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5Q4T
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BU of 5q4t by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 94)
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 (1.77 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q5A
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BU of 5q5a by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 111)
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 (2.26 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q5R
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BU of 5q5r by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 128)
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 (1.39 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q67
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BU of 5q67 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 144)
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 (1.65 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
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
5RHG
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BU of 5rhg by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z235341991
分子名称: 1,2-ETHANEDIOL, N-(2-methoxy-5-methylphenyl)glycinamide, NS3 Helicase, ...
著者Godoy, A.S, Mesquita, N.C.M.R, Oliva, G.
登録日2020-05-25
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.41 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R7W
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BU of 5r7w by Molmil
PanDDA analysis group deposition of ground-state model of INTERLEUKIN-1 BETA
分子名称: Interleukin-1 beta, SULFATE ION
著者De Nicola, G.F, Nichols, C.E.
登録日2020-03-02
公開日2020-04-22
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
5RHW
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BU of 5rhw by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z31222641
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, NS3 Helicase, ...
著者Godoy, A.S, Mesquita, N.C.M.R, Oliva, G.
登録日2020-05-25
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献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
5RHT
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BU of 5rht by Molmil
PanDDA analysis group deposition -- Crystal Structure of Zika virus NS3 Helicase in complex with Z291279160
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 1,2-ETHANEDIOL, 1-[2-(trifluoromethyloxy)phenyl]thiourea, ...
著者Godoy, A.S, Mesquita, N.C.M.R, Oliva, G.
登録日2020-05-25
公開日2020-06-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R4P
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BU of 5r4p by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with NM450-1
分子名称: (5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
著者Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
登録日2020-02-27
公開日2020-07-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R55
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BU of 5r55 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13369a
分子名称: DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22, ~{N}-methyl-1-pyridin-4-yl-methanamine
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 (1.48 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R5L
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BU of 5r5l by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13589a
分子名称: 4-(methylsulfonylamino)benzamide, 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 (1.63 Å)
主引用文献PanDDA analysis group deposition
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
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
5R52
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BU of 5r52 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N14004a
分子名称: DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22, methyl (2~{S},4~{R})-1-(furan-2-ylcarbonyl)-4-oxidanyl-pyrrolidine-2-carboxylate
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 (1.48 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R5J
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BU of 5r5j by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N13964a
分子名称: 3-[(5-methylthiophen-2-yl)methylamino]benzoic acid, 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
5R5X
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BU of 5r5x by Molmil
PanDDA analysis group deposition -- Crystal Structure of FIBRINOGEN-LIKE GLOBE DOMAIN OF HUMAN TENASCIN-C in complex with Z1259335913
分子名称: 1-{1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl}methanamine, 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 (1.56 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R7X
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BU of 5r7x by Molmil
PanDDA analysis group deposition of ground-state model of Human JMJD1B
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 (1.44 Å)
主引用文献PanDDA analysis group deposition of ground-state model for Human JMJD1B screened against the DSPL Fragment Library
To Be Published
5RAM
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BU of 5ram by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with XS038544d
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 (2.05 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
5RB0
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BU of 5rb0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD1B in complex with FM010020a
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 (1.95 Å)
主引用文献PanDDA analysis group deposition of Human JMJD1B screened against the DSPL Fragment Library
To Be Published
5R57
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BU of 5r57 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human NUDT22 in complex with N08253b
分子名称: DIMETHYL SULFOXIDE, Uridine diphosphate glucose pyrophosphatase NUDT22, ~{N}-(4-cyanophenyl)ethanamide
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 (1.44 Å)
主引用文献PanDDA analysis group deposition
To Be Published

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件を2024-07-17に公開中

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