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PDB: 1527 results

2W69
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BU of 2w69 by Molmil
Influenza polymerase fragment
Descriptor: MANGANESE (II) ION, POLYMERASE ACIDIC PROTEIN, SULFATE ION
Authors:Dias, A, Bouvier, D, Crepin, T, McCarthy, A.A, Hart, D.J, Baudin, F, Cusack, S, Ruigrok, R.W.H.
Deposit date:2008-12-17
Release date:2009-02-03
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The CAP-Snatching Endonuclease of Influenza Virus Polymerase Resides in the Pa Subunit
Nature, 458, 2009
7N7Y
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BU of 7n7y by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z18197050
Descriptor: Uridylate-specific endoribonuclease, methyl 4-sulfamoylbenzoate
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.09 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N83
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Crystal Structure of SARS-CoV-2 NendoU in complex with Z2443429438
Descriptor: (3S)-1-(phenylsulfonyl)pyrrolidin-3-amine, CITRIC ACID, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-12
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7W
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BU of 7n7w by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with CSC000178569
Descriptor: N-(2-fluorophenyl)-N'-methylurea, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.42 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7R
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BU of 7n7r by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with Z2472938267
Descriptor: 1-[2-(2-oxidanylidenepyrrolidin-1-yl)ethyl]-3-phenyl-urea, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7N7U
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BU of 7n7u by Molmil
Crystal Structure of SARS-CoV-2 NendoU in complex with LIZA-7
Descriptor: 1-[(2~{R},4~{S},5~{R})-5-[[(azanylidene-$l^{4}-azanylidene)amino]methyl]-4-oxidanyl-oxolan-2-yl]-5-methyl-pyrimidine-2,4-dione, Uridylate-specific endoribonuclease
Authors:Godoy, A.S, Douangamath, A, Nakamura, A.M, Dias, A, Krojer, T, Noske, G.D, Gawiljuk, V.O, Fernandes, R.S, Fairhead, M, Powell, A, Dunnet, L, Aimon, A, Fearon, D, Brandao-Neto, J, Skyner, R, von Delft, F, Oliva, G.
Deposit date:2021-06-11
Release date:2021-09-08
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Allosteric regulation and crystallographic fragment screening of SARS-CoV-2 NSP15 endoribonuclease.
Nucleic Acids Res., 51, 2023
7NW2
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BU of 7nw2 by Molmil
Crystal Structure of SARS-CoV-2 main protease in complex with LON-WEI-adc59df6-47
Descriptor: 3C-like proteinase, CHLORIDE ION, DIMETHYL SULFOXIDE, ...
Authors:Fearon, D, Douangamath, A, Aimon, A, Brandao-Neto, J, Dias, A, Dunnett, L, Gehrtz, P, Gorrie-Stone, T.J, Lukacik, P, Powell, A.J, Skyner, R, Strain-Damerell, C.M, Zaidman, D, London, N, Walsh, M.A, von Delft, F, Covid Moonshot Consortium
Deposit date:2021-03-16
Release date:2021-07-07
Last modified:2024-01-31
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:An automatic pipeline for the design of irreversible derivatives identifies a potent SARS-CoV-2 M pro inhibitor.
Cell Chem Biol, 28, 2021
5PC4
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BU of 5pc4 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 25)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors: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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PCR
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BU of 5pcr by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 48)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors: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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PDA
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BU of 5pda by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 66)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors: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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.77 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PDO
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BU of 5pdo by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 81)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors: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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.78 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PE3
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BU of 5pe3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 96)
Descriptor: 1,2-ETHANEDIOL, Bromodomain adjacent to zinc finger domain protein 2B
Authors: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, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F.
Deposit date:2017-02-03
Release date:2017-03-22
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PH1
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BU of 5ph1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09449a
Descriptor: 1,2-ETHANEDIOL, 6-fluoro-1,3-benzothiazol-2-amine, Lysine-specific demethylase 4D, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.249 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PHI
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BU of 5phi by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D in complex with N09480a
Descriptor: 1,2-ETHANEDIOL, 2-methyl-1~{H}-benzimidazole, Lysine-specific demethylase 4D, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.971 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PHS
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BU of 5phs by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 5)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PI8
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BU of 5pi8 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 21)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.27 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PIK
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BU of 5pik by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 33)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PJ1
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BU of 5pj1 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 50)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.35 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PJF
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BU of 5pjf by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 64)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.47 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PJV
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BU of 5pjv by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 80)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.34 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PKB
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BU of 5pkb by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 96)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PKQ
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BU of 5pkq by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 111)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PL6
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BU of 5pl6 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 127)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.29 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PLV
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BU of 5plv by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 152)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.14 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
5PM3
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BU of 5pm3 by Molmil
PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 161)
Descriptor: 1,2-ETHANEDIOL, Lysine-specific demethylase 4D, MAGNESIUM ION, ...
Authors: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.
Deposit date:2017-02-07
Release date:2017-03-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017

221051

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