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PDB: 1159 件

5QJK
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BU of 5qjk by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z373221060
分子名称: 1,2-ETHANEDIOL, 6-(azetidin-1-yl)-9H-purine, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
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 of models with modelled events (e.g. bound ligands)
To Be Published
5QOU
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BU of 5qou by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z296300542
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QJZ
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BU of 5qjz by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1696822287
分子名称: (1R)-1-[4-(pyrimidin-5-yl)phenyl]ethan-1-amine, 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Collins, P, Krojer, T, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, Huber, K, von Delft, F.
登録日2018-10-31
公開日2018-12-19
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 models with modelled events (e.g. bound ligands)
To Be Published
5QPA
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BU of 5qpa by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000449a
分子名称: 1,2-ETHANEDIOL, 1-ethyl-N-[(4-fluorophenyl)methyl]-1H-pyrazole-4-carboxamide, ACETATE ION, ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRT
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BU of 5qrt by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z31735562
分子名称: CADMIUM ION, T-box transcription factor T, ~{N}-(3-acetamidophenyl)-2-methoxy-ethanamide
著者Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-07-10
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
5QRY
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BU of 5qry by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z2856434890
分子名称: 4-methyl-N-phenylpiperazine-1-carboxamide, CADMIUM ION, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-07-10
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
To Be Published
5QS5
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BU of 5qs5 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z32400357
分子名称: 1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide, CADMIUM ION, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QOQ
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BU of 5qoq by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z2895259680
分子名称: 1,2-ETHANEDIOL, 3-ethyl-N-[(4-fluorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide, ACETATE ION, ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
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
5QSH
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BU of 5qsh by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434868
分子名称: 1-ethyl-N-(2-fluorophenyl)piperidin-4-amine, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QOY
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BU of 5qoy by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with YW-FY-378
分子名称: 1,2-ETHANEDIOL, 1-[4-(2H-1,3-benzodioxole-5-carbonyl)-2,3,4,5-tetrahydro-1H-1,4-diazepin-1-yl]ethan-1-one, ACETATE ION, ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.69 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QT0
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BU of 5qt0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z321318226
分子名称: N-(4-methoxyphenyl)-N'-pyridin-4-ylurea, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-26
公開日2019-08-21
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QTN
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BU of 5qtn by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with SS-4432
分子名称: 1,2-ETHANEDIOL, 5-fluoro-1H-pyrrolo[2,3-b]pyridine, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2019-08-14
公開日2019-12-25
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
To Be Published
5QTQ
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BU of 5qtq by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-1169
分子名称: 1,2-ETHANEDIOL, 5-fluoroquinazolin-4(3H)-one, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2019-08-14
公開日2019-12-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QTO
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BU of 5qto by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 1R-0641
分子名称: 1,2-ETHANEDIOL, 3-(difluoromethyl)-8-(trifluoromethyl)[1,2,4]triazolo[4,3-a]pyridine, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2019-08-14
公開日2019-12-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QTL
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BU of 5qtl by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with GB-0804
分子名称: 1,2-ETHANEDIOL, 4-(trifluoromethyl)pyrimidin-2-amine, CHLORIDE ION, ...
著者Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2019-10-31
公開日2019-12-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QOR
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BU of 5qor by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1203490773
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
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
To Be Published
5QTP
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BU of 5qtp by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with AE-0227
分子名称: 1,2-ETHANEDIOL, 8-chloro-6-(trifluoromethyl)imidazo[1,2-a]pyridine-7-carbonitrile, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2019-08-14
公開日2019-12-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.73 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QTR
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BU of 5qtr by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-3764
分子名称: 1,2-ETHANEDIOL, 6-fluoroquinazolin-4(3H)-one, MAGNESIUM ION, ...
著者Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2019-10-31
公開日2019-12-25
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
5QTM
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BU of 5qtm by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with FS-2639
分子名称: 1,2-ETHANEDIOL, 7-fluoroquinazolin-4(3H)-one, ADP-sugar pyrophosphatase, ...
著者Dubianok, Y, Krojer, T, Kovacs, H, Moriaud, F, Wright, N, Strain-Damerell, C, Burgess-Brown, N, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2019-08-14
公開日2019-12-25
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRJ
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BU of 5qrj by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z416341642
分子名称: (2R)-N,2-dimethyl-N-(propan-2-yl)morpholine-4-sulfonamide, CADMIUM ION, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Fernandez-Cid, A, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-07-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.81 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QSA
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BU of 5qsa by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434778
分子名称: 2-(trifluoromethoxy)benzoic acid, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-05-25
公開日2019-08-21
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
5QP0
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BU of 5qp0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z454376544
分子名称: 1,2-ETHANEDIOL, ACETATE ION, DCP2 (NUDT20), ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QP4
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BU of 5qp4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z450133538
分子名称: 1,2-ETHANEDIOL, 1-[(3S)-1,1-dioxo-1lambda~6~-thiolan-3-yl]-N-[(4-fluorophenyl)methyl]-5-methyl-1H-pyrazole-4-carboxamide, ACETATE ION, ...
著者Nelson, E.R, Velupillai, S, Talon, R, Collins, P.M, Krojer, T, Wang, D, Brandao-Neto, J, Douangamath, A, Burgess-Brown, N, Arrowsmith, C.H, Bountra, C, Huber, K, von Delft, F.
登録日2019-02-22
公開日2019-05-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q1O
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BU of 5q1o by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000478a
分子名称: 2-(4-methylpiperazin-1-yl)-1,3-benzothiazole, 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 (1.25 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q26
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BU of 5q26 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A in complex with FMOPL000710a
分子名称: 2-methoxy-~{N}-(2,4,6-trimethylphenyl)ethanamide, 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 (1.66 Å)
主引用文献PanDDA analysis group deposition
To Be Published

222415

件を2024-07-10に公開中

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