PDB: 31171 件ウェブページステータス検索Chemie searchBIRD

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5OXH	C-terminally retracted ubiquitin T66V/L67N mutant 分子名称: SULFATE ION, Ubiquitin T66V/L67N mutant 著者 Gladkova, C, Schubert, A.F, Wagstaff, J.L, Pruneda, J.P, Freund, S.M.V, Komander, D. 登録日 2017-09-06 公開日 2017-11-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 An invisible ubiquitin conformation is required for efficient phosphorylation by PINK1. EMBO J., 36, 2017
5OXS	Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand Salmonella enterica Minnesota R5 oligosaccharide 分子名称: CALCIUM ION, Pulmonary surfactant-associated protein D, alpha-D-glucopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid 著者 Shrive, A.K, Greenhough, T.J. 登録日 2017-09-07 公開日 2018-06-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Structural definition of hSP-D recognition of Salmonella enterica LPS inner core oligosaccharides reveals alternative binding modes for the same LPS. PLoS ONE, 13, 2018
5OY6	Crystal structure of the ACVR1 (ALK2) kinase in complex with cyclical inhibitor OD36. 分子名称: 1,2-ETHANEDIOL, Activin receptor type-1, cyclical inhibitor OD36 著者 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. 登録日 2017-09-07 公開日 2017-09-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.56 Å) 主引用文献 Establishment and characterization of endothelial colony forming cells as a surrogate model for Fibrodysplasia Ossificans Progressiva To Be Published
5ORH	The crystal structure of CK2alpha in complex with compound 2 分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(2-methylphenyl)phenyl]methanamine 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-16 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5ORM	Crystal structure of designed cPPR-Telo1 分子名称: cPPR-Telo1 著者 Spahr, H, Rackham, O. 登録日 2017-08-16 公開日 2018-06-20 実験手法 X-RAY DIFFRACTION (2.08 Å) 主引用文献 Modular ssDNA binding and inhibition of telomerase activity by designer PPR proteins. Nat Commun, 9, 2018
5OYK	Outer-membrane expressed OmpT of Vibrio cholerae 分子名称: Gram-negative porin family protein 著者 van den berg, B, Pathania, M. 登録日 2017-09-11 公開日 2018-04-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.2 Å) 主引用文献 Unusual Constriction Zones in the Major Porins OmpU and OmpT from Vibrio cholerae. Structure, 26, 2018
5OSC	GLIC-GABAAR alpha1 chimera crystallized in complex with pregnenolone sulfate at pH 4.5 分子名称: ACETATE ION, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... 著者 Laverty, D.C, Gold, M.G, Smart, T.G. 登録日 2017-08-17 公開日 2017-10-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites. Nat. Struct. Mol. Biol., 24, 2017
5OV8	Crystal structure of the human BRPF1 bromodomain in complex with BZ097 分子名称: NITRATE ION, Peregrin, ~{N}-[1,4-dimethyl-2,3-bis(oxidanylidene)-7-pyrrolidin-1-yl-quinoxalin-6-yl]-4-(2-methylpropyl)benzenesulfonamide 著者 Zhu, J, Caflisch, A. 登録日 2017-08-28 公開日 2018-06-27 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-based discovery of selective BRPF1 bromodomain inhibitors. Eur J Med Chem, 155, 2018
5OVR	X-Ray Characterization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors 分子名称: Tyrosine-protein phosphatase non-receptor type 5, [(~{S})-[4-[3-[(~{R})-(3,4-dichlorophenyl)-oxidanyl-methyl]phenyl]phenyl]-oxidanyl-methyl]phosphonic acid 著者 Kack, H, Wissler, L. 登録日 2017-08-29 公開日 2017-11-22 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 X-ray Characterization and Structure-Based Optimization of Striatal-Enriched Protein Tyrosine Phosphatase Inhibitors. J. Med. Chem., 60, 2017
5OY1	Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with DMSO 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Ramirez-Escudero, M, Sanz-Aparicio, J. 登録日 2017-09-07 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.43 Å) 主引用文献 Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase. Acs Chem.Biol., 13, 2018
5OYF	The crystal structure of CK2alpha in complex with compound 31 分子名称: 2-(1~{H}-benzimidazol-2-yl)-~{N}-[[4-(2-ethylphenyl)-3-methyl-phenyl]methyl]ethanamine, ACETATE ION, Casein kinase II subunit alpha 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-09-08 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OSA	GLIC-GABAAR alpha1 chimera crystallized at pH4.6 分子名称: ACETATE ION, CHLORIDE ION, CHOLESTEROL HEMISUCCINATE, ... 著者 Laverty, D.C, Gold, M.G, Smart, T.G. 登録日 2017-08-17 公開日 2017-10-11 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.75000238 Å) 主引用文献 Crystal structures of a GABAA-receptor chimera reveal new endogenous neurosteroid-binding sites. Nat. Struct. Mol. Biol., 24, 2017
5OTJ	Monomeric polcalcin (Phl p 7) in complex with two identical allergen-specific antibodies 分子名称: 1,2-ETHANEDIOL, 102.1F10 Fab heavy chain, 102.1F10 Fab light chain, ... 著者 Mitropoulou, A.N, Davies, A.M, Beavil, A.J, McDonnell, J.M, Sutton, B.J. 登録日 2017-08-22 公開日 2018-09-05 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 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
5OQT	Crystal structure of a bacterial cationic amino acid transporter (CAT) homologue 分子名称: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, ACETATE ION, ALANINE, ... 著者 Jungnickel, K.E.J, Newstead, S. 登録日 2017-08-14 公開日 2018-02-14 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.86 Å) 主引用文献 Structural basis for amino acid transport by the CAT family of SLC7 transporters. Nat Commun, 9, 2018
5OU1	M. thermoresistible IMPDH in complex with IMP and Compound 1 (7759844) 分子名称: (2~{S})-~{N}-(4-iodophenyl)-2-(4-methoxyphenoxy)propanamide, INOSINIC ACID, Inosine-5'-monophosphate dehydrogenase,Inosine-5'-monophosphate dehydrogenase 著者 Ascher, D.B, Pacitto, A, Blundell, T.L. 登録日 2017-08-23 公開日 2018-03-28 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.78 Å) 主引用文献 Fragment-Based Approach to Targeting Inosine-5'-monophosphate Dehydrogenase (IMPDH) from Mycobacterium tuberculosis. J. Med. Chem., 61, 2018
5OQU	The crystal structure of CK2alpha in complex with compound 5 分子名称: ACETATE ION, ADENOSINE-5'-DIPHOSPHATE, CHLORIDE ION, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-14 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.324 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OUE	The crystal structure of CK2alpha in complex with compound 20 分子名称: (3-chloranyl-4-phenyl-phenyl)methyl-[2-(1~{H}-imidazol-4-yl)ethyl]azanium, 3-methyl-5-oxidanyl-benzoic acid, ACETATE ION, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-23 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.01 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OUL	The crystal structure of CK2alpha in complex with compound 9 分子名称: ACETATE ION, Casein kinase II subunit alpha, [3-chloranyl-4-(3-fluorophenyl)phenyl]methanamine, ... 著者 Brear, P, De Fusco, C, Iegre, J, Yoshida, M, Mitchell, S, Rossmann, M, Carro, L, Sore, H, Hyvonen, M, Spring, D. 登録日 2017-08-24 公開日 2018-02-28 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.34 Å) 主引用文献 Second-generation CK2 alpha inhibitors targeting the alpha D pocket. Chem Sci, 9, 2018
5OWB	Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004 分子名称: 4-methyl-6-oxidanyl-1-benzofuran-3-one, NITRATE ION, Peregrin 著者 Zhu, J, Spiliotopoulos, D, Caflisch, A. 登録日 2017-08-31 公開日 2018-07-18 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Crystal structure of the human BRPF1 bromodomain in complex with DSPBP1004 To Be Published
5OWH	High salt structure of human protein kinase CK2alpha in complex with 3-aminopropyl-4,5,6,7-tetrabromobenzimidazol 分子名称: 3-[4,5,6,7-tetrakis(bromanyl)benzimidazol-1-yl]propan-1-amine, CHLORIDE ION, Casein kinase II subunit alpha 著者 Niefind, K, Bretner, M, Chojnacki, C. 登録日 2017-09-01 公開日 2018-07-25 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Biological properties and structural study of new aminoalkyl derivatives of benzimidazole and benzotriazole, dual inhibitors of CK2 and PIM1 kinases. Bioorg. Chem., 80, 2018
5OWW	Crystal structure of human BRD4(1) bromodomain in complex with UT22B 分子名称: Bromodomain-containing protein 4, ~{N}-(3-methylbenzotriazol-5-yl)-1-(phenylmethyl)imidazole-2-carboxamide 著者 Zhu, J, Caflisch, A. 登録日 2017-09-04 公開日 2018-10-10 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Chemical Space Expansion of Bromodomain Ligands Guided by in Silico Virtual Couplings (AutoCouple). Acs Cent.Sci., 4, 2018
5OXR	Crystal structure of human lung surfactant protein D trimeric fragment with bound ligand Salmonella enterica Minnesota R7 oligosaccharide 分子名称: CALCIUM ION, L-glycero-alpha-D-manno-heptopyranose-(1-3)-L-glycero-alpha-D-manno-heptopyranose-(1-5)-4,7-anhydro-3-deoxy-D-gluco-oct-2-ulosonic acid, Pulmonary surfactant-associated protein D 著者 Shrive, A.K, Greenhough, T.J. 登録日 2017-09-07 公開日 2018-06-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural definition of hSP-D recognition of Salmonella enterica LPS inner core oligosaccharides reveals alternative binding modes for the same LPS. PLoS ONE, 13, 2018
5OY2	Direct-evolutioned unspecific peroxygenase from Agrocybe aegerita, in complex with DMP 分子名称: 2,6-dimethoxyphenol, 2-acetamido-2-deoxy-beta-D-glucopyranose, CHLORIDE ION, ... 著者 Ramirez-Escudero, M, Sanz-Aparicio, J. 登録日 2017-09-07 公開日 2019-04-17 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.36 Å) 主引用文献 Structural Insights into the Substrate Promiscuity of a Laboratory-Evolved Peroxygenase. Acs Chem.Biol., 13, 2018
5OY3	The structural basis of the histone demethylase KDM6B histone 3 lysine 27 specificity 分子名称: 1,2-ETHANEDIOL, 2-OXOGLUTARIC ACID, FE (III) ION, ... 著者 Jones, S.E, Olsen, L, Gajhede, M. 登録日 2017-09-07 公開日 2017-09-20 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.136 Å) 主引用文献 Structural Basis of Histone Demethylase KDM6B Histone 3 Lysine 27 Specificity. Biochemistry, 57, 2018
5OYE	GH5 endo-xyloglucanase from Cellvibrio japonicus 分子名称: CHLORIDE ION, Cellulase, putative, ... 著者 Attia, M, Nelson, C.E, Offen, W.A, Jain, N, Gardner, J.G, Davies, G.J, Brumer, H. 登録日 2017-09-08 公開日 2018-02-07 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 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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