PDB: 73050 件ウェブページステータス検索Chemie searchBIRD

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5UYU	Crystal structure of BACE1 in complex with 2-aminooxazoline-3-azaxanthene compound 12 分子名称: (5S)-3-(3,6-dihydro-2H-pyran-4-yl)-7-[5-(prop-1-yn-1-yl)pyridin-3-yl]-5'H-spiro[1-benzopyrano[2,3-c]pyridine-5,4'-[1,3]oxazol]-2'-amine, Beta-secretase 1, GLYCEROL, ... 著者 Whittington, D.A, Long, A.M, Sickmier, E.A. 登録日 2017-02-24 公開日 2017-05-17 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Development of 2-aminooxazoline 3-azaxanthene beta-amyloid cleaving enzyme (BACE) inhibitors with improved selectivity against Cathepsin D. Medchemcomm, 8, 2017
6HAY	Crystal structure of PROTAC 1 in complex with the bromodomain of human SMARCA2 and pVHL:ElonginC:ElonginB 分子名称: (2~{S},4~{R})-~{N}-[[2-[2-[2-[2-[4-[3-azanyl-6-(2-hydroxyphenyl)pyridazin-4-yl]piperazin-1-yl]ethoxy]ethoxy]ethoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide, 1,2-ETHANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... 著者 Roy, M, Bader, G, Diers, E, Trainor, N, Farnaby, W, Ciulli, A. 登録日 2018-08-09 公開日 2019-06-12 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.24 Å) 主引用文献 BAF complex vulnerabilities in cancer demonstrated via structure-based PROTAC design. Nat.Chem.Biol., 15, 2019
6CCL	Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine 分子名称: 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... 著者 Mamo, M, Appleton, B.A. 登録日 2018-02-07 公開日 2018-03-14 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (1.77 Å) 主引用文献 Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria. J. Med. Chem., 61, 2018
6HLD	X-ray structure of furin in complex with the cyclic peptide c[succinyl-Phe-2-Nal-(Arg)3-Lys]-Lys-4-Amba 分子名称: ALN-ARG-ARG-ARG-SLL-LYS-00S, CALCIUM ION, CHLORIDE ION, ... 著者 Dahms, S.O. 登録日 2018-09-11 公開日 2019-02-06 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Design, Synthesis, and Characterization of Macrocyclic Inhibitors of the Proprotein Convertase Furin. Chemmedchem, 14, 2019
5V3W	Crystal Structure of the Apo form of Thioesterase domain of Mtb Pks13 分子名称: (2R)-2-{[(2R)-2-{[(2S)-2-{[(2R)-2-hydroxypropyl]oxy}propyl]oxy}propyl]oxy}propan-1-ol, Polyketide synthase Pks13 (Termination polyketide synthase) 著者 Aggarwal, A, Sacchettini, J.C. 登録日 2017-03-08 公開日 2017-07-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.723 Å) 主引用文献 Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13. Cell, 170, 2017
6HMP	Crystal structure of human Casein Kinase I delta in complex with a photoswitchable 2-Azoimidazole-based Inhibitor (compound 3) 分子名称: 3-(2,5-dimethoxyphenyl)-~{N}-[4-[5-(4-fluorophenyl)-2-[(~{E})-(4-fluorophenyl)diazenyl]-3-methyl-imidazol-4-yl]pyridin-2-yl]propanamide, Casein kinase I isoform delta, PHOSPHATE ION 著者 Pichlo, C, Schehr, M, Charl, J, Brunstein, E, Peifer, C, Baumann, U. 登録日 2018-09-12 公開日 2019-09-11 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.039 Å) 主引用文献 2-Azo-, 2-diazocine-thiazols and 2-azo-imidazoles as photoswitchable kinase inhibitors: limitations and pitfalls of the photoswitchable inhibitor approach. Photochem. Photobiol. Sci., 18, 2019
6HNQ	TarP-6RboP-(CH2)6NH2 分子名称: CHLORIDE ION, MAGNESIUM ION, Probable ss-1,3-N-acetylglucosaminyltransferase, ... 著者 Guo, Y, Stehle, T. 登録日 2018-09-17 公開日 2018-10-24 最終更新日 2024-05-15 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Methicillin-resistant Staphylococcus aureus alters cell wall glycosylation to evade immunity. Nature, 563, 2018
6HQ3	Structure of EAL Enzyme Bd1971 - halfsite-occupied form 分子名称: ADENOSINE-3',5'-CYCLIC-MONOPHOSPHATE, EAL Enzyme Bd1971 著者 Lovering, A.L, Cadby, I.T. 登録日 2018-09-24 公開日 2019-07-31 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (2.79 Å) 主引用文献 Nucleotide signaling pathway convergence in a cAMP-sensing bacterial c-di-GMP phosphodiesterase. Embo J., 38, 2019
8SYP	Genomic CX3CR1 nucleosome 分子名称: DNA (162-MER), Histone H2A type 2-C, Histone H2B type 2-E, ... 著者 Lian, T, Guan, R, Bai, Y. 登録日 2023-05-25 公開日 2023-11-01 最終更新日 2024-10-09 実験手法 ELECTRON MICROSCOPY (2.6 Å) 主引用文献 Structural mechanism of synergistic targeting of the CX3CR1 nucleosome by PU.1 and C/EBP alpha. Nat.Struct.Mol.Biol., 31, 2024
1VGW	Crystal structure of 4-diphosphocytidyl-2C-methyl-D-erythritol synthase 分子名称: 4-diphosphocytidyl-2C-methyl-D-erythritol synthase 著者 Structural GenomiX 登録日 2003-11-03 公開日 2003-11-25 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.35 Å) 主引用文献 Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
1VHV	Crystal structure of diphthine synthase 分子名称: diphthine synthase 著者 Structural GenomiX 登録日 2003-12-01 公開日 2003-12-30 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
1VIC	Crystal structure of CMP-KDO synthetase 分子名称: 3-deoxy-manno-octulosonate cytidylyltransferase 著者 Structural GenomiX 登録日 2003-12-01 公開日 2003-12-30 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
1VIV	Crystal structure of a hypothetical protein 分子名称: Hypothetical protein yckF 著者 Structural GenomiX 登録日 2003-12-01 公開日 2003-12-30 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
1FCQ	CRYSTAL STRUCTURE (MONOCLINIC) OF BEE VENOM HYALURONIDASE 分子名称: HYALURONOGLUCOSAMINIDASE 著者 Markovic-Housley, Z, Miglierini, G, Soldatova, L, Mueller, U, Schirmer, T. 登録日 2000-07-19 公開日 2001-10-01 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Crystal structure of hyaluronidase, a major allergen of bee venom. Structure Fold.Des., 8, 2000
1VGZ	Crystal structure of 4-diphosphocytidyl-2C-methyl-D-erythritol synthase 分子名称: 4-diphosphocytidyl-2C-methyl-D-erythritol synthase, SULFATE ION 著者 Structural GenomiX 登録日 2003-11-03 公開日 2003-11-25 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3 Å) 主引用文献 Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
1VHD	Crystal structure of an iron containing alcohol dehydrogenase 分子名称: CACODYLATE ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ZINC ION, ... 著者 Structural GenomiX 登録日 2003-12-01 公開日 2003-12-30 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
1VHW	Crystal structure of purine nucleoside phosphorylase with adenosine 分子名称: ADENOSINE, purine nucleoside phosphorylase 著者 Structural GenomiX 登録日 2003-12-01 公開日 2003-12-30 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.54 Å) 主引用文献 Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005
6CYB	PDE2 in complex with compound 7 分子名称: 1,2-ETHANEDIOL, 3-(2,2,2-trifluoroethyl)-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1H-pyrazolo[3,4-d]pyrimidine-4,6(5H,7H)-dione, MAGNESIUM ION, ... 著者 Lu, J. 登録日 2018-04-05 公開日 2018-09-19 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.62 Å) 主引用文献 Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
6I8F	STRUCTURE OF ESTER-HYDROLASE EH1AB1 FROM THE METAGENOME OF LAKE ARREO 分子名称: DI(HYDROXYETHYL)ETHER, EH1AB1, GLYCEROL, ... 著者 Cea-Rama, I, Sanz-Aparicio, J. 登録日 2018-11-20 公開日 2019-11-27 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (2.11 Å) 主引用文献 Genetically engineered proteins with two active sites for enhanced biocatalysis and synergistic chemo- and biocatalysis Nat Catal, 3, 2020
6I8Z	Crystal structure of PTK2 in complex with BI-4464. 分子名称: 3-methoxy-~{N}-(1-methylpiperidin-1-ium-4-yl)-4-[[4-[(3-oxidanylidene-1,2-dihydroinden-4-yl)oxy]-5-(trifluoromethyl)pyrimidin-2-yl]amino]benzamide, Focal adhesion kinase 1 著者 Bader, G, Zoephel, A. 登録日 2018-11-21 公開日 2019-02-20 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.99 Å) 主引用文献 Highly Selective PTK2 Proteolysis Targeting Chimeras to Probe Focal Adhesion Kinase Scaffolding Functions. J.Med.Chem., 62, 2019
6CYD	PDE2 in complex with compound 7 分子名称: 1,2-ETHANEDIOL, 3-(hydroxymethyl)-6-methyl-1-{(1S)-1-[4-(trifluoromethyl)phenyl]ethyl}-1,5-dihydro-4H-pyrazolo[3,4-d]pyrimidin-4-one, MAGNESIUM ION, ... 著者 Lu, J. 登録日 2018-04-05 公開日 2018-09-19 最終更新日 2024-03-06 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Structure-Guided Design and Procognitive Assessment of a Potent and Selective Phosphodiesterase 2A Inhibitor. ACS Med Chem Lett, 9, 2018
8T84	Racemic mixture of amyloid beta segment 35-MVGGVV-40 forms heterochiral rippled beta-sheet, includes hexafluoroisopropanol 分子名称: 1,1,1,3,3,3-hexafluoropropan-2-ol, Racemic mixture of amyloid beta segment 35-MVGGVV-40 著者 Sawaya, M.R, Raskatov, J.A, Hazari, A. 登録日 2023-06-21 公開日 2023-11-29 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.101 Å) 主引用文献 Racemic Peptides from Amyloid beta and Amylin Form Rippled beta-Sheets Rather Than Pleated beta-Sheets. J.Am.Chem.Soc., 145, 2023
6IBP	Structure of a psychrophilic CCA-adding enzyme at room temperature in ChipX microfluidic device 分子名称: CCA-adding enzyme 著者 de Wijn, R, Hennig, O, Rollet, K, Bluhm, A, Betat, H, Moerl, M, Lorber, B, Sauter, C. 登録日 2018-11-30 公開日 2019-05-29 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.536 Å) 主引用文献 A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography. Iucrj, 6, 2019
5V40	Crystal Structure of Mtb Pks13 Thioesterase domain in complex with inhibitor TAM6 分子名称: Polyketide synthase Pks13 (Termination polyketide synthase), ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate 著者 Aggarwal, A, Sacchettini, J.C. 登録日 2017-03-08 公開日 2017-07-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.991 Å) 主引用文献 Development of a Novel Lead that Targets M. tuberculosis Polyketide Synthase 13. Cell, 170, 2017
1VH7	Crystal structure of a cyclase subunit of imidazolglycerolphosphate synthase 分子名称: Imidazole glycerol phosphate synthase subunit hisF, PHOSPHATE ION 著者 Structural GenomiX 登録日 2003-12-01 公開日 2003-12-30 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Structural analysis of a set of proteins resulting from a bacterial genomics project Proteins, 60, 2005

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