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PDB: 1315 件
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
5QI1
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BU of 5qi1 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 FMOPL000474a
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
5QIR
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BU of 5qir by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102305
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-fluoro-3-methylphenyl)methyl]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 (1.43 Å)
主引用文献Covalent fragment group deposition
To Be Published
5QHX
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BU of 5qhx 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 FMOPL000278a
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 (1.11 Å)
主引用文献PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)
To Be Published
5QIZ
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BU of 5qiz by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103080
分子名称: N-[(5-chlorothiophen-2-yl)methyl]acetamide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2
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 (1.63 Å)
主引用文献Covalent fragment group deposition
To Be Published
5QIO
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BU of 5qio by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with P11
分子名称: (1S,2S)-N'-(chloroacetyl)-2-phenylcyclopropane-1-carbohydrazide, UNKNOWN LIGAND, Ubiquitin thioesterase OTUB2
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
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.46 Å)
主引用文献Covalent fragment group deposition
To Be Published
5QIS
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BU of 5qis by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102500
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-(5-methyl-1,2-oxazol-3-yl)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 (1.53 Å)
主引用文献Covalent fragment group deposition
To Be Published
5QIP
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BU of 5qip by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102153
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, Ubiquitin thioesterase OTUB2, ...
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 (1.63 Å)
主引用文献Covalent fragment group deposition
To Be Published
5QIV
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BU of 5qiv by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0102998
分子名称: 1,2-ETHANEDIOL, N'-acetyl-2-[(3R)-1,1-dioxo-1lambda~6~-thiolan-3-yl]acetohydrazide, UNKNOWN LIGAND, ...
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 (1.39 Å)
主引用文献Covalent fragment 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
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
5QIQ
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BU of 5qiq by Molmil
Covalent fragment group deposition -- Crystal Structure of OUTB2 in complex with PCM-0103050
分子名称: 1,2-ETHANEDIOL, DI(HYDROXYETHYL)ETHER, N-[(4-bromothiophen-2-yl)methyl]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 (1.44 Å)
主引用文献Covalent fragment group deposition
To Be Published
5R4R
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BU of 5r4r by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-42
分子名称: (5R)-3,3,5-trimethyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
著者Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
登録日2020-02-27
公開日2020-07-08
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
5R4S
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BU of 5r4s by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with EN08775-45
分子名称: (4S,5R)-4-hydroxy-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidin-2-one, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
著者Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
登録日2020-02-27
公開日2020-07-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.61 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R4P
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BU of 5r4p by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with NM450-1
分子名称: (5S)-5-methyl-5-[(1-phenyl-1H-1,2,3-triazol-4-yl)methyl]pyrrolidine-2,4-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
著者Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
登録日2020-02-27
公開日2020-07-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.78 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5R4Q
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BU of 5r4q by Molmil
PanDDA analysis group deposition -- Crystal Structure of HUMAN CLEAVAGE FACTOR IM in complex with NM466-1
分子名称: (3S)-3,4-dimethyl-3-propyl-3,4-dihydro-1H-1,4-benzodiazepine-2,5-dione, ACETATE ION, Cleavage and polyadenylation specificity factor subunit 5, ...
著者Kidd, S.L, Mateu, N, Talon, R, Krojer, T, Aimon, A, Bradley, A.R, Fairhead, M, Diaz-Saez, L, Sore, H.F, Madin, A, Huber, K.V.M, von Delft, F, Spring, D.R.
登録日2020-02-27
公開日2020-07-08
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献PanDDA analysis group deposition
To Be Published
5PMD
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BU of 5pmd by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 171)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM 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, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, 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 (1.63 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PLL
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BU of 5pll by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 142)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM 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, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, 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 (1.28 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PMP
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BU of 5pmp by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 183)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM 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, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, 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 (1.55 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PLU
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BU of 5plu by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 151)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM 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, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, 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 (1.47 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PNF
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BU of 5pnf by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 209)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM 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, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, 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 (1.24 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PM2
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BU of 5pm2 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 160)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM 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, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, 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 (1.52 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PMG
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BU of 5pmg by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 174)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM 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, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, 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 (1.51 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PN1
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BU of 5pn1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 195)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM 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, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, 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 (1.41 Å)
主引用文献A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PNL
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BU of 5pnl by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 215)
分子名称: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM 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, Vollmar, M, Ng, J, Szykowska, A, Burgess-Brown, N, Brennan, P.E, Cox, O, Oppermann, U, 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 (1.44 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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件を2024-06-12に公開中

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