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PDB: 4174 件
5QI6
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BU of 5qi6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human PARP14 Macrodomain 3 in complex with FMOPL000597a
分子名称: 4-[(5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]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 (1.1 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
5QID
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BU of 5qid by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of HAO1 in complex with Z1787627869
分子名称: 5-chloranyl-~{N}-methyl-~{N}-[[(3~{S})-oxolan-3-yl]methyl]pyrimidin-4-amine, FLAVIN MONONUCLEOTIDE, Hydroxyacid oxidase 1
著者MacKinnon, S, Bezerra, G.A, Krojer, T, Bradley, A.R, Talon, R, Brandao-Neto, J, Douangamath, A, von Delft, F, Arrowsmith, C.H, Edwards, A, Bountra, C, Oppermann, U, Brennan, P.E, Yue, W.W.
登録日2018-05-22
公開日2018-07-18
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.45 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
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
5QIT
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BU of 5qit by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102821
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(E)-(3-methylphenyl)methylidene]acetamide, ...
著者Sethi, R, Douangamath, A, Resnick, E, Bradley, A.R, Collins, P, Brandao-Neto, J, Talon, R, Krojer, T, Bountra, C, Arrowsmith, C.H, Edwards, A, London, N, von Delft, F.
登録日2018-08-10
公開日2019-12-18
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Covalent fragment 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
5QJ9
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BU of 5qj9 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z768399682
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2018-11-12
公開日2018-12-19
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.85 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
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
5QJM
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BU of 5qjm by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z328695024
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 (1.75 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
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
5QK2
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BU of 5qk2 by Molmil
PanDDA analysis group deposition of models with modelled events (e.g. bound ligands) -- Crystal Structure of NUDT5 in complex with Z54628578
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 (1.65 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
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
5Q6O
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BU of 5q6o by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 161)
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 (1.4 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q6Z
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BU of 5q6z by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 172)
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 (1.62 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q7B
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BU of 5q7b by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 184)
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 (1.25 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q7S
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BU of 5q7s by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 201)
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 (1.31 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q8C
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BU of 5q8c by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 221)
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 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q8Q
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BU of 5q8q by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 236)
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 (1.89 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q96
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BU of 5q96 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 252)
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 (1.83 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5Q9M
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BU of 5q9m by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCLRE1A after initial refinement with no ligand modelled (structure 268)
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 (1.3 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QOI
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BU of 5qoi by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with FMOPL000213a
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 (1.99 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QP9
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BU of 5qp9 by Molmil
PanDDA analysis group deposition -- Crystal Structure of DCP2 (NUDT20) in complex with Z100435060
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 (1.72 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QQR
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BU of 5qqr by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z1171217421
分子名称: 1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperazine, 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 (1.46 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QR6
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BU of 5qr6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of human ALAS2A in complex with Z44567722
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 (1.52 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5QRM
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BU of 5qrm by Molmil
PanDDA analysis group deposition -- Crystal Structure of human Brachyury in complex with Z1899842917
分子名称: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one, 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 (1.55 Å)
主引用文献PanDDA analysis group deposition
To Be Published

224004

件を2024-08-21に公開中

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