5FDX
 
 | | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution. | | Descriptor: | 1,2-ETHANEDIOL, 3-[(4-methylpiperazin-1-yl)methyl]-~{N}-[(4~{R})-4-methyl-2-pyrimidin-5-yl-3,4-dihydro-1~{H}-isoquinolin-7-yl]-5-(trifluoromethyl)benzamide, DI(HYDROXYETHYL)ETHER, ... | | Authors: | Bartual, S.G, Pinkas, D.M, Wang, Z, Ding, K, Mahajan, P, Kupinska, K, Mukhopadhyay, S, Strain-Damerell, C, Chalk, R, Borkowska, O, Talon, R, Kopec, J, Williams, E, Tallant, C, Chaikuad, A, Sorell, F, Newman, J, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2015-12-16 | | Release date: | 2016-10-26 | | Last modified: | 2024-10-09 | | Method: | X-RAY DIFFRACTION (2.65 Å) | | Cite: | Structure of DDR1 receptor tyrosine kinase in complex with D2164 inhibitor at 2.65 Angstroms resolution.
To Be Published
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8A10
 | | Crystal Structure of human Brachyury G177D variant in complex with Molpolrt-020-049-143 | | Descriptor: | 5-[[(3S)-1-(2-chlorophenyl)-2-oxidanylidene-pyrrolidin-3-yl]amino]-2-methyl-benzamide, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | | Deposit date: | 2022-05-30 | | Release date: | 2022-07-13 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.88 Å) | | Cite: | Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.
Nat Commun, 16, 2025
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7ZKF
 | | Crystal Structure of human Brachyury G177D variant in complex with CF-5-86 | | Descriptor: | N-(4-((2-fluorophenyl)(hydroxy)methyl)phenyl)acetamide, PHOSPHATE ION, T-box transcription factor T | | Authors: | Newman, J.A, Gavard, A, Aitkenhead, H, Imprachim, N, Sherestha, L, Burgess-Brown, N.A, von Delft, F, Bountra, C, Gileadi, O. | | Deposit date: | 2022-04-12 | | Release date: | 2022-06-22 | | Last modified: | 2025-02-26 | | Method: | X-RAY DIFFRACTION (1.49 Å) | | Cite: | Structural insights into human brachyury DNA recognition and discovery of progressible binders for cancer therapy.
Nat Commun, 16, 2025
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4A35
 | | Crystal structure of human Mitochondrial enolase superfamily member 1 (ENOSF1) | | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM ION, MITOCHONDRIAL ENOLASE SUPERFAMILY MEMBER 1 | | Authors: | Muniz, J.R.C, Froese, D.S, Krojer, T, Vollmar, M, Canning, P, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Oppermann, U, Yue, W.W. | | Deposit date: | 2011-09-30 | | Release date: | 2011-10-12 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.74 Å) | | Cite: | Enzymatic and structural characterization of rTS gamma provides insights into the function of rTS beta.
Biochemistry, 53, 2014
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6BHG
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Dong, A, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-12-06 | | Last modified: | 2024-10-23 | | Method: | X-RAY DIFFRACTION (1.45 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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6BHI
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.4 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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6BHD
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SODIUM ION, ... | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-12-06 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.25 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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3KCZ
 | | Human poly(ADP-ribose) polymerase 2, catalytic fragment in complex with an inhibitor 3-aminobenzamide | | Descriptor: | 3-aminobenzamide, GLYCEROL, Poly [ADP-ribose] polymerase 2 | | Authors: | Karlberg, T, Schutz, P, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Flodin, S, Flores, A, Graslund, S, Hammarstrom, M, Johansson, A, Johansson, I, Kallas, A, Kotenyova, T, Kotzsch, A, Kraulis, P, Nielsen, T.K, Moche, M, Nordlund, P, Nyman, T, Persson, C, Roos, A.K, Siponen, M.I, Thorsell, A.G, Tresaugues, L, Van Den Berg, S, Weigelt, J, Welin, M, Wisniewska, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2009-10-22 | | Release date: | 2009-11-10 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Crystal structure of the catalytic domain of human PARP2 in complex with PARP inhibitor ABT-888.
Biochemistry, 49, 2010
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3EMW
 | | Crystal Structure of human splA/ryanodine receptor domain and SOCS box containing 2 (SPSB2) in complex with a 20-residue VASA peptide | | Descriptor: | 1,2-ETHANEDIOL, Peptide (VASA), SPRY domain-containing SOCS box protein 2 | | Authors: | Filippakopoulos, P, Sharpe, T, Keates, T, Murray, J.W, Savitsky, P, Roos, A.K, Pike, A.C.W, Von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S, Bullock, A, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-09-25 | | Release date: | 2008-10-28 | | Last modified: | 2023-11-01 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structural basis for Par-4 recognition by the SPRY domain- and SOCS box-containing proteins SPSB1, SPSB2, and SPSB4.
J.Mol.Biol., 401, 2010
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6BHE
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, UNKNOWN ATOM OR ION | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-12-06 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.35 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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6BPH
 | | Crystal structure of the chromodomain of RBBP1 | | Descriptor: | AT-rich interactive domain-containing protein 4A, UNKNOWN ATOM OR ION | | Authors: | Liu, Y, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-11-23 | | Release date: | 2017-12-20 | | Last modified: | 2024-11-06 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | Crystal structure of chromo barrel domain of RBBP1.
Biochem. Biophys. Res. Commun., 496, 2018
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6BHH
 | | Crystal structure of SETDB1 with a modified H3 peptide | | Descriptor: | Histone H3.1, Histone-lysine N-methyltransferase SETDB1, SULFATE ION, ... | | Authors: | Qin, S, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | | Deposit date: | 2017-10-30 | | Release date: | 2017-11-22 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (1.85 Å) | | Cite: | H3K14ac is linked to methylation of H3K9 by the triple Tudor domain of SETDB1.
Nat Commun, 8, 2017
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3Q6Z
 | | HUman PARP14 (ARTD8)-Macro domain 1 in complex with adenosine-5-diphosphoribose | | Descriptor: | ADENOSINE-5-DIPHOSPHORIBOSE, Poly [ADP-ribose] polymerase 14 | | Authors: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-01-04 | | Release date: | 2011-02-09 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.23 Å) | | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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3LQ3
 | | Crystal structure of human choline kinase beta in complex with phosphorylated hemicholinium-3 and adenosine nucleotide | | Descriptor: | (2S)-2-[4'-({dimethyl[2-(phosphonooxy)ethyl]ammonio}acetyl)biphenyl-4-yl]-2-hydroxy-4,4-dimethylmorpholin-4-ium, ADENOSINE MONOPHOSPHATE, ADENOSINE-5'-DIPHOSPHATE, ... | | Authors: | Hong, B.S, Tempel, W, Rabeh, W.M, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H.W, Structural Genomics Consortium (SGC) | | Deposit date: | 2010-02-08 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.42 Å) | | Cite: | Crystal structures of human choline kinase isoforms in complex with hemicholinium-3: single amino acid near the active site influences inhibitor sensitivity.
J.Biol.Chem., 285, 2010
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3Q71
 | | Human parp14 (artd8) - macro domain 2 in complex with adenosine-5-diphosphoribose | | Descriptor: | Poly [ADP-ribose] polymerase 14, [(2R,3S,4R,5R)-5-(6-AMINOPURIN-9-YL)-3,4-DIHYDROXY-OXOLAN-2-YL]METHYL [HYDROXY-[[(2R,3S,4R,5S)-3,4,5-TRIHYDROXYOXOLAN-2-YL]METHOXY]PHOSPHORYL] HYDROGEN PHOSPHATE | | Authors: | Karlberg, T, Siponen, M.I, Arrowsmith, C.H, Berglund, H, Bountra, C, Collins, R, Edwards, A.M, Ekblad, T, Flodin, S, Flores, A, Graslund, S, Kotenyova, T, Kouznetsova, E, Moche, M, Nordlund, P, Nyman, T, Persson, C, Sehic, A, Thorsell, A.G, Tresaugues, L, Wahlberg, E, Weigelt, J, Welin, M, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-01-04 | | Release date: | 2011-01-26 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Recognition of Mono-ADP-Ribosylated ARTD10 Substrates by ARTD8 Macrodomains.
Structure, 21, 2013
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3FEH
 | | Crystal structure of full length centaurin alpha-1 | | Descriptor: | Centaurin-alpha-1, UNKNOWN ATOM OR ION, ZINC ION | | Authors: | Shen, L, Tong, Y, Tempel, W, MacKenzie, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Weigelt, J, Bochkarev, A, Park, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-11-29 | | Release date: | 2008-12-23 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Phosphorylation-independent dual-site binding of the FHA domain of KIF13 mediates phosphoinositide transport via centaurin {alpha}1.
Proc.Natl.Acad.Sci.USA, 107, 2010
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3SMI
 | | Human poly(ADP-ribose) polymerase 14 (Parp14/Artd8) - catalytic domain in complex with a quinazoline inhibitor | | Descriptor: | 2-{[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]methyl}-8-methylquinazolin-4(3H)-one, Poly [ADP-ribose] polymerase 14 | | Authors: | Karlberg, T, Moche, M, Arrowsmith, C.H, Berglund, H, Bountra, C, Edwards, A.M, Ekblad, T, Graslund, S, Kouznetsova, E, Nordlund, P, Nyman, T, Thorsell, A.G, Tresaugues, L, Weigelt, J, Schuler, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2011-06-28 | | Release date: | 2011-07-20 | | Last modified: | 2024-10-16 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Family-wide chemical profiling and structural analysis of PARP and tankyrase inhibitors.
Nat.Biotechnol., 30, 2012
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3DM1
 | | Crystal structure of the complex of human chromobox homolog 3 (CBX3) with peptide | | Descriptor: | Chromobox protein homolog 3, Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | | Authors: | Amaya, M.F, Ravichandran, M, Loppnau, P, Kozieradzki, I, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Bountra, C, Bochkarev, A, Min, J, Ouyang, H, Structural Genomics Consortium (SGC) | | Deposit date: | 2008-06-30 | | Release date: | 2008-08-19 | | Last modified: | 2025-03-26 | | Method: | X-RAY DIFFRACTION (2.4 Å) | | Cite: | Structural basis of the chromodomain of Cbx3 bound to methylated peptides from histone h1 and G9a.
Plos One, 7, 2012
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5PNL
 | | PanDDA analysis group deposition -- Crystal Structure of JMJD2D after initial refinement with no ligand modelled (structure 215) | | 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 (1.44 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5PNX
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10128a | | Descriptor: | 1,2-ETHANEDIOL, 5-methyl-1,2-oxazol-3-amine, Bromodomain-containing protein 1, ... | | 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, Ng, J, Brennan, P.E, Cox, O, 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
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5PGC
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 176) | | 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 (1.61 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5PGP
 | | PanDDA analysis group deposition -- Crystal Structure of BAZ2B after initial refinement with no ligand modelled (structure 188) | | 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
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5PO8
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N07808b | | Descriptor: | 1,2-ETHANEDIOL, 6-amino-1-methyl-3,4-dihydroquinolin-2(1H)-one, Bromodomain-containing protein 1, ... | | 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, Ng, J, Brennan, P.E, Cox, O, 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 (1.5 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5POS
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 in complex with N10919a | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, N-[(4-methoxyphenyl)methyl]acetamide, ... | | 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, Ng, J, Brennan, P.E, Cox, O, 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 (1.75 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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5PP3
 | | PanDDA analysis group deposition -- Crystal Structure of BRD1 after initial refinement with no ligand modelled (structure 3) | | Descriptor: | 1,2-ETHANEDIOL, Bromodomain-containing protein 1, SODIUM 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, Ng, J, Brennan, P.E, Cox, O, Bountra, C, Arrowsmith, C.H, Edwards, A, von Delft, F. | | Deposit date: | 2017-02-07 | | Release date: | 2017-03-29 | | Last modified: | 2024-03-06 | | Method: | X-RAY DIFFRACTION (2.58 Å) | | Cite: | A multi-crystal method for extracting obscured crystallographic states from conventionally uninterpretable electron density.
Nat Commun, 8, 2017
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