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5PT6
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BU of 5pt6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 150)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PQJ
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BU of 5pqj by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 56)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.59 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PTK
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BU of 5ptk by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 162)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PR0
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BU of 5pr0 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 73)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PU6
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BU of 5pu6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 184)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.74 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PUL
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BU of 5pul by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 199)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PRI
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BU of 5pri by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 90)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PV2
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BU of 5pv2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 216)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5ORP
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BU of 5orp by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 1-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]-1,4-diazepane, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (2.19 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OS1
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BU of 5os1 by Molmil
Crystal structure of Aurora-A kinase in complex with an allosterically binding fragment
分子名称: 6-ethoxy-2-methyl-1,3-benzothiazole, ADENOSINE-5'-DIPHOSPHATE, Aurora kinase A, ...
著者McIntyre, P.J, Collins, P.M, von Delft, F, Bayliss, R.
登録日2017-08-16
公開日2017-11-01
最終更新日2017-11-29
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Characterization of Three Druggable Hot-Spots in the Aurora-A/TPX2 Interaction Using Biochemical, Biophysical, and Fragment-Based Approaches.
ACS Chem. Biol., 12, 2017
5OVB
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BU of 5ovb by Molmil
Crystal structure of human BRD4(1) bromodomain in complex with DR46
分子名称: Bromodomain-containing protein 4, ~{N}-[3-(5-ethanoyl-2-ethoxy-phenyl)-5-(1-methylpyrazol-3-yl)phenyl]furan-2-carboxamide
著者Zhu, J, Caflisch, A.
登録日2017-08-28
公開日2018-10-10
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
5ONE
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BU of 5one by Molmil
Crystal structure of Aurora-A in complex with FMF-03-145-1 (compound 2)
分子名称: 4-(propanoylamino)-~{N}-[4-[(5,8,11-trimethyl-6-oxidanylidene-pyrimido[4,5-b][1,4]benzodiazepin-2-yl)amino]phenyl]benzamide, Aurora kinase A
著者Chaikuad, A, Ferguson, F.M, Gray, N.S, Knapp, S.
登録日2017-08-03
公開日2017-09-06
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Characterization of a highly selective inhibitor of the Aurora kinases.
Bioorg. Med. Chem. Lett., 27, 2017
5QTS
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BU of 5qts by Molmil
PanDDA analysis group deposition -- Crystal Structure of NUDT5 in complex with 8J-537S
分子名称: 1,2-ETHANEDIOL, 3-methyl-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidin-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 (1.85 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5PO1
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BU of 5po1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10152a
分子名称: 1,2-ETHANEDIOL, 5-methyl-N-[(thiophen-2-yl)methyl]-1,2-oxazol-3-amine, Bromodomain-containing protein 1, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.517 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5POK
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BU of 5pok by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10908a
分子名称: 1,2-ETHANEDIOL, 1-(4-phenylpiperazin-1-yl)ethan-1-one, Bromodomain-containing protein 1, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.56 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5POX
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BU of 5pox by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N11075a
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION, ...
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-15
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PPE
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BU of 5ppe by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 14)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PPK
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BU of 5ppk by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 21)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.87 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PPU
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BU of 5ppu by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 31)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PQ4
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BU of 5pq4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 41)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.63 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PQG
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BU of 5pqg by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 53)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.82 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PQT
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BU of 5pqt by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 66)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.89 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PRB
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BU of 5prb by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 84)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.23 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PRQ
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BU of 5prq by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 97)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PS8
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BU of 5ps8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 116)
分子名称: 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM ION
著者Pearce, N.M, Krojer, T, Talon, R, Bradley, A.R, Fairhead, M, Sethi, R, Wright, N, MacLean, E, Collins, P, Brandao-Neto, J, Douangamath, A, Renjie, Z, Dias, A, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
登録日2017-02-07
公開日2017-03-29
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.93 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017

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