PDB: 17012 件ウェブページステータス検索Chemie searchBIRD

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7NQO	Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 21 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(5-bromanyl-1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... 著者 Selvam, I.R. 登録日 2021-03-01 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
7EMG	Carbonyl Reductase Variant 4 (R123C/L209P/F183Y/V61K) from Serratia marcescens complexed with NADP+ 分子名称: 1,2-ETHANEDIOL, 3-oxoacyl-[acyl-carrier-protein] reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE 著者 Zheng, Y.C, Wang, T, Bai, Y.P. 登録日 2021-04-14 公開日 2021-10-06 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.449 Å) 主引用文献 Stereoselective synthesis of chiral delta-lactones via an engineered carbonyl reductase. Chem.Commun.(Camb.), 57, 2021
7NQN	Mycobacterium tuberculosis Cytochrome P450 CYP121 in complex with lead compound 14 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[4-[2-(1~{H}-indol-3-yl)ethyl]pyrimidin-2-yl]morpholine, CHLORIDE ION, ... 著者 Selvam, I.R. 登録日 2021-03-01 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 A new strategy for hit generation: Novel in cellulo active inhibitors of CYP121A1 from Mycobacterium tuberculosis via a combined X-ray crystallographic and phenotypic screening approach (XP screen). Eur.J.Med.Chem., 230, 2022
7E53	Crystal structure of sfGFP complexed with the nanobody nb2 at 2.2 Angstron resolution 分子名称: Green fluorescent protein, Green fluorescent protein's nanobody nb2 著者 Ding, Y, Zhong, P.Y. 登録日 2021-02-16 公開日 2021-10-13 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.21 Å) 主引用文献 Structural insights into two distinct nanobodies recognizing the same epitope of green fluorescent protein. Biochem.Biophys.Res.Commun., 565, 2021
7DTP	Crystal structure of agmatine coumaroyltransferase from Triticum aestivum 分子名称: agmatine coumaroyltransferase 著者 Yamane, M, Takenoya, M, Sue, M, Yajima, S. 登録日 2021-01-06 公開日 2021-11-17 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Molecular and structural characterization of agmatine coumaroyltransferase in Triticeae, the key regulator of hydroxycinnamic acid amide accumulation. Phytochemistry, 189, 2021
7DU4	The structure of the M.tb MazF-mt9 toxin in complex with a fragment of cognate antitoxin 分子名称: Probable endoribonuclease MazF7, peptide 著者 Xie, W, Chen, R. 登録日 2021-01-08 公開日 2022-01-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.18 Å) 主引用文献 Mechanistic Insight into the Peptide Binding Modes to Two M. tb MazF Toxins. Toxins, 13, 2021
7DV4	Crystal structure of anti-CTLA-4 VH domain in complex with human CTLA-4 分子名称: 1,2-ETHANEDIOL, 4003-1(VH), Cytotoxic T-lymphocyte protein 4 著者 Li, H, Gan, X, He, Y. 登録日 2021-01-12 公開日 2022-01-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.38 Å) 主引用文献 An anti-CTLA-4 heavy chain-only antibody with enhanced T reg depletion shows excellent preclinical efficacy and safety profile. Proc.Natl.Acad.Sci.USA, 119, 2022
7DU5	The structure of the M.tb MazF-mt1 toxin in complex with a fragment of cognate antitoxin 分子名称: A fragment of MazE-mt1, Endoribonuclease MazF9 著者 Xie, W, Chen, R. 登録日 2021-01-08 公開日 2022-01-12 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Mechanistic Insight into the Peptide Binding Modes to Two M. tb MazF Toxins. Toxins, 13, 2021
1MRQ	Crystal structure of human 20alpha-HSD in ternary complex with NADP and 20alpha-hydroxy-progesterone 分子名称: Aldo-keto reductase family 1 member C1, BETA-MERCAPTOETHANOL, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... 著者 Couture, J.F, Legrand, P, Cantin, L, Luu-The, V, Labrie, F, Breton, R. 登録日 2002-09-18 公開日 2003-09-30 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Human 20alpha-hydroxysteroid dehydrogenase: crystallographic and site-directed mutagenesis studies lead to the identification of an alternative binding site for C21-steroids. J.Mol.Biol., 331, 2003
7NY0	Solution structure of Boskar4; a de novo designed G-CSF agonist 分子名称: Boskar4 著者 ElGamacy, M, Coles, M. 登録日 2021-03-19 公開日 2021-10-06 最終更新日 2024-06-19 実験手法 SOLUTION NMR 主引用文献 A topological refactoring design strategy yields highly stable granulopoietic proteins. Nat Commun, 13, 2022
7FEJ	Complex of FMDV A/AF/72 and bovine neutralizing scFv antibody R55 分子名称: A/AF/72 VP1, A/AF/72 VP2, A/AF/72 VP3, ... 著者 He, Y, Li, K, Lou, Z. 登録日 2021-07-20 公開日 2021-09-29 最終更新日 2022-02-16 実験手法 ELECTRON MICROSCOPY (3.91 Å) 主引用文献 Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization. J.Virol., 95, 2021
7NT4	X-ray structure of SCoV2-PLpro in complex with small molecule inhibitor 分子名称: 1,2-ETHANEDIOL, Non-structural protein 3, PROFLAVIN, ... 著者 Napolitano, V, Mourao, A, Bostock, M, Matsuda, A, Czarna, A, Popowicz, G.M. 登録日 2021-03-09 公開日 2022-02-02 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.68 Å) 主引用文献 Acriflavine, a clinically approved drug, inhibits SARS-CoV-2 and other betacoronaviruses. Cell Chem Biol, 29, 2022
7FEI	Complex of FMDV A/WH/CHA/09 and bovine neutralizing scFv antibody R55 分子名称: Capsid protein VP0, IG HEAVY CHAIN VARIABLE REGION, IG LAMDA CHAIN VARIABLE REGION 著者 He, Y, Li, K, Lou, Z. 登録日 2021-07-20 公開日 2021-09-29 最終更新日 2022-02-16 実験手法 ELECTRON MICROSCOPY (3.91 Å) 主引用文献 Structures of Foot-and-Mouth Disease Virus with Bovine Neutralizing Antibodies Reveal the Determinant of Intraserotype Cross-Neutralization. J.Virol., 95, 2021
7F2L	Crystal structure of PDE4D catalytic domain complexed with compound 18a 分子名称: (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... 著者 Huang, Y.-Y, He, X, Luo, H.-B. 登録日 2021-06-11 公開日 2021-10-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.10111427 Å) 主引用文献 Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
7F2M	Crystal structure of PDE4D catalytic domain complexed with compound 18d 分子名称: (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... 著者 Huang, Y.-Y, He, X, Luo, H.-B. 登録日 2021-06-11 公開日 2021-10-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.20004153 Å) 主引用文献 Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
7F2K	Crystal structure of PDE4D catalytic domain complexed with compound 17a 分子名称: (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... 著者 Huang, Y.-Y, He, X, Luo, H.-B. 登録日 2021-06-11 公開日 2021-10-20 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.10001969 Å) 主引用文献 Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety. J.Med.Chem., 64, 2021
7OGN	Crystal structure of T2R-TTL -mebendazole complex 分子名称: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, CHLORIDE ION, ... 著者 Oliva, M.A, Bonato, F, Diaz, J.F. 登録日 2021-05-07 公開日 2022-04-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function. Int J Mol Sci, 23, 2022
7ODN	Crystal structure of TD1-mebendazole complex 分子名称: CHLORIDE ION, Designed Ankyrin Repeat Protein (DARPIN) D1, GLYCEROL, ... 著者 Oliva, M.A, Bonato, F, Diaz, J.F. 登録日 2021-04-30 公開日 2022-04-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.33 Å) 主引用文献 Effect of Clinically Used Microtubule Targeting Drugs on Viral Infection and Transport Function. Int J Mol Sci, 23, 2022
7OBH	Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide and stabilizer Fusicoccin-A 分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... 著者 Centorrino, F, Andlovic, B, Ottmann, C. 登録日 2021-04-22 公開日 2022-05-04 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization. Cell Chem Biol, 2023
7OBX	Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide 分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... 著者 Centorrino, F, Andlovic, B, Ottmann, C. 登録日 2021-04-23 公開日 2022-05-04 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization. Cell Chem Biol, 2023
7OBY	Crystal structure of 14-3-3 sigma in complex with SSBP4 phosphopeptide and stabilizer Fusicoccin-A 分子名称: 14-3-3 protein sigma, CHLORIDE ION, FUSICOCCIN, ... 著者 Centorrino, F, Andlovic, B, Ottmann, C. 登録日 2021-04-24 公開日 2022-05-04 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization. Cell Chem Biol, 2023
7OBG	Crystal structure of 14-3-3 sigma in complex with NPM1 phosphopeptide 分子名称: 14-3-3 protein sigma, CHLORIDE ION, MAGNESIUM ION, ... 著者 Centorrino, F, Andlovic, B, Ottmann, C. 登録日 2021-04-22 公開日 2022-05-04 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization. Cell Chem Biol, 2023
7OBD	Crystal structure of 14-3-3 sigma in complex with Phosphorylated and Farnesylated Rnd3 peptide and stabilizer Fusicoccin-A 分子名称: 14-3-3 protein sigma, CHLORIDE ION, FARNESYL, ... 著者 Centorrino, F, Andlovic, B, Ottmann, C. 登録日 2021-04-21 公開日 2022-05-04 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization. Cell Chem Biol, 2023
7OBS	Crystal structure of 14-3-3 sigma in complex with RIPK2 phosphopeptide 分子名称: 14-3-3 protein sigma, CALCIUM ION, MAGNESIUM ION, ... 著者 Centorrino, F, Andlovic, B, Ottmann, C. 登録日 2021-04-23 公開日 2022-05-04 最終更新日 2024-02-07 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 IFN alpha primes cancer cells for Fusicoccin-induced cell death via 14-3-3 PPI stabilization. Cell Chem Biol, 2023
7F0H	Structural and functional characterization of bovine G1P[5] rotavirus VP8* protein 分子名称: Outer capsid protein VP8* 著者 Duan, Z, Sun, X. 登録日 2021-06-04 公開日 2021-12-29 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.695 Å) 主引用文献 Structural and functional characterization of bovine G1P[5] rotavirus VP8* protein. Virology, 563, 2021

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