称: BTB/POZ domain-containing protein KCTD12
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Newman, J.A, Kupinska, K, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N, Structural Genomics Consortium (SGC)
登録日2019-03-11
公開日2019-03-20
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献Structure of the H1 domain of human KCTD12
To be published
6QNV
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BU of 6qnv by Molmil
Fibrinogen-like globe domain of Human Tenascin-C
分子名称: Tenascin
著者Coker, J.A, Bezerra, G.A, Bradshaw, W.J, Zhang, M, Yosaatmadja, Y, Fernandez-Cid, A, Shrestha, L, Burgess-Brown, N, Gileadi, O, Arrowsmith, C.H, Bountra, C, Midwood, K.S, Yue, W.W, Marsden, B.D, Structural Genomics Consortium (SGC)
登録日2019-02-12
公開日2019-02-27
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.4 Å)
主引用文献Fibrinogen-like globe domain of Human Tenascin-C
To Be Published
6S4L
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BU of 6s4l by Molmil
Structure of human KCTD1
分子名称: BTB/POZ domain-containing protein KCTD1, IODIDE ION, SODIUM ION
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Pike, A.C.W, Newman, J.A, Krojer, T, Shrestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Bullock, A.N.
登録日2019-06-28
公開日2020-07-15
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.42 Å)
主引用文献Structure of human KCTD1
To be published
6G4Q
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BU of 6g4q by Molmil
Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
分子名称: 1,2-ETHANEDIOL, Succinate--CoA ligase [ADP-forming] subunit beta, mitochondrial, ...
著者Bailey, H.J, Shrestha, L, Rembeza, E, Sorrell, F.J, Newman, J, Strain-Damerell, C, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W.
登録日2018-03-28
公開日2018-04-11
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.59 Å)
主引用文献Structure of human ADP-forming succinyl-CoA ligase complex SUCLG1-SUCLA2
To Be Published
6T7K
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BU of 6t7k by Molmil
Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
分子名称: 1,2-ETHANEDIOL, PROLINE, Proline--tRNA ligase, ...
著者Johansson, C, Wang, J, Tye, M, Payne, N.C, Mazitschek, R, Thompson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Oppermann, U.C.T.
登録日2019-10-22
公開日2020-11-18
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal Structure of Prolyl-tRNA synthetase (ProRS, Proline--tRNA ligase) from Plasmodium falciparum in complex with NCP-26 and L-Proline
To Be Published
6GQD
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BU of 6gqd by Molmil
Structure of human galactose-1-phosphate uridylyltransferase (GALT), with crystallization epitope mutations A21Y:A22T:T23P:R25L
分子名称: 1,2-ETHANEDIOL, 5,6-DIHYDROURIDINE-5'-MONOPHOSPHATE, Galactose-1-phosphate uridylyltransferase, ...
著者Fairhead, M, Strain-Damerell, C, Kopec, J, Bezerra, G.A, Zhang, M, Burgess-Brown, N, von Delft, F, Arrowsmith, C, Edwards, A, Bountra, C, Yue, W.W, Structural Genomics Consortium (SGC)
登録日2018-06-07
公開日2018-07-18
実験手法X-RAY DIFFRACTION (1.523 Å)
主引用文献Structure of human galactose-1-phosphate uridylyltransferase (GALT), with crystallization epitope mutations A21Y:A22T:T23P:R25L
To Be Published
6G8R
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BU of 6g8r by Molmil
SP140 PHD-Bromodomain complex with scFv
分子名称: 1,2-ETHANEDIOL, Nuclear body protein SP140, ZINC ION, ...
著者Fairhead, M, Graslund, S, Strain-Damerell, C, Picaud, S.S, Pike, A.C.W, Pinkas, D.M, Wigren, E, Preger, C, Persson Lotsholm, H, Ossipova, E, Filippakopoulos, P, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Structural Genomics Consortium (SGC)
登録日2018-04-09
公開日2018-04-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献SP140 PHD-Bromodomain complex with scFv
To Be Published
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
3ZWF
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BU of 3zwf by Molmil
Crystal structure of Human tRNase Z, short form (ELAC1).
分子名称: 1,2-ETHANEDIOL, PHOSPHATE ION, SODIUM ION, ...
著者Allerston, C.K, Krojer, T, Berridge, G, Burgess-Brown, N, Chaikuad, A, Chalk, R, Elkins, J.M, Gileadi, C, Latwiel, S.V.A, Savitsky, P, Vollmar, M, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O.
登録日2011-07-29
公開日2011-08-10
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Crystal Structure of Human Trnase Z, Short Form (Elac1).
To be Published
3ZYW
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Crystal structure of the first glutaredoxin domain of human glutaredoxin 3 (GLRX3)
分子名称: 1,2-ETHANEDIOL, GLUTAREDOXIN-3
著者Vollmar, M, Johansson, C, Cocking, R, Krojer, T, Muniz, J.R.C, Kavanagh, K.L, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Oppermann, U.
登録日2011-08-29
公開日2012-02-29
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.84 Å)
主引用文献Crystal Structure of the First Glutaredoxin Domain of Human Glutaredoxin 3 (Glrx3)
To be Published

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件を2024-06-12に公開中

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