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PDB: 3976 件
5R4Z
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BU of 5r4z by Molmil
XChem fragment screen -- CRYSTAL STRUCTURE OF THE BROMODOMAIN OF THE HUMAN ATAD2 in complex with N13605a
分子名称: 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, SULFATE ION, ...
著者Talon, R, Krojer, T, Fairhead, M, Sethi, R, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Wright, N, MacLean, E, Zhang, R, Dias, A, Brennan, P.E, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2020-02-28
公開日2020-05-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献XChem fragment screen
To Be Published
5R58
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BU of 5r58 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13542a
分子名称: (3~{R},4~{R})-1,1-bis(oxidanylidene)-4-(pyridin-3-ylmethylamino)thiolan-3-ol, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22
著者Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
登録日2020-02-28
公開日2020-07-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.98 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R5R
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BU of 5r5r by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14078a
分子名称: 2-cyano-~{N}-(pyridin-4-ylmethyl)ethanamide, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22
著者Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
登録日2020-02-28
公開日2020-07-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R68
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BU of 5r68 by Molmil
XChem group deposition -- Crystal Structure of human YEATS4 in complex with FM000199e
分子名称: (1-methylbenzotriazol-5-yl)methanol, 1,2-ETHANEDIOL, YEATS domain-containing protein 4
著者Raux, B, Krojer, T, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A, Huber, K.V.M.
登録日2020-02-29
公開日2020-12-30
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献XChem group deposition
To Be Published
4CUR
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BU of 4cur by Molmil
Crystal structure of human BAZ2B in complex with fragment-3 N09555
分子名称: 1,2-ETHANEDIOL, 2-(hydroxymethyl)-6-methylpyridin-3-ol, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
著者Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
登録日2014-03-21
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.842 Å)
主引用文献Crystal Structure of Human Baz2B in Complex with Fragment-3 N09553
To be Published
5RYP
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BU of 5ryp by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1929757385
分子名称: (3S)-1-(3-fluoropyridin-2-yl)-4,4-dimethylpyrrolidin-3-ol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZ1
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BU of 5rz1 by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z27682767
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZJ
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BU of 5rzj by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434938
分子名称: 1,2-ETHANEDIOL, 1-(5-methoxy-1H-indol-3-yl)-N,N-dimethyl-methanamine, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZZ
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BU of 5rzz by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1551999220
分子名称: (2R)-3-(4-bromophenyl)-2-methylpropanamide, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.76 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
4NR8
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BU of 4nr8 by Molmil
Crystal structure of the first bromodomain of human BRD4 in complex with an isoxazolyl-benzimidazole ligand
分子名称: 1,2-ETHANEDIOL, 5-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[2-(morpholin-4-yl)ethyl]-2-(2-phenylethyl)-1H-benzimidazole, Bromodomain-containing protein 4, ...
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, von Delft, F, Brennan, P, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2013-11-26
公開日2013-12-25
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.635 Å)
主引用文献Crystal structure of the first bromodomain of human BRD4 in complex with an isoxazolyl-benzimidazole ligand
To be Published
4A35
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BU of 4a35 by Molmil
Crystal structure of human Mitochondrial enolase superfamily member 1 (ENOSF1)
分子名称: 1,2-ETHANEDIOL, MAGNESIUM ION, MITOCHONDRIAL ENOLASE SUPERFAMILY MEMBER 1
著者Muniz, J.R.C, Froese, D.S, Krojer, T, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Yue, W.W.
登録日2011-09-30
公開日2011-10-12
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献Enzymatic and structural characterization of rTS gamma provides insights into the function of rTS beta.
Biochemistry, 53, 2014
4EQZ
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BU of 4eqz by Molmil
Crystal structure of human DOT1L in complex with inhibitor FED2
分子名称: 5'-deoxy-5'-[(3-{[(4-methylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]adenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER0
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BU of 4er0 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor FED1
分子名称: 5'-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)(propan-2-yl)amino]-5'-deoxyadenosine, Histone-lysine N-methyltransferase, H3 lysine-79 specific, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Li, Y, Nguyen, K.T, Federation, A, Marineau, J, Qi, J, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-02
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4ER7
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BU of 4er7 by Molmil
Crystal Structure of human DOT1L in complex with inhibitor SGC0947
分子名称: 5-bromo-7-{5-[(3-{[(4-tert-butylphenyl)carbamoyl]amino}propyl)amino]-5-deoxy-beta-D-ribofuranosyl}-7H-pyrrolo[2,3-d]pyrimidin-4-amine, GLYCEROL, Histone-lysine N-methyltransferase, ...
著者Wernimont, A.K, Tempel, W, Yu, W, Scopton, A, Li, Y, Nguyen, K.T, Vedadi, M, Bradner, J.E, Schapira, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brown, P.J, Structural Genomics Consortium (SGC)
登録日2012-04-19
公開日2012-05-16
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Catalytic site remodelling of the DOT1L methyltransferase by selective inhibitors.
Nat Commun, 3, 2012
4CUS
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BU of 4cus by Molmil
Crystal structure of human BAZ2B in complex with fragment-4 N09496
分子名称: 1,2-ETHANEDIOL, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B, quinolin-4-ol
著者Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
登録日2014-03-21
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献Crystal Structure of Human Baz2B in Complex with Fragment-4 N09496
To be Published
4CUQ
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BU of 4cuq by Molmil
Crystal structure of human BAZ2B in complex with fragment-2 N09594
分子名称: 4-[(3S)-3-hydroxy-3-methoxypropyl]phenol, BROMODOMAIN ADJACENT TO ZINC FINGER DOMAIN PROTEIN 2B
著者Bradley, A.R, Liu, Y, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, Knapp, S, von Delft, F.
登録日2014-03-21
公開日2014-04-02
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (2.11 Å)
主引用文献Crystal Structure of Human Baz2B in Complex with Fragment-2 N09594
To be Published
5Q2P
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BU of 5q2p by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 17)
分子名称: DCLRE1A, MALONATE ION, NICKEL (II) ION
著者Newman, J.A, Aitkenhead, H, Lee, S.Y, Kupinska, K, Burgess-Brown, N, Tallon, R, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2017-05-25
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R4E
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BU of 5r4e by Molmil
PanDDA analysis group deposition -- Crystal Structure of ATAD2 in complex with RZ201
分子名称: (5R)-5-[(4-fluorophenyl)methyl]-5-(2-hydroxyethyl)-3-(2-methoxyethyl)imidazolidine-2,4-dione, 1,2-ETHANEDIOL, ATPase family AAA domain-containing protein 2, ...
著者Snee, M, Talon, R, Fowley, D, Collins, P, Nelson, A, Arrowsmith, C.H, Bountra, C, Edwards, A, Von-Delft, F.
登録日2020-02-21
公開日2020-04-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.83 Å)
主引用文献PanDDA analysis group deposition - Bromodomain of human ATAD2 fragment screening
To Be Published
5R50
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BU of 5r50 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13371a
分子名称: DIMETHYL SULFOXIDE, N-[4-(aminomethyl)phenyl]methanesulfonamide, Uridine diphosphate glucose pyrophosphatase NUDT22
著者Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
登録日2020-02-28
公開日2020-07-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R5I
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BU of 5r5i by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N06325b
分子名称: 1-ethanoylpiperidine-4-carbonitrile, DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22
著者Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
登録日2020-02-28
公開日2020-07-01
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5RYS
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BU of 5rys by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1593306637
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZ4
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BU of 5rz4 by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z2856434909
分子名称: (2R)-1-{[(2,6-dichlorophenyl)methyl]amino}propan-2-ol, 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RZL
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BU of 5rzl by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z1492796719
分子名称: 1,2-ETHANEDIOL, DIMETHYL SULFOXIDE, Isoform 2 of Band 4.1-like protein 3, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published
5RKZ
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BU of 5rkz by Molmil
PanDDA analysis group deposition of ground-state model of human NUDT22 screened against the DSPL fragment library by X-ray Crystallography
分子名称: DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22
著者Diaz-Saez, L, Talon, R, Krojer, T, Burgess-Brown, N.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, von Delft, F, Huber, K.V.M.
登録日2020-06-19
公開日2020-07-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RYO
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BU of 5ryo by Molmil
EPB41L3 PanDDA analysis group deposition -- Crystal Structure of the FERM domain of human EPB41L3 in complex with Z136583524
分子名称: 1,2-ETHANEDIOL, 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide, DIMETHYL SULFOXIDE, ...
著者Bradshaw, W.J, Katis, V.L, Newman, J.A, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Gileadi, O.
登録日2020-10-30
公開日2020-11-11
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献EPB41L3 PanDDA analysis group deposition
To Be Published

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件を2024-09-25に公開中

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