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5QRN
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BU of 5qrn by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z54226006
分子名称: (2,6-difluorophenyl)(pyrrolidin-1-yl)methanone, 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 (1.62 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QGO
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BU of 5qgo by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with OX-220
分子名称: (3aR,4R,6R,7R,8aR)-6-phenyloctahydro-1H-3a,7-epiminocyclohepta[c]pyrrol-4-ol, 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 (1.82 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QS1
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BU of 5qs1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1954800564
分子名称: 5-methoxy-1,3-benzothiazol-2-amine, 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 (1.66 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QGZ
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BU of 5qgz by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000161
分子名称: ACETATE ION, DIMETHYL SULFOXIDE, N-(3-chlorophenyl)-2-(4-fluorophenyl)acetamide, ...
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 (1.65 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QSI
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BU of 5qsi by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury G177D variant in complex with Z933326822
分子名称: 3-(benzyloxy)aniline, 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 (1.64 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QHF
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BU of 5qhf by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with NUOOA000301a
分子名称: 2-(4-methoxyphenyl)-N-{5-[2-oxo-2-(3-oxopiperazin-1-yl)ethoxy]pyridin-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
5QHT
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BU of 5qht by Molmil
PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000065a
分子名称: 2-methoxy-4-morpholin-4-yl-aniline, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
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
To Be Published
5QHB
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BU of 5qhb by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT7 in complex with RK4-332
分子名称: 1-(4'-methyl[1,1'-biphenyl]-2-yl)pyrrolidin-2-one, 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 (1.57 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QHR
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BU of 5qhr by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of human FAM83B in complex with FMOPL000635a
分子名称: 1,2-ETHANEDIOL, N-(3-fluorophenyl)-5-methyl-1,3,4-thiadiazol-2-amine, Protein FAM83B
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
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
5QI8
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BU of 5qi8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000605a
分子名称: 4-(5-amino-1,3,4-thiadiazol-2-yl)phenol, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
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 (1.09 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QI2
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BU of 5qi2 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 FMOPL000110a
分子名称: 1-methyl-3-[3-(2-methylpyrimidin-4-yl)phenyl]urea, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
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 (1.08 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QJC
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BU of 5qjc by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z755044716
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2024-03-06
実験手法X-RAY DIFFRACTION (1.47 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QJH
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BU of 5qjh by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z375990520
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2024-03-06
実験手法X-RAY DIFFRACTION (2.03 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QJN
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BU of 5qjn by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z1439422127
分子名称: (2S,3R)-2,3-dimethyl-4-(3-methyl-1,2,4-thiadiazol-5-yl)morpholine, 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2018-11-12
公開日2018-12-19
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 models with modelled events (e.g. bound ligands)
To Be Published
5QJW
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BU of 5qjw by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z198194396
分子名称: 1,2-ETHANEDIOL, 4-(furan-2-carbonyl)piperazine-1-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2024-03-06
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
5QK4
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BU of 5qk4 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z44590919
分子名称: 1,2-ETHANEDIOL, 4-acetyl-N-ethylpiperazine-1-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2024-03-06
実験手法X-RAY DIFFRACTION (1.62 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QON
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BU of 5qon by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000446a
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 (1.8 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QOZ
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BU of 5qoz by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with PB1787571279
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2019-03-21
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
5QQL
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BU of 5qql by Molmil
PanDDA analysis group deposition -- Crystal Structure of Kalirin/Rac1 in complex with MolPort-009-565-301
分子名称: 1,2-ETHANEDIOL, Kalirin, N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]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 (2.25 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QQX
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BU of 5qqx by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z373768900
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 (1.5 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QQZ
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BU of 5qqz by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1675346324
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 (1.55 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRD
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BU of 5qrd by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1328968520
分子名称: 4-[(2-methylsulfonylimidazol-1-yl)methyl]-1,3-thiazole, 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 (1.76 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRF
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BU of 5qrf by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z373768900
分子名称: CADMIUM ION, N-(1-ethyl-1H-pyrazol-4-yl)cyclobutanecarboxamide, 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 (2.03 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QS2
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BU of 5qs2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z291279160
分子名称: 1-[2-(trifluoromethyloxy)phenyl]thiourea, 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 (1.68 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QIA
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BU of 5qia 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 FMOPL000242a
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 (1.14 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published

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件を2024-07-17に公開中

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