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5QTF
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BU of 5qtf by Molmil
T. brucei FPPS in complex with CID 144539
分子名称: 1-(3-chloro-4-fluorophenyl)methanamine, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.783 Å)
主引用文献T. brucei FPPS in complex with CID 144539
To Be Published
5QTI
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T. brucei FPPS in complex with CID 62483448
分子名称: 3-(2-bromophenoxy)pyridazine, Farnesyl pyrophosphate synthase, GLYCEROL, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.112 Å)
主引用文献T. brucei FPPS in complex with CID 62483448
To Be Published
5QTJ
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T. brucei FPPS in complex with CID 47256035
分子名称: Farnesyl pyrophosphate synthase, GLYCEROL, N-[(2-chloro-6-fluorophenyl)methyl]-N,2-dimethylpyrimidine-4-carboxamide, ...
著者Muenzker, L, Petrick, J.K, Schleberger, C, Cornaciu, I, Marquez, J.A, Jahnke, W.
登録日2019-08-09
公開日2020-10-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (2.101 Å)
主引用文献T. brucei FPPS in complex with CID 47256035
To Be Published
3PA8
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BU of 3pa8 by Molmil
Structure of the C. difficile TcdB cysteine protease domain in complex with a peptide inhibitor
分子名称: CALCIUM ION, INOSITOL HEXAKISPHOSPHATE, N-acetylglycyl-N-[(3S)-1-hydroxy-5-methyl-2-oxohexan-3-yl]-L-serinamide, ...
著者Lupardus, P.J, Garcia, K.C.
登録日2010-10-18
公開日2010-12-15
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Rational design of inhibitors and activity-based probes targeting Clostridium difficile virulence factor TcdB.
Chem.Biol., 17, 2010
3OWN
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BU of 3own by Molmil
Potent macrocyclic renin inhibitors
分子名称: (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, ACETATE ION, ...
著者Borkakoti, N, Derbyshire, D.
登録日2010-09-20
公開日2010-12-15
最終更新日2011-07-13
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Design and synthesis of potent macrocyclic renin inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
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
5PSN
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BU of 5psn by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 131)
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
5PT7
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BU of 5pt7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 151)
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 (1.55 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PTM
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BU of 5ptm by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 164)
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 (1.41 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PU7
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BU of 5pu7 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 185)
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 (1.62 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
3OND
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BU of 3ond by Molmil
Crystal structure of Lupinus luteus S-adenosyl-L-homocysteine hydrolase in complex with adenosine
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, ADENOSINE, Adenosylhomocysteinase, ...
著者Brzezinski, K, Jaskolski, M.
登録日2010-08-28
公開日2011-08-31
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (1.17 Å)
主引用文献High-resolution structures of complexes of plant S-adenosyl-L-homocysteine hydrolase (Lupinus luteus).
Acta Crystallogr.,Sect.D, 68, 2012
5PUR
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BU of 5pur by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 205)
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 (1.73 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PV6
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BU of 5pv6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 220)
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 (1.62 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PVR
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BU of 5pvr by Molmil
PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 242)
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 (1.57 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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