5OXH
 
 | | C-terminally retracted ubiquitin T66V/L67N mutant | | Descriptor: | SULFATE ION, Ubiquitin T66V/L67N mutant | | Authors: | Gladkova, C, Schubert, A.F, Wagstaff, J.L, Pruneda, J.P, Freund, S.M.V, Komander, D. | | Deposit date: | 2017-09-06 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.601 Å) | | Cite: | An invisible ubiquitin conformation is required for efficient phosphorylation by PINK1.
EMBO J., 36, 2017
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5OXS
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5OY6
 | | Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36. | | Descriptor: | 1,2-ETHANEDIOL, Activin receptor type-1, cyclical inhibitor OD36 | | Authors: | Williams, E.P, Pinkas, D.M, Krojer, T, Kupinska, K, Mahajan, P, Burgess-Brown, N, von Delft, F, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Bullock, A.N. | | Deposit date: | 2017-09-07 | | Release date: | 2017-09-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.56 Å) | | Cite: | Establishment and characterization of endothelial colony forming cells as a surrogate model for Fibrodysplasia Ossificans Progressiva
To Be Published
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5ORH
 | | The crystal structure of CK2alpha in complex with compound 2 | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-16 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.75 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5ORM
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5OYK
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5OSC
 | | GLIC-GABAAR alpha1 chimera crystallized in complex with pregnenolone sulfate at pH 4.5 | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Laverty, D.C, Gold, M.G, Smart, T.G. | | Deposit date: | 2017-08-17 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (3.1 Å) | | Cite: | Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites.
Nat. Struct. Mol. Biol., 24, 2017
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5OV8
 | | Crystal structure of the human BRPF1 bromodomain in complex with BZ097 | | Descriptor: | NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-08-28 | | Release date: | 2018-06-27 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | Structure-based discovery of selective BRPF1 bromodomain inhibitors.
Eur J Med Chem, 155, 2018
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5OVR
 | | X-Ray Characterization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 5, [(~{S})-[4-[3-[(~{R})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid | | Authors: | Kack, H, Wissler, L. | | Deposit date: | 2017-08-29 | | Release date: | 2017-11-22 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.15 Å) | | Cite: | X-ray Characterization and Structure-Based Optimization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors.
J. Med. Chem., 60, 2017
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5OY1
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5OYF
 | | The crystal structure of CK2alpha in complex with compound 31 | | Descriptor: | 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-09-08 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.54 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OSA
 | | GLIC-GABAAR alpha1 chimera crystallized at pH4.6 | | Descriptor: | ACETATE ION, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... | | Authors: | Laverty, D.C, Gold, M.G, Smart, T.G. | | Deposit date: | 2017-08-17 | | Release date: | 2017-10-11 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.75000238 Å) | | Cite: | Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites.
Nat. Struct. Mol. Biol., 24, 2017
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5OTJ
 | | Monomeric polcalcin (Phl p 7) in complex with two identical allergen-specific antibodies | | Descriptor: | 1,2-ETHANEDIOL, 102.1F10 Fab heavy chain, 102.1F10 Fab light chain, ... | | Authors: | Mitropoulou, A.N, Davies, A.M, Beavil, A.J, McDonnell, J.M, Sutton, B.J. | | Deposit date: | 2017-08-22 | | Release date: | 2018-09-05 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.35 Å) | | Cite: | Structure of a patient-derived antibody in complex with allergen reveals simultaneous conventional and superantigen-like recognition.
Proc. Natl. Acad. Sci. U.S.A., 115, 2018
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5OQT
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5OU1
 | | M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844) | | Descriptor: | (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase | | Authors: | Ascher, D.B, Pacitto, A, Blundell, T.L. | | Deposit date: | 2017-08-23 | | Release date: | 2018-03-28 | | Last modified: | 2024-05-08 | | Method: | X-RAY DIFFRACTION (1.78 Å) | | Cite: | Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis.
J. Med. Chem., 61, 2018
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5OQU
 | | The crystal structure of CK2alpha in complex with compound 5 | | Descriptor: | ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-14 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.324 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OUE
 | | The crystal structure of CK2alpha in complex with compound 20 | | Descriptor: | (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium, 3-methyl-5-oxidanyl-benzoic acid, ACETATE ION, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-23 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OUL
 | | The crystal structure of CK2alpha in complex with compound 9 | | Descriptor: | ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine, ... | | Authors: | Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. | | Deposit date: | 2017-08-24 | | Release date: | 2018-02-28 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.34 Å) | | Cite: | Second-generation CK2 alpha inhibitors targeting the alpha D pocket.
Chem Sci, 9, 2018
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5OWB
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5OWH
 | | High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol | | Descriptor: | 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha | | Authors: | Niefind, K, Bretner, M, Chojnacki, C. | | Deposit date: | 2017-09-01 | | Release date: | 2018-07-25 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases.
Bioorg. Chem., 80, 2018
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5OWW
 | | Crystal structure of human BRD4(1) bromodomain in complex with UT22B | | Descriptor: | Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide | | Authors: | Zhu, J, Caflisch, A. | | Deposit date: | 2017-09-04 | | Release date: | 2018-10-10 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.5 Å) | | Cite: | Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple).
Acs Cent.Sci., 4, 2018
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5OXR
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5OY2
 | | Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with DMP | | Descriptor: | 2,6-dimethoxyphenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... | | Authors: | Ramirez-Escudero, M, Sanz-Aparicio, J. | | Deposit date: | 2017-09-07 | | Release date: | 2019-04-17 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.36 Å) | | Cite: | Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase.
Acs Chem.Biol., 13, 2018
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5OY3
 | | The structural basis of the histone demethylase KDM6B histone 3 lysine 27 specificity | | Descriptor: | 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (III) ION, ... | | Authors: | Jones, S.E, Olsen, L, Gajhede, M. | | Deposit date: | 2017-09-07 | | Release date: | 2017-09-20 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (2.136 Å) | | Cite: | Structural Basis of Histone Demethylase KDM6B Histone 3 Lysine 27 Specificity.
Biochemistry, 57, 2018
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5OYE
 | | GH5 endo-xyloglucanase from Cellvibrio japonicus | | Descriptor: | CHLORIDE ION, Cellulase, putative, ... | | Authors: | Attia, M, Nelson, C.E, Offen, W.A, Jain, N, Gardner, J.G, Davies, G.J, Brumer, H. | | Deposit date: | 2017-09-08 | | Release date: | 2018-02-07 | | Last modified: | 2024-01-17 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | In vitro and in vivo characterization of threeCellvibrio japonicusglycoside hydrolase family 5 members reveals potent xyloglucan backbone-cleaving functions.
Biotechnol Biofuels, 11, 2018
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