6WAV
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![BU of 6wav by Molmil](/molmil-images/mine/6wav) | Crystal structure of PHF1 in complex with H3K36me3 substitution | Descriptor: | Histone H3.1, PHD finger protein 1, SULFATE ION, ... | Authors: | Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-26 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19. Elife, 9, 2020
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6WAT
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![BU of 6wat by Molmil](/molmil-images/mine/6wat) | complex structure of PHF1 | Descriptor: | Histone H3.1t peptide, PHD finger protein 1, UNKNOWN ATOM OR ION | Authors: | Dong, C, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J.R, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-26 | Release date: | 2020-08-26 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structural basis for histone variant H3tK27me3 recognition by PHF1 and PHF19. Elife, 9, 2020
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4BKW
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![BU of 4bkw by Molmil](/molmil-images/mine/4bkw) | Crystal structure of the C-terminal region of human ZFYVE9 | Descriptor: | 1,2-ETHANEDIOL, TETRAETHYLENE GLYCOL, ZINC FINGER FYVE DOMAIN-CONTAINING PROTEIN 9 | Authors: | Williams, E, Krojer, T, Vollmar, M, Shrestha, L, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A. | Deposit date: | 2013-04-30 | Release date: | 2013-05-15 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.53 Å) | Cite: | Crystal Structure of the C-Terminal Region of Human Zfyve9 Ph D Thesis, 2013
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4ATM
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![BU of 4atm by Molmil](/molmil-images/mine/4atm) | Crystal structure of the BAR domain of human Amphiphysin, isoform 1 at 1.8 Angstrom resolution featuring increased order at the N- terminus. | Descriptor: | 1,2-ETHANEDIOL, AMPHIPHYSIN, GLYCEROL | Authors: | Allerston, C.K, Krojer, T, Arrowsmith, C.H, Weigelt, J, Edwards, A, Bountra, C, von Delft, F, Gileadi, O. | Deposit date: | 2012-05-08 | Release date: | 2012-05-30 | Last modified: | 2023-12-20 | Method: | X-RAY DIFFRACTION (1.783 Å) | Cite: | Crystal Structure of the Bar Domain of Human Amphiphysin, Isoform 1 To be Published
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4XUA
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![BU of 4xua by Molmil](/molmil-images/mine/4xua) | Crystal Structure of the bromodomain of human BAZ2B in complex with E11919 BAZ2-ICR analogue | Descriptor: | 1,2-ETHANEDIOL, 4-{1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-4-phenyl-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-01-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B. J.Med.Chem., 58, 2015
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4XUB
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![BU of 4xub by Molmil](/molmil-images/mine/4xub) | Crystal Structure of the bromodomain of human BAZ2B in complex with BAZ2-ICR chemical probe | Descriptor: | 1,2-ETHANEDIOL, 4-{4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(4-methyl-1H-1,2,3-triazol-1-yl)ethyl]-1H-imidazol-5-yl}benzonitrile, Bromodomain adjacent to zinc finger domain protein 2B | Authors: | Chaikuad, A, Felletar, I, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-01-25 | Release date: | 2015-03-11 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.98 Å) | Cite: | Structure Enabled Design of BAZ2-ICR, A Chemical Probe Targeting the Bromodomains of BAZ2A and BAZ2B. J.Med.Chem., 58, 2015
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7ZEJ
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![BU of 7zej by Molmil](/molmil-images/mine/7zej) | Crystal structure of the human MGC45594 gene product in complex with celecoxib. | Descriptor: | 4-[5-(4-METHYLPHENYL)-3-(TRIFLUOROMETHYL)-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Prostaglandin reductase 3 | Authors: | Shafqat, N, Yue, W.W, Koekemoer, L, Niesen, F, Ugochukwu, E, Vollmar, M, Weigelt, J, Krojer, T, Pike, A, Chaikaud, A, Von Delft, F, Arrowsmith, C, Bountra, C, Edwards, A, Opperman, U, Structural Genomics Consortium (SGC) | Deposit date: | 2022-03-31 | Release date: | 2022-05-04 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Human prostaglandin/alkenal reductases: substrate specificities, inhibitor profiles, structural insights and subcellular localization suggest protective roles in inflammatory and oxidative stress conditions. To Be Published
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6UE6
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![BU of 6ue6 by Molmil](/molmil-images/mine/6ue6) | PWWP1 domain of NSD2 in complex with MR837 | Descriptor: | 4-cyano-N-cyclopropyl-N-[(thiophen-2-yl)methyl]benzamide, Histone-lysine N-methyltransferase NSD2, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, De Freitas, R.F, Schapira, M, Brown, P.J, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-09-20 | Release date: | 2019-11-13 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.4 Å) | Cite: | Discovery of Small-Molecule Antagonists of the PWWP Domain of NSD2. J.Med.Chem., 64, 2021
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6V2S
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![BU of 6v2s by Molmil](/molmil-images/mine/6v2s) | Crystal Structure of chromodomain of MPP8 in complex with inhibitor UNC3866 | Descriptor: | M-phase phosphoprotein 8, UNC3866, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Walker, J.R, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-25 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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6V2R
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![BU of 6v2r by Molmil](/molmil-images/mine/6v2r) | Crystal Structure of chromodomain of CBX7 mutant V13A in complex with inhibitor UNC3866 | Descriptor: | Chromobox protein homolog 7, UNC3866, UNKNOWN ATOM OR ION | Authors: | Liu, Y, Tempel, W, Walker, J.R, Stuckey, J.I, Dickson, B.M, James, L.I, Frye, S.V, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-25 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.6 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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6V3N
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![BU of 6v3n by Molmil](/molmil-images/mine/6v3n) | Crystal structure of CDYL2 in complex with H3K27me3 | Descriptor: | ACE-GLN-LEU-ALA-THR-LYS-ALA-ALA-ARG-M3L-SER-ALA-PRO-ALA-THR-TYR-NH2, Chromodomain Y-like protein 2, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-26 | Release date: | 2020-04-01 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.7 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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6V2D
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![BU of 6v2d by Molmil](/molmil-images/mine/6v2d) | Crystal Structure of chromodomain of CDYL2 in complex with inhibitor UNC3866 | Descriptor: | Chromodomain Y-like protein 2, UNC3866, 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: | 2019-11-22 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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6V41
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![BU of 6v41 by Molmil](/molmil-images/mine/6v41) | crystal structure of CDY1 chromodomain bound to H3K9me3 | Descriptor: | Histone H3.1 Peptide, Testis-specific chromodomain protein Y 1, UNKNOWN ATOM OR ION | Authors: | Qin, S, Tempel, W, Walker, J.R, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-11-27 | Release date: | 2019-12-25 | Last modified: | 2023-10-11 | Method: | X-RAY DIFFRACTION (1.603 Å) | Cite: | Structural Basis for the Binding Selectivity of Human CDY Chromodomains. Cell Chem Biol, 27, 2020
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8OTV
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![BU of 8otv by Molmil](/molmil-images/mine/8otv) | Crystal structure of NUDT14 complexed with novel compound | Descriptor: | 1-(1-methylpiperidin-4-yl)-3-(4-phenoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine, DIMETHYL SULFOXIDE, MAGNESIUM ION, ... | Authors: | Balikci, E, Feyerherm, C, Bradshaw, W, Seupel, R, Brennan, P.E, Bountra, C, von Delft, F, Huber, K, Structural Genomics Consortium (SGC) | Deposit date: | 2023-04-21 | Release date: | 2024-05-01 | Last modified: | 2024-05-22 | Method: | X-RAY DIFFRACTION (1.82 Å) | Cite: | Unexpected Noncovalent Off-Target Activity of Clinical BTK Inhibitors Leads to Discovery of a Dual NUDT5/14 Antagonist. J.Med.Chem., 67, 2024
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6OAW
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![BU of 6oaw by Molmil](/molmil-images/mine/6oaw) | Crystal structure of a CRISPR Cas-related protein | Descriptor: | UNKNOWN ATOM OR ION, WYL1 | Authors: | Zhang, H, Dong, C, Li, L, Tempel, W, Bountra, C, Arrowsmith, C.H, Edwards, A.M, Min, J, Structural Genomics Consortium, Structural Genomics Consortium (SGC) | Deposit date: | 2019-03-18 | Release date: | 2019-04-10 | Last modified: | 2019-06-12 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Structural insights into the modulatory role of the accessory protein WYL1 in the Type VI-D CRISPR-Cas system. Nucleic Acids Res., 47, 2019
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6Q94
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![BU of 6q94 by Molmil](/molmil-images/mine/6q94) | Crystal structure of human GDP-D-mannose 4,6-dehydratase (S156D) in complex with GDP-Man | Descriptor: | 1,2-ETHANEDIOL, GDP-mannose 4,6 dehydratase, GUANOSINE-5'-DIPHOSPHATE-ALPHA-D-MANNOSE, ... | Authors: | Pfeiffer, M, Krojer, T, Johansson, C, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Nidetzky, B, Oppermann, U, Structural Genomics Consortium (SGC) | Deposit date: | 2018-12-17 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | X-RAY DIFFRACTION (2.8 Å) | Cite: | A Parsimonious Mechanism of Sugar Dehydration by Human GDP-Mannose-4,6-dehydratase. Acs Catalysis, 9, 2019
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6W6D
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![BU of 6w6d by Molmil](/molmil-images/mine/6w6d) | Crystal Structure of Human Protein arginine N-methyltransferase 6 (PRMT6) in complex with SGC6870 inhibitor | Descriptor: | (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one, Protein arginine N-methyltransferase 6, S-ADENOSYL-L-HOMOCYSTEINE | Authors: | Halabelian, L, Zeng, H, Dong, A, Jin, J, Shen, Y, Kaniskan, H.U, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Brown, P.J, Structural Genomics Consortium (SGC) | Deposit date: | 2020-03-16 | Release date: | 2020-04-29 | Last modified: | 2023-10-18 | Method: | X-RAY DIFFRACTION (1.91 Å) | Cite: | A First-in-Class, Highly Selective and Cell-Active Allosteric Inhibitor of Protein Arginine Methyltransferase 6. J.Med.Chem., 64, 2021
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4YLJ
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![BU of 4ylj by Molmil](/molmil-images/mine/4ylj) | Crystal structure of DYRK1A in complex with 10-Iodo-substituted 11H-indolo[3,2-c]quinoline-6-carboxylic acid inhibitor 5j | Descriptor: | 10-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, SULFATE ION, ... | Authors: | Chaikuad, A, Falke, H, Nowak, R, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (2.58 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
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4YLL
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![BU of 4yll by Molmil](/molmil-images/mine/4yll) | Crystal structure of DYRK1AA in complex with 10-Bromo-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5t | Descriptor: | 1,2-ETHANEDIOL, 10-bromo-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
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4Y8D
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![BU of 4y8d by Molmil](/molmil-images/mine/4y8d) | Crystal structure of Cyclin-G associated kinase (GAK) complexed with selective 12i inhibitor | Descriptor: | 1,2-ETHANEDIOL, 2-methoxy-4-[3-(morpholin-4-yl)[1,2]thiazolo[4,3-b]pyridin-6-yl]aniline, Cyclin-G-associated kinase, ... | Authors: | Chaikuad, A, Heroven, C, Nowak, R, De Jonghe, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-02-16 | Release date: | 2015-04-08 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Selective Inhibitors of Cyclin G Associated Kinase (GAK) as Anti-Hepatitis C Agents. J.Med.Chem., 58, 2015
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4Z6I
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![BU of 4z6i by Molmil](/molmil-images/mine/4z6i) | Crystal structure of BRD9 bromodomain in complex with a substituted valerolactam quinolone ligand | Descriptor: | Bromodomain-containing protein 9, tert-butyl [(2R,3S)-1-(1,4-dimethyl-2-oxo-1,2-dihydroquinolin-7-yl)-6-oxo-2-phenylpiperidin-3-yl]carbamate | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Newman, J.A, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-04-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.95 Å) | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. Angew.Chem.Int.Ed.Engl., 54, 2015
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4YLK
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![BU of 4ylk by Molmil](/molmil-images/mine/4ylk) | Crystal structure of DYRK1A in complex with 10-Chloro-substituted 11H-indolo[3,2-c]quinolone-6-carboxylic acid inhibitor 5s | Descriptor: | 1,2-ETHANEDIOL, 10-chloro-2-iodo-11H-indolo[3,2-c]quinoline-6-carboxylic acid, Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ... | Authors: | Chaikuad, A, Falke, H, Krojer, T, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Kunick, C, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-05 | Release date: | 2015-03-25 | Last modified: | 2023-11-15 | Method: | X-RAY DIFFRACTION (1.4 Å) | Cite: | 10-Iodo-11H-indolo[3,2-c]quinoline-6-carboxylic Acids Are Selective Inhibitors of DYRK1A. J.Med.Chem., 58, 2015
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4ZQL
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![BU of 4zql by Molmil](/molmil-images/mine/4zql) | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor | Descriptor: | 3,4-dimethoxy-N-[6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl]benzenesulfonamide, DIMETHYL SULFOXIDE, PENTAETHYLENE GLYCOL, ... | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-05-10 | Release date: | 2015-06-17 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Crystal structure of TRIM24 with 3,4-dimethoxy-N-(6-(4-methoxyphenoxy)-1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-5-yl)benzenesulfonamide inhibitor To Be Published
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4Z3C
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![BU of 4z3c by Molmil](/molmil-images/mine/4z3c) | Zinc finger region of human TET3 in complex with CpG DNA | Descriptor: | DNA (5'-D(*GP*CP*CP*AP*AP*CP*GP*TP*TP*GP*GP*C)-3'), Methylcytosine dioxygenase, UNKNOWN ATOM OR ION, ... | Authors: | Liu, K, Xu, C, Tempel, W, Dong, A, Arrowsmith, C.H, Bountra, C, Edwards, A.M, Min, J, Structural Genomics Consortium (SGC) | Deposit date: | 2015-03-31 | Release date: | 2015-04-29 | Last modified: | 2023-09-27 | Method: | X-RAY DIFFRACTION (1.57 Å) | Cite: | DNA Sequence Recognition of Human CXXC Domains and Their Structural Determinants. Structure, 2017
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4Z6H
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![BU of 4z6h by Molmil](/molmil-images/mine/4z6h) | Crystal structure of BRD9 bromodomain in complex with a valerolactam quinolone ligand | Descriptor: | 1,4-dimethyl-7-(2-oxopiperidin-1-yl)quinolin-2(1H)-one, Bromodomain-containing protein 9 | Authors: | Tallant, C, Structural Genomics Consortium (SGC), Clark, P.G.K, Vieira, L.C.C, Krojer, T, Nunez-Alonso, G, Picaud, S, Fedorov, O, Dixon, D.J, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Brennan, P.E, Knapp, S. | Deposit date: | 2015-04-05 | Release date: | 2015-05-20 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | LP99: Discovery and Synthesis of the First Selective BRD7/9 Bromodomain Inhibitor. Angew.Chem.Int.Ed.Engl., 54, 2015
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