PDB: 245011 件ウェブページステータス検索Chemie searchBIRD

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4AZY	Design and Synthesis of BACE1 Inhibitors with In Vivo Brain Reduction of beta-Amyloid Peptides (COMPOUND 10) 分子名称: (1S)-4-fluoro-1-(4-fluoro-3-pyrimidin-5-ylphenyl)-1-[2-(trifluoromethyl)pyridin-4-yl]-1H-isoindol-3-amine, ACETATE ION, BETA-SECRETASE 1, ... 著者 Swahn, B.M, Kolmodin, K, Karlstrom, S, von Berg, S, Soderman, P, Holenz, J, Berg, S, Lindstrom, J, Sundstrom, M, Turek, D, Kihlstrom, J, Slivo, C, Andersson, L, Pyring, D, Ohberg, L, Kers, A, Bogar, K, Bergh, M, Olsson, L.L, Janson, J, Eketjall, S, Georgievska, B, Jeppsson, F, Falting, J. 登録日 2012-06-27 公開日 2012-10-17 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Design and synthesis of beta-site amyloid precursor protein cleaving enzyme (BACE1) inhibitors with in vivo brain reduction of beta-amyloid peptides. J. Med. Chem., 55, 2012
7Z60	Human transthyretin (TTR) complexed with Quercetin 3-O-beta-D-galactoside 分子名称: 1,2-ETHANEDIOL, 2-[3,4-bis(oxidanyl)phenyl]-3-[(2S,3R,4S,5R,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-5,7-bis(oxidanyl)chromen-4-one, IMIDAZOLE, ... 著者 Ciccone, L, Braca, A, Orlandini, E, Nencetti, S. 登録日 2022-03-10 公開日 2022-05-18 最終更新日 2025-10-01 実験手法 X-RAY DIFFRACTION (1.4 Å) 主引用文献 Antioxidant Quercetin 3-O-Glycosylated Plant Flavonols Contribute to Transthyretin Stabilization Crystals, 12, 2022
4N66	Thermolysin in complex with UBTLN37 分子名称: CALCIUM ION, DIMETHYL SULFOXIDE, GLYCEROL, ... 著者 Krimmer, S.G, Heine, A, Klebe, G. 登録日 2013-10-11 公開日 2014-04-02 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.44 Å) 主引用文献 Methyl, Ethyl, Propyl, Butyl: Futile But Not for Water, as the Correlation of Structure and Thermodynamic Signature Shows in a Congeneric Series of Thermolysin Inhibitors. Chemmedchem, 4, 2014
5MYE	Solution structure of C20S variant of Dehydroascorbate reductase 3A from Populus trichocarpa in complex with dehydroascorbic acid. 分子名称: (5R)-5-[(1S)-1,2-bis(oxidanyl)ethyl]oxolane-2,3,4-trione, Dehydroascorbate reductase family protein 著者 Roret, T, Tsan, P. 登録日 2017-01-26 公開日 2017-03-22 最終更新日 2024-05-15 実験手法 SOLUTION NMR 主引用文献 Insights into ascorbate regeneration in plants: investigating the redox and structural properties of dehydroascorbate reductases from Populus trichocarpa. Biochem. J., 473, 2016
5G5V	Crystal structure of T. brucei PDE-B1 catalytic domain with inhibitor NPD-038 分子名称: (4AS,8AR)-4-(3-{4-[(3R)-3-HYDROXYPYRROLIDINE-1-, 1,2-ETHANEDIOL, FORMIC ACID, ... 著者 Singh, A.K, Brown, D.G. 登録日 2016-06-06 公開日 2018-03-14 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Targeting a Subpocket in Trypanosoma brucei Phosphodiesterase B1 (TbrPDEB1) Enables the Structure-Based Discovery of Selective Inhibitors with Trypanocidal Activity. J. Med. Chem., 61, 2018
8RRH	The human prohibitin complex 分子名称: Prohibitin 1, Prohibitin-2 著者 Lange, F, Ratz, M, Dohrke, J.N, Wenzel, D, Riedel, D, Ilgen, P, Jakobs, S. 登録日 2024-01-22 公開日 2024-12-18 最終更新日 2025-04-23 実験手法 ELECTRON MICROSCOPY (16.299999 Å) 主引用文献 In situ architecture of the human prohibitin complex. Nat.Cell Biol., 27, 2025
8X94	Structure of human TRPV1 in complex with antagonist --protein purified without CHS 分子名称: 4-(7-Hydroxy-2-isopropyl-4-oxoquinazolin-3(4H)-yl)benzonitrile, CHOLESTEROL, Transient receptor potential cation channel subfamily V member 1,Green fluorescent protein 著者 Fan, J, Lei, X. 登録日 2023-11-29 公開日 2024-08-14 最終更新日 2025-07-23 実験手法 ELECTRON MICROSCOPY (2.55 Å) 主引用文献 Structural basis of TRPV1 inhibition by SAF312 and cholesterol. Nat Commun, 15, 2024
3MZ2	Crystal structure of a Glycerophosphoryl diester phosphodiesterase (BDI_3922) from Parabacteroides distasonis ATCC 8503 at 1.55 A resolution 分子名称: 2-{2-[2-(2-{2-[2-(2-ETHOXY-ETHOXY)-ETHOXY]-ETHOXY}-ETHOXY)-ETHOXY]-ETHOXY}-ETHANOL, Glycerophosphoryl diester phosphodiesterase, SODIUM ION, ... 著者 Joint Center for Structural Genomics (JCSG) 登録日 2010-05-11 公開日 2010-07-07 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Crystal structure of a Glycerophosphoryl diester phosphodiesterase (BDI_3922) from Parabacteroides distasonis ATCC 8503 at 1.55 A resolution To be published
5J3T	Crystal structure of S. pombe Dcp2:Dcp1:Edc1 mRNA decapping complex 分子名称: Edc1, FORMIC ACID, MAGNESIUM ION, ... 著者 Valkov, E, Muthukumar, S, Chang, C.T, Jonas, S, Weichenrieder, O, Izaurralde, E. 登録日 2016-03-31 公開日 2016-05-18 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure of the Dcp2-Dcp1 mRNA-decapping complex in the activated conformation. Nat.Struct.Mol.Biol., 23, 2016
6UGQ	Human Carbonic Anhydrase IX-mimic complexed with SB4-206 分子名称: 5-chloro-1lambda~6~,2,4-benzothiadiazine-1,1,3(2H,4H)-trione, Carbonic anhydrase IX-mimic, ZINC ION 著者 Murray, A.B, Lomelino, C.L, McKenna, R. 登録日 2019-09-26 公開日 2019-12-18 最終更新日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.305 Å) 主引用文献 "A Sweet Combination": Developing Saccharin and Acesulfame K Structures for Selectively Targeting the Tumor-Associated Carbonic Anhydrases IX and XII. J.Med.Chem., 63, 2020
8RWD	Crystal structure of the adenosine A2A receptor in complex with the synthetic photoswitch 'StilSwitch3 分子名称: 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... 著者 Glover, H. 登録日 2024-02-03 公開日 2025-01-08 実験手法 X-RAY DIFFRACTION (2.05 Å) 主引用文献 Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography. Nat Commun, 15, 2024
3MWQ	Crystal structure of ribonuclease A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor 分子名称: GLYCEROL, Ribonuclease pancreatic, LINKER, ... 著者 Neumann, P, Leich, F. 登録日 2010-05-06 公開日 2011-02-09 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Crystal structure of RNase A tandem enzymes and their interaction with the cytosolic ribonuclease inhibitor Febs J., 278, 2011
8RWX	Steady state structure of the human adenosine A2A receptor bound to synthetic photoswitch 'StilSwitch3' determined by serial synchrotron crystallography 分子名称: 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Soluble cytochrome b562, OLEIC ACID, ... 著者 Glover, H, Bertrand, Q, Weinert, T. 登録日 2024-02-05 公開日 2025-01-08 実験手法 X-RAY DIFFRACTION (3.05 Å) 主引用文献 Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography. Nat Commun, 15, 2024
4NQC	Crystal structure of TCR-MR1 ternary complex and covalently bound 5-(2-oxopropylideneamino)-6-D-ribitylaminouracil 分子名称: 1-deoxy-1-({2,6-dioxo-5-[(E)-propylideneamino]-1,2,3,6-tetrahydropyrimidin-4-yl}amino)-D-ribitol, Beta-2-microglobulin, Major histocompatibility complex class I-related gene protein, ... 著者 Birkinshaw, R.W, Rossjohn, J. 登録日 2013-11-25 公開日 2014-04-16 最終更新日 2024-11-06 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 T-cell activation by transitory neo-antigens derived from distinct microbial pathways. Nature, 509, 2014
8RVW	Dark structure of the human adenosine A2A receptor bound to synthetic photoswitch "StilSwitch3" determined by serial synchrotron crystallography 分子名称: 1,3-diethyl-8-[(~{E})-2-(4-methoxy-3-oxidanyl-phenyl)ethenyl]-7-methyl-purine-2,6-dione, Adenosine receptor A2a,Adenosine receptor A2a,Soluble cytochrome b562, CHOLESTEROL, ... 著者 Glover, H, Bertrand, Q. 登録日 2024-02-02 公開日 2025-01-08 実験手法 X-RAY DIFFRACTION (2.65 Å) 主引用文献 Photoswitch dissociation from a G protein-coupled receptor resolved by time-resolved serial crystallography. Nat Commun, 15, 2024
4NGJ	Dialyzed HEW lysozyme batch crystallized in 1.0 M RbCl and collected at 100 K 分子名称: CHLORIDE ION, Lysozyme C, RUBIDIUM ION 著者 Benas, P, Legrand, L, Ries-Kautt, M. 登録日 2013-11-02 公開日 2014-05-28 最終更新日 2024-10-09 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Weak protein-cationic co-ion interactions addressed by X-ray crystallography and mass spectrometry. Acta Crystallogr.,Sect.D, 70, 2014
6I0X	Porphyromonas gingivalis peptidylarginine deminase (PPAD) mutant G231N/E232T/N235D in complex with Cl-amidine. 分子名称: GLYCEROL, N-[(1S)-1-(AMINOCARBONYL)-4-(ETHANIMIDOYLAMINO)BUTYL]BENZAMIDE, Peptidylarginine deiminase, ... 著者 Gomis-Ruth, F.X, Goulas, T, Sola, M, Potempa, J. 登録日 2018-10-26 公開日 2019-01-23 最終更新日 2024-11-20 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure, function, and inhibition of a genomic/clinical variant of Porphyromonas gingivalis peptidylarginine deiminase. Protein Sci., 28, 2019
5GWA	Crystal structure of TLA-3 extended-spectrum beta-lactamase in a complex with avibactam 分子名称: (2S,5R)-1-formyl-5-[(sulfooxy)amino]piperidine-2-carboxamide, Beta-lactamase, CHLORIDE ION, ... 著者 Wachino, J, Jin, W, Arakawa, Y. 登録日 2016-09-09 公開日 2017-07-12 最終更新日 2024-10-16 実験手法 X-RAY DIFFRACTION (1.59 Å) 主引用文献 Structural Insights into the TLA-3 Extended-Spectrum beta-Lactamase and Its Inhibition by Avibactam and OP0595. Antimicrob. Agents Chemother., 61, 2017
8WZO	Parkin in complex with phospho NEDD8 分子名称: 1,2-ETHANEDIOL, E3 ubiquitin-protein ligase parkin, NEDD8, ... 著者 Lenka, D.R, Kumar, A. 登録日 2023-11-02 公開日 2024-09-18 最終更新日 2024-10-30 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Parkin in complex with phospho NEDD8 Structure
7S2Y	SAMHD1 HD domain bound to CNDAC 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, 4-amino-1-{2-cyano-2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-D-arabinofuranosyl}pyrimidin-2(1H)-one, Deoxynucleoside triphosphate triphosphohydrolase SAMHD1, ... 著者 Digianantonio, K.M, Xiong, Y. 登録日 2021-09-04 公開日 2021-10-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 Differences between intrinsic and acquired nucleoside analogue resistance in acute myeloid leukaemia cells. J Exp Clin Cancer Res, 40, 2021
5JC8	Crystal structure of a putative short-chain dehydrogenase/reductase from Burkholderia xenovorans 分子名称: 1,2-ETHANEDIOL, 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, MAGNESIUM ION, ... 著者 Seattle Structural Genomics Center for Infectious Disease (SSGCID) 登録日 2016-04-14 公開日 2016-05-11 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Crystal structure of a putative short-chain dehydrogenase/reductase from Burkholderia xenovorans to be published
6ETI	Structure of inhibitor-bound ABCG2 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5D3(Fab) heavy chain variable domain, 5D3(Fab) light chain variable domain, ... 著者 Jackson, S.M, Manolaridis, I, Kowal, J, Zechner, M, Altmann, K.H, Locher, K.P. 登録日 2017-10-26 公開日 2018-04-11 最終更新日 2025-07-02 実験手法 ELECTRON MICROSCOPY (3.1 Å) 主引用文献 Structural basis of small-molecule inhibition of human multidrug transporter ABCG2. Nat. Struct. Mol. Biol., 25, 2018
5H1T	Complex structure of TRIM24 PHD-bromodomain and inhibitor 1 分子名称: DIMETHYL SULFOXIDE, Transcription intermediary factor 1-alpha, ZINC ION, ... 著者 Liu, J. 登録日 2016-10-11 公開日 2017-02-22 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.951 Å) 主引用文献 The polar warhead of a TRIM24 bromodomain inhibitor rearranges a water-mediated interaction network FEBS J., 284, 2017
9IYK	Crystal structure of hSOD1 in C121 space group 分子名称: ACETATE ION, COPPER (II) ION, SULFATE ION, ... 著者 Yapici, I, DeMirci, H. 登録日 2024-07-30 公開日 2024-08-14 最終更新日 2025-05-28 実験手法 X-RAY DIFFRACTION (2.34 Å) 主引用文献 Structural Insights into the Dynamics of Water in SOD1 Catalysis and Drug Interactions. Int J Mol Sci, 26, 2025
8RQK	Structure of the complete Vaccinia DNA-dependent RNA polymerase complex at 2.65A resolution 分子名称: Core protein OPG073, DNA-directed RNA polymerase 133 kDa polypeptide, DNA-directed RNA polymerase 147 kDa polypeptide, ... 著者 Grimm, C, Bartuli, J, Fischer, U. 登録日 2024-01-18 公開日 2025-01-29 実験手法 ELECTRON MICROSCOPY (2.65 Å) 主引用文献 Structure of the complete Vaccinia DNA-dependent RNA polymerase complex at 2.65A resolution To Be Published

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