2VX2
| Crystal structure of human enoyl Coenzyme A hydratase domain- containing protein 3 (ECHDC3) | Descriptor: | ENOYL-COA HYDRATASE DOMAIN-CONTAINING PROTEIN 3 | Authors: | Yue, W.W, Guo, K, Kochan, G, Pilka, E, Murray, J.W, Salah, E, Cocking, R, Sun, Z, Roos, A.K, Pike, A.C.W, Filippakopoulos, P, Arrowsmith, C, Wikstrom, M, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2008-06-30 | Release date: | 2008-10-14 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.3 Å) | Cite: | Crystal Structure of Human Enoyl Coenzyme a Hydratase Domain-Containing Protein 3 (Echdc3) To be Published
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2VUW
| Structure of human haspin kinase domain | Descriptor: | (2R,3R,4S,5R)-2-(4-AMINO-5-IODO-7H-PYRROLO[2,3-D]PYRIMIDIN-7-YL)-5-(HYDROXYMETHYL)TETRAHYDROFURAN-3,4-DIOL, (4S)-2-METHYL-2,4-PENTANEDIOL, DIMETHYL SULFOXIDE, ... | Authors: | Eswaran, J, Murray, J.W, Filippakopoulos, P, Soundararajan, M, Pike, A.C.W, von Delft, F, Picaud, S, Keates, T, King, O, Wickstroem, M, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Fedorov, O, Burgess-Brown, N, Bray, J, Knapp, S. | Deposit date: | 2008-05-30 | Release date: | 2008-09-16 | Last modified: | 2024-05-01 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Structure and Functional Characterization of the Atypical Human Kinase Haspin. Proc.Natl.Acad.Sci.USA, 106, 2009
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2WM8
| Crystal structure of human magnesium-dependent phosphatase 1 of the haloacid dehalogenase superfamily (MGC5987) | Descriptor: | 1,2-ETHANEDIOL, MAGNESIUM-DEPENDENT PHOSPHATASE 1 | Authors: | Yue, W.W, Shafqat, N, Pike, A.C.W, Chaikuad, A, Bray, J.E, Pilka, E.W, Burgess-Brown, N, Hapka, E, Filippakopoulos, P, von Delft, F, Arrowsmith, C, Weigelt, J, Edwards, A, Bountra, C, Oppermann, U. | Deposit date: | 2009-06-30 | Release date: | 2009-07-28 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (1.75 Å) | Cite: | Crystal Structure of Human Magnesium-Dependent Phosphatase 1 of the Haloacid Dehalogenase Superfamily (Mgc5987) To be Published
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2WU6
| Crystal Structure of the Human CLK3 in complex with DKI | Descriptor: | 1,2-ETHANEDIOL, 5-AMINO-3-{[4-(AMINOSULFONYL)PHENYL]AMINO}-N-(2,6-DIFLUOROPHENYL)-1H-1,2,4-TRIAZOLE-1-CARBOTHIOAMIDE, CHLORIDE ION, ... | Authors: | Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Philips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2009-09-30 | Release date: | 2009-10-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.92 Å) | Cite: | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing. Chem.Biol, 18, 2011
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2VN8
| Crystal structure of human Reticulon 4 interacting protein 1 in complex with NADPH | Descriptor: | CITRIC ACID, GLYCEROL, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | Authors: | Pike, A.C.W, Guo, K, Elkins, J, Ugochukwu, E, Roos, A.K, Filippakopoulos, P, von Delft, F, Edwards, A, Arrowsmith, C.H, Weigelt, J, Bountra, C, Oppermann, U. | Deposit date: | 2008-01-31 | Release date: | 2008-03-18 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.1 Å) | Cite: | Crystal Structure of Human Reticulon 4 Interacting Protein 1 in Complex with Nadph To be Published
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2WU7
| Crystal Structure of the Human CLK3 in complex with V25 | Descriptor: | CHLORIDE ION, DUAL SPECIFICITY PROTEIN KINASE CLK3, SULFATE ION, ... | Authors: | Muniz, J.R.C, Fedorov, O, King, O, Filippakopoulos, P, Bullock, A.N, Phillips, C, Heightman, T, Ugochukwu, E, von Delft, F, Arrowsmith, C.H, Bracher, F, Huber, K, Edwards, A.M, Weigelt, J, Bountra, C, Knapp, S. | Deposit date: | 2009-09-30 | Release date: | 2009-10-20 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (2.25 Å) | Cite: | Specific Clk Inhibitors from a Novel Chemotype for Regulation of Alternative Splicing. Chem.Biol, 18, 2011
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5TB6
| Structure of bromodomain of CREBBP with a pyrazolo[4,3-c]pyridin fragment | Descriptor: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, CREB-binding protein | Authors: | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-11 | Release date: | 2016-10-12 | Last modified: | 2024-01-17 | Method: | X-RAY DIFFRACTION (1.79 Å) | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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5LUU
| Structure of the first bromodomain of BRD4 with a pyrazolo[4,3-c]pyridin fragment | Descriptor: | 1,2-ETHANEDIOL, 1-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)propan-1-one, Bromodomain-containing protein 4 | Authors: | Filippakopoulos, P, Picaud, S, Knapp, S, von Delft, F, Bountra, C, Arrowsmith, C.H, Edwards, A, Structural Genomics Consortium (SGC) | Deposit date: | 2016-09-11 | Release date: | 2016-10-12 | Last modified: | 2024-05-08 | Method: | X-RAY DIFFRACTION (1.61 Å) | Cite: | Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening. ACS Med Chem Lett, 7, 2016
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2V24
| Structure of the human SPRY domain-containing SOCS box protein SSB-4 | Descriptor: | NICKEL (II) ION, SPRY DOMAIN-CONTAINING SOCS BOX PROTEIN 4 | Authors: | Uppenberg, J, Bullock, A, Keates, T, Savitsky, P, Pike, A.C.W, Ugochukwu, E, Bunkoczi, G, von Delft, F, Weigelt, J, Arrowsmith, C.H, Edwards, A, Sundstrom, M, Knapp, S. | Deposit date: | 2007-05-31 | Release date: | 2007-07-17 | Last modified: | 2023-12-13 | Method: | X-RAY DIFFRACTION (2.2 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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5HRW
| Crystal structure of the fifth bromodomain of human PB1 in complex with 1-propylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | Descriptor: | 1,2-ETHANEDIOL, 1-propylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1, ... | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | Deposit date: | 2016-01-24 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.8 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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6WKN
| PL-bound rat TRPV2 in nanodiscs | Descriptor: | Transient receptor potential cation channel subfamily V member 2, piperlongumine | Authors: | Pumroy, R.P, Moiseenkova-Bell, V.Y. | Deposit date: | 2020-04-16 | Release date: | 2021-04-21 | Last modified: | 2024-03-06 | Method: | ELECTRON MICROSCOPY (3.46 Å) | Cite: | Allosteric Antagonist Modulation of TRPV2 by Piperlongumine Impairs Glioblastoma Progression. Acs Cent.Sci., 7, 2021
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3LM0
| Crystal Structure of human Serine/Threonine Kinase 17B (STK17B) | Descriptor: | 1,2-ETHANEDIOL, CHLORIDE ION, Serine/threonine-protein kinase 17B, ... | Authors: | Ugochukwu, E, Soundararajan, M, Rellos, P, Fedorov, O, Phillips, C, Wang, J, Hapka, E, Filippakopoulos, P, Chaikuad, A, Pike, A.C.W, von Delft, F, Bountra, C, Arrowsmith, C.H, Weigelt, J, Edwards, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2010-01-29 | Release date: | 2010-03-16 | Last modified: | 2023-09-06 | Method: | X-RAY DIFFRACTION (2.35 Å) | Cite: |
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6R1T
| Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 1, free nuclesome | Descriptor: | DNA (147-MER), HISTONE H2A, Histone H2A, ... | Authors: | Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A. | Deposit date: | 2019-03-15 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.02 Å) | Cite: | A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex. Cell Rep, 27, 2019
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6R1U
| Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 2 | Descriptor: | DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, Histone H2A, ... | Authors: | Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A. | Deposit date: | 2019-03-15 | Release date: | 2019-04-24 | Last modified: | 2024-05-15 | Method: | ELECTRON MICROSCOPY (4.36 Å) | Cite: | A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex. Cell Rep, 27, 2019
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6R25
| Structure of LSD2/NPAC-linker/nucleosome core particle complex: Class 3 | Descriptor: | DNA (147-MER), FLAVIN-ADENINE DINUCLEOTIDE, H2B, ... | Authors: | Marabelli, C, Pilotto, S, Chittori, S, Subramaniam, S, Mattevi, A. | Deposit date: | 2019-03-15 | Release date: | 2019-04-24 | Method: | ELECTRON MICROSCOPY (4.61 Å) | Cite: | A Tail-Based Mechanism Drives Nucleosome Demethylation by the LSD2/NPAC Multimeric Complex. Cell Rep, 27, 2019
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7OG0
| Nontypeable Haemophillus influenzae SapA in open and closed conformations, in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.61 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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7OFZ
| Nontypeable Haemophillus influenzae SapA in complex with double stranded RNA | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.62 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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7OFW
| Nontypeable Haemophillus influenzae SapA in complex with heme | Descriptor: | ABC-type transport system, periplasmic component, involved in antimicrobial peptide resistance, ... | Authors: | Lukacik, P, Owen, C.D, Nettleship, J.E, Bird, L.E, Owens, R.J, Walsh, M.A. | Deposit date: | 2021-05-05 | Release date: | 2021-10-27 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (3.15 Å) | Cite: | The structure of nontypeable Haemophilus influenzae SapA in a closed conformation reveals a constricted ligand-binding cavity and a novel RNA binding motif. Plos One, 16, 2021
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6BW3
| Crystal structure of RBBP4 in complex with PRDM3 N-terminal peptide | Descriptor: | Histone-binding protein RBBP4, MDS1 and EVI1 complex locus protein MDS1, UNKNOWN ATOM OR ION | Authors: | Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-12-14 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2.2 Å) | Cite: | Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex. Nucleic Acids Res., 47, 2019
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6BW4
| Crystal structure of RBBP4 in complex with PRDM16 N-terminal peptide | Descriptor: | Histone-binding protein RBBP4, PR domain zinc finger protein 16, UNKNOWN ATOM OR ION | Authors: | Ivanochko, D, Halabelian, L, Hutchinson, A, Seitova, A, Bountra, C, Edwards, A.M, Arrowsmith, C.H, Structural Genomics Consortium (SGC) | Deposit date: | 2017-12-14 | Release date: | 2017-12-27 | Last modified: | 2023-10-04 | Method: | X-RAY DIFFRACTION (2 Å) | Cite: | Direct interaction between the PRDM3 and PRDM16 tumor suppressors and the NuRD chromatin remodeling complex. Nucleic Acids Res., 47, 2019
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5TWH
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5TWG
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5HRV
| Crystal structure of the fifth bromodomain of human PB1 in complex with 1-ethylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | Descriptor: | 1,2-ETHANEDIOL, 1-ethylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | Deposit date: | 2016-01-24 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.7 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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7AK3
| CLK1 bound with CAF052 | Descriptor: | Dual specificity protein kinase CLK1, ~{N}-[3-fluoranyl-4-(4-methylpiperazin-1-yl)phenyl]-4-pyrazolo[1,5-b]pyridazin-3-yl-pyrimidin-2-amine | Authors: | Schroeder, M, Chaikuad, A, Knapp, S, Structural Genomics Consortium (SGC) | Deposit date: | 2020-09-29 | Release date: | 2020-11-11 | Last modified: | 2024-01-31 | Method: | X-RAY DIFFRACTION (2.5 Å) | Cite: | Crystal Structure and Inhibitor Identifications Reveal Targeting Opportunity for the Atypical MAPK Kinase ERK3. Int J Mol Sci, 21, 2020
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5HRX
| Crystal structure of the fifth bromodomain of human PB1 in complex with 1-butylisochromeno[3,4-c]pyrazol-5(2H)-one) compound | Descriptor: | 1,2-ETHANEDIOL, 1-butylisochromeno[3,4-c]pyrazol-5(3H)-one, Protein polybromo-1 | Authors: | Tallant, C, Myrianthopoulos, V, Gaboriaud-Kolar, N, Newman, J.A, Picaud, S, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Mikros, E, Knapp, S. | Deposit date: | 2016-01-24 | Release date: | 2016-10-12 | Last modified: | 2024-01-10 | Method: | X-RAY DIFFRACTION (1.73 Å) | Cite: | Discovery and Optimization of a Selective Ligand for the Switch/Sucrose Nonfermenting-Related Bromodomains of Polybromo Protein-1 by the Use of Virtual Screening and Hydration Analysis. J.Med.Chem., 59, 2016
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