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PDB: 4186 件
5QJG
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BU of 5qjg by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z44567722
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
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2024-10-30
実験手法X-RAY DIFFRACTION (1.57 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QJV
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BU of 5qjv by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z281802060
分子名称: 1,2-ETHANEDIOL, 4-methoxy-N-methylpyrimidin-2-amine, 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2024-10-30
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QH4
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BU of 5qh4 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000220a
分子名称: 2-(3-methoxyphenyl)-N-(1,2-oxazol-3-yl)acetamide, ACETATE ION, DIMETHYL SULFOXIDE, ...
著者Krojer, T, Talon, R, Fairhead, M, Diaz Saez, L, Bradley, A.R, Aimon, A, Collins, P, Brandao-Neto, J, Douangamath, A, Ruda, G.F, Szommer, T, Srikannathasan, V, Elkins, J, Spencer, J, London, N, Nelson, A, Brennan, P.E, Huber, K, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2018-05-15
公開日2019-03-27
最終更新日2023-11-15
実験手法X-RAY DIFFRACTION (1.67 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHJ
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PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000709a
分子名称: (2S)-1-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}propan-2-ol, 1,2-ETHANEDIOL, IODIDE ION, ...
著者Pinkas, D.M, Bufton, J.C, Fox, A.E, Talon, R, Krojer, T, Douangamath, A, Collins, P, Zhang, R, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Bullock, A.N.
登録日2018-05-18
公開日2018-12-19
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QKB
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BU of 5qkb by Molmil
Ground-state model of NUDT5 and corresponding apo datasets for PanDDA analysis
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
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2018-12-07
公開日2020-04-29
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献PanDDA analysis group deposition of ground-state model
To Be Published
5QI3
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BU of 5qi3 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000475a
分子名称: CHLORIDE ION, DIMETHYL SULFOXIDE, Poly [ADP-ribose] polymerase 14, ...
著者Schuller, M, Talon, R, Krojer, T, Brandao-Neto, J, Douangamath, A, Zhang, R, von Delft, F, Schuler, H, Kessler, B, Knapp, S, Bountra, C, Arrowsmith, C.H, Edwards, A, Elkins, J.
登録日2018-05-21
公開日2019-04-10
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.05 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QJF
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BU of 5qjf by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z52425517
分子名称: 1,2-ETHANEDIOL, ADP-sugar pyrophosphatase, CHLORIDE ION, ...
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2024-10-30
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QJU
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BU of 5qju by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z906021418
分子名称: 1,2-ETHANEDIOL, 5-chloro-2-(propan-2-yl)pyrimidine-4-carboxamide, 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2024-10-30
実験手法X-RAY DIFFRACTION (1.77 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QKA
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BU of 5qka by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z2377835233
分子名称: 1,2-ETHANEDIOL, 1-methyl-3-[(3R)-piperidin-3-yl]-1H-pyrazole-4-carboxamide, 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2024-10-30
実験手法X-RAY DIFFRACTION (1.55 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QOK
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BU of 5qok by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000294a
分子名称: 1,2-ETHANEDIOL, 8-[(dimethylamino)methyl]-4-methyl-7-oxidanyl-chromen-2-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 (2.28 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QQE
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BU of 5qqe by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-531-494
分子名称: 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[(3S)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butyl]urea, ...
著者Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
登録日2019-05-03
公開日2019-12-18
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
5QQQ
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BU of 5qqq by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z2856434857
分子名称: 3-[(thiomorpholin-4-yl)methyl]phenol, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRA
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BU of 5qra by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1101755952
分子名称: 5-aminolevulinate synthase, erythroid-specific, mitochondrial, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QS7
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BU of 5qs7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z32327641
分子名称: T-box transcription factor T, [4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
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 (1.66 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QSL
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BU of 5qsl by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1273312153
分子名称: CADMIUM ION, N-methyl-1H-indole-7-carboxamide, 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 (2.2 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QOS
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BU of 5qos by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z1187701032
分子名称: (3S)-N-(pyrimidin-2-yl)azepan-3-amine, 1,2-ETHANEDIOL, 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 (1.7 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QSY
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BU of 5qsy by Molmil
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z755044716
分子名称: Cohesin subunit SA-1, N-ethyl-1H-1,2,3-triazole-4-carboxamide
著者Newman, J.A, Katis, V.L, Gavard, A.E, 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 (2.4 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QQK
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BU of 5qqk by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-359-835
分子名称: 1,2-ETHANEDIOL, Kalirin, N-{1-[2-(diethylamino)ethyl]-1H-indol-5-yl}-N'-(5-methyl-1,2-oxazol-3-yl)urea, ...
著者Gray, J.L, Krojer, T, Talon, R, Douangamath, A, Jimenez Antunez, C, Bountra, C, Arrowsmith, C.H, Edwards, A, Brennan, P.E, von Delft, F.
登録日2019-05-03
公開日2019-12-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.24 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QQW
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BU of 5qqw by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z136583524
分子名称: 2-methyl-N-(pyridin-4-yl)furan-3-carboxamide, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRC
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BU of 5qrc by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z31721798
分子名称: 3-cyclohexyl-1-(morpholin-4-yl)propan-1-one, 5-aminolevulinate synthase, erythroid-specific, ...
著者Bezerra, G.A, Foster, W, Bailey, H, Shrestha, L, Krojer, T, Talon, R, Brandao-Neto, J, Douangamath, A, Nicola, B.B, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Brennan, P.E, Yue, W.W.
登録日2019-05-22
公開日2019-08-07
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
5QS6
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BU of 5qs6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z44592329
分子名称: N-phenyl-N'-pyridin-3-ylurea, T-box transcription factor T
著者Newman, J.A, Gavard, A.E, Sherestha, L, Fernandez-Cid, A, Burgess-Brown, N.A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Gileadi, O.
登録日2019-06-19
公開日2019-08-21
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
5QSK
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BU of 5qsk by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z2856434906
分子名称: (benzyloxy)acetic 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
5QSW
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BU of 5qsw by Molmil
PanDDA analysis group deposition -- Crystal Structure of human STAG1 in complex with Z2856434884
分子名称: 1-[4-(3-phenylpropyl)piperazin-1-yl]ethan-1-one, Cohesin subunit SA-1
著者Newman, J.A, Katis, V.L, Gavard, A.E, 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 (3.03 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q6K
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BU of 5q6k by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 157)
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 (1.67 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q75
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BU of 5q75 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 178)
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 (1.36 Å)
主引用文献PanDDA analysis group deposition
To Be Published

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件を2024-11-06に公開中

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