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PDB: 3972 件
5RAR
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BU of 5rar by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with TD000005c
分子名称: 2-[4-[(3~{S})-pyrazolidin-3-yl]phenoxy]pyrimidine, CHLORIDE ION, Lysine-specific demethylase 3B, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
5RJL
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BU of 5rjl by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with NCL-00024662
分子名称: (4-bromo-2-methoxyphenyl)methanol, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.31 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RJZ
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BU of 5rjz by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z755044716
分子名称: N-ethyl-1H-1,2,3-triazole-4-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.275 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RK2
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BU of 5rk2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z54633859
分子名称: 2-[methyl(pyridin-2-yl)amino]ethan-1-ol, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.235 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKF
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BU of 5rkf by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1674937530
分子名称: 2-(1-ethyl-1H-pyrazol-4-yl)ethan-1-ol, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.264 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
6I5H
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BU of 6i5h by Molmil
Crystal structure of CLK1 in complex with furanopyrimidin VN412
分子名称: 1,2-ETHANEDIOL, 5-(1-methylpyrazol-4-yl)-3-(3-phenoxyphenyl)furo[3,2-b]pyridine, Dual specificity protein kinase CLK1, ...
著者Schroeder, M, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Paruch, K, Knapp, S, Structural Genomics Consortium (SGC)
登録日2018-11-13
公開日2019-01-16
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Furo[3,2-b]pyridine: A Privileged Scaffold for Highly Selective Kinase Inhibitors and Effective Modulators of the Hedgehog Pathway.
Angew. Chem. Int. Ed. Engl., 58, 2019
5RKV
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BU of 5rkv by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z56877838
分子名称: 2-(4-ethoxyphenyl)ethanoic acid, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.277 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKK
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BU of 5rkk by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z275181224
分子名称: N-[(1-ethyl-1H-pyrazol-4-yl)methyl]pyridine-3-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.43 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5Q1T
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BU of 5q1t by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000492a
分子名称: 1-(phenylmethyl)-4-pyrrol-1-yl-piperidine, DNA cross-link repair 1A protein, MALONATE 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2017-05-15
公開日2018-08-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q32
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BU of 5q32 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 30)
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 (1.87 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5RAB
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BU of 5rab by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001726a
分子名称: (2R,5S)-5-(4-chlorophenyl)oxolane-2-carbohydrazide, CHLORIDE ION, Lysine-specific demethylase 3B, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
5RAS
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BU of 5ras by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS036302b
分子名称: 2-(4-phenylpiperidin-1-yl)ethanoic acid, CHLORIDE ION, Lysine-specific demethylase 3B, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
5R5U
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BU of 5r5u by Molmil
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1545312521
分子名称: (2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide, Tenascin C (Hexabrachion), isoform CRA_a
著者Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D.
登録日2020-02-28
公開日2020-10-28
実験手法X-RAY DIFFRACTION (1.52 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5RJT
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BU of 5rjt by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z404993336
分子名称: 5-methyl-N-(1-methyl-1H-pyrazol-4-yl)-1,2-oxazole-3-carboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.169 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RK8
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BU of 5rk8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z53116498
分子名称: 3-(2-methyl-1H-benzimidazol-1-yl)propanamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.272 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKJ
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BU of 5rkj by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z373768898
分子名称: N-(1-ethyl-1H-pyrazol-4-yl)cyclopentanecarboxamide, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RJR
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BU of 5rjr by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z45705015
分子名称: PH-interacting protein, ~{N}-[2-(4-fluorophenyl)ethyl]methanesulfonamide
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.27 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RK7
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BU of 5rk7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z31721097
分子名称: PH-interacting protein, ethyl morpholine-4-carboxylate
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.304 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5RKP
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BU of 5rkp by Molmil
PanDDA analysis group deposition -- Crystal Structure of PHIP in complex with Z1079512010
分子名称: 6-methyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]pyridazin-3(2H)-one, PH-interacting protein
著者Grosjean, H, Aimon, A, Krojer, T, Talon, R, Douangamath, A, Koekemoer, L, Arrowsmith, C.H, Edwards, A, Bountra, C, von Delft, F, Biggin, P.C.
登録日2020-06-02
公開日2020-06-17
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.35 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5R60
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BU of 5r60 by Molmil
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z19735067
分子名称: 2-(4-fluorophenoxy)-1-(1H-pyrrol-1-yl)ethan-1-one, Tenascin C (Hexabrachion), isoform CRA_a
著者Coker, J.A, Bezerra, G.A, von Delft, F, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Yue, W.W, Marsden, B.D.
登録日2020-02-28
公開日2020-10-28
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献PanDDA analysis group deposition
To Be Published
3D7C
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BU of 3d7c by Molmil
Crystal structure of the bromodomain of human GCN5, the general control of amino-acid synthesis protein 5-like 2
分子名称: General control of amino acid synthesis protein 5-like 2
著者Filippakopoulos, P, Eswaran, J, Picaud, S, Fedorov, O, Murray, J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC)
登録日2008-05-21
公開日2008-07-15
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.06 Å)
主引用文献Histone recognition and large-scale structural analysis of the human bromodomain family.
Cell(Cambridge,Mass.), 149, 2012
3CEQ
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BU of 3ceq by Molmil
The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
分子名称: Kinesin light chain 2
著者Zhu, H, Shen, Y, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC)
登録日2008-02-29
公開日2008-08-12
最終更新日2017-10-25
実験手法X-RAY DIFFRACTION (2.75 Å)
主引用文献The TPR domain of Human Kinesin Light Chain 2 (hKLC2)
To be Published
5RAE
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BU of 5rae by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001558a
分子名称: 3-[4-(4-hydroxyphenyl)phenyl]propanoic acid, CHLORIDE ION, Lysine-specific demethylase 3B, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
5RAV
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BU of 5rav by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM001763a
分子名称: CHLORIDE ION, Lysine-specific demethylase 3B, MANGANESE (II) ION, ...
著者Snee, M, Nowak, R, Johansson, C, Burgess-Brown, N.A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Oppermann, U.
登録日2020-03-16
公開日2020-04-22
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
4NR6
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BU of 4nr6 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
分子名称: 1-[7-(3,4-dimethoxyphenyl)-9-{[(3R)-1-methylpiperidin-3-yl]methoxy}-2,3-dihydro-1,4-benzoxazepin-4(5H)-yl]propan-1-one, CREB-binding protein
著者Filippakopoulos, P, Picaud, S, Felletar, I, Hay, D, Fedorov, O, Martin, S, Chaikuad, A, 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2013-12-18
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of the bromodomain of human CREBBP in complex with an oxazepin ligand
To be Published

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件を2024-07-17に公開中

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