PDB: 37044 件ウェブページステータス検索Chemie searchBIRD

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8U8K	Co-crystal structure of phosphorylated ERK2 in complex with ERK1/2 inhibitor #8 分子名称: (4M)-4-{(4S)-3-[(2-chloropyridin-3-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-7-yl}-N-(oxan-4-yl)pyrimidin-2-amine, Mitogen-activated protein kinase 1 著者 Anderson, J.W, Vigers, G.P. 登録日 2023-09-18 公開日 2024-03-27 最終更新日 2024-04-10 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Conformation selection by ATP-competitive inhibitors and allosteric communication in ERK2. Elife, 12, 2024
8U1S	A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-393 heavy chain, ... 著者 Ferguson, J.A, Raghavan, S.S.R, Ward, A.B. 登録日 2023-09-02 公開日 2024-03-27 実験手法 ELECTRON MICROSCOPY (3.21 Å) 主引用文献 A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface To Be Published
4XZ0	ZAP-70-tSH2:compound-A complex 分子名称: 1-(3-{5-[(3-chlorobenzyl)sulfonyl]-1H-tetrazol-1-yl}phenyl)ethanone, SULFATE ION, Tyrosine-protein kinase ZAP-70 著者 Barros, T, Kuriyan, J, Visperas, P.R, Winger, J.A. 登録日 2015-02-03 公開日 2015-06-17 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2 Å) 主引用文献 Modification by covalent reaction or oxidation of cysteine residues in the tandem-SH2 domains of ZAP-70 and Syk can block phosphopeptide binding. Biochem. J., 465, 2015
6RO5	1Yr-Y: Lysozyme with Re Cluster 1 year on shelf 分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ... 著者 Brink, A, Helliwell, J.R. 登録日 2019-05-10 公開日 2019-06-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.68 Å) 主引用文献 Formation of a highly dense tetra-rhenium cluster in a protein crystal and its implications in medical imaging. Iucrj, 6, 2019
7R08	Abortive infection DNA polymerase Abi-P2 分子名称: Reverse transcriptase 著者 Gapinska, M.A, Figiel, M, Czarnocki Cieciura, M, Nowotny, M, Zajko, W. 登録日 2022-02-01 公開日 2022-09-07 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (3.1 Å) 主引用文献 Mechanism of protein-primed template-independent DNA synthesis by Abi polymerases. Nucleic Acids Res., 50, 2022
4Y0P	Bovine beta-lactoglobulin complex with tetracaine (BLG-TET) 分子名称: Beta-lactoglobulin, Tetracaine 著者 Loch, J.I, Bonarek, P, Polit, A, Jablonski, M, Czub, M, Ye, X, Lewinski, K. 登録日 2015-02-06 公開日 2015-07-01 最終更新日 2024-01-10 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 beta-Lactoglobulin interactions with local anaesthetic drugs - Crystallographic and calorimetric studies. Int.J.Biol.Macromol., 80, 2015
7R8S	The crystal structure of CYP199A4 bound to 4-n-propylbenzoic acid 分子名称: 4-propylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2021-06-27 公開日 2022-06-29 最終更新日 2023-10-25 実験手法 X-RAY DIFFRACTION (1.366 Å) 主引用文献 Exploring the Factors which Result in Cytochrome P450 Catalyzed Desaturation Versus Hydroxylation. Chem Asian J, 17, 2022
6EIJ	DYRK1A in complex with HG-8-60-1 分子名称: Dual specificity tyrosine-phosphorylation-regulated kinase 1A, ~{N}-[5-[3-(2-morpholin-4-ylethylcarbamoylamino)phenyl]-[1,3]thiazolo[5,4-b]pyridin-2-yl]cyclopropanecarboxamide 著者 Rothweiler, U. 登録日 2017-09-19 公開日 2018-08-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.42 Å) 主引用文献 Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
8U1C	A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-400 heavy chain, ... 著者 Ferguson, J.A, Oeverdieck, S, Ward, A.B. 登録日 2023-08-31 公開日 2024-03-27 実験手法 ELECTRON MICROSCOPY (2.89 Å) 主引用文献 A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface To Be Published
6ROY	Structure of the N-SH2 domain of the human tyrosine-protein phosphatase non-receptor type 11 in complex with the phosphorylated immune receptor tyrosine-based inhibitory motif 分子名称: Tyrosine-protein phosphatase non-receptor type 11, immune receptor tyrosine-based inhibitory motif (ITIM) 著者 Krausze, J, Sikorska, J, Carlomagno, T. 登録日 2019-05-13 公開日 2020-02-19 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Molecular mechanism of SHP2 activation by PD-1 stimulation. Sci Adv, 6, 2020
7R06	Abortive infection DNA polymerase AbiK from Lactococcus lactis 分子名称: AbiK, DNA (5'-D(*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*CP*C)-3') 著者 Figiel, M, Nowotny, M, Gapinska, M, Czarnocki-Cieciura, M, Zajko, W. 登録日 2022-02-01 公開日 2022-09-07 最終更新日 2022-10-05 実験手法 ELECTRON MICROSCOPY (2.27 Å) 主引用文献 Mechanism of protein-primed template-independent DNA synthesis by Abi polymerases. Nucleic Acids Res., 50, 2022
5TYR	X-ray crystal structure of wild type HIV-1 protease in complex with GRL-121 分子名称: (3S,3aR,5R,7aS,8S)-hexahydro-4H-3,5-methanofuro[2,3-b]pyran-8-yl {(2S,3R)-4-[{[2-(cyclopropylamino)-1,3-benzothiazol-6-yl]sulfonyl}(2-methylpropyl)amino]-3-hydroxy-1-phenylbutan-2-yl}carbamate, Protease 著者 Yedidi, R.S, Hayashi, H, Aoki, M, Das, D, Ghosh, A.K, Mitsuya, H. 登録日 2016-11-21 公開日 2017-10-18 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 A novel central nervous system-penetrating protease inhibitor overcomes human immunodeficiency virus 1 resistance with unprecedented aM to pM potency. Elife, 6, 2017
7R8T	High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid 分子名称: 4-ethylbenzoic acid, CHLORIDE ION, Cytochrome P450, ... 著者 Podgorski, M.N, Bell, S.G. 登録日 2021-06-27 公開日 2022-06-29 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.366 Å) 主引用文献 High-resolution crystal structure of CYP199A4 bound to 4-ethylbenzoic acid To Be Published
4ORU	Three-dimensional structure of the C65A mutant of Human lipocalin-type Prostaglandin D Synthase holo-form second space group 分子名称: 2,5,8,11,14,17,20,23,26,29,32,35,38,41,44,47,50,53,56,59,62,65,68,71,74,77,80-HEPTACOSAOXADOOCTACONTAN-82-OL, Prostaglandin-H2 D-isomerase 著者 Perduca, M, Bovi, M, Bertinelli, M, Bertini, E, Destefanis, L, Carrizo, M.E, Capaldi, S, Monaco, H.L. 登録日 2014-02-12 公開日 2014-08-06 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 High-resolution structures of mutants of residues that affect access to the ligand-binding cavity of human lipocalin-type prostaglandin D synthase. Acta Crystallogr.,Sect.D, 70, 2014
6EIF	DYRK1A in complex with XMD7-117 分子名称: 4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide, Dual specificity tyrosine-phosphorylation-regulated kinase 1A 著者 Rothweiler, U. 登録日 2017-09-19 公開日 2018-08-29 最終更新日 2024-01-17 実験手法 X-RAY DIFFRACTION (2.22 Å) 主引用文献 Novel Scaffolds for Dual Specificity Tyrosine-Phosphorylation-Regulated Kinase (DYRK1A) Inhibitors. J. Med. Chem., 61, 2018
4OS6	Crystal structure of urokinase-type plasminogen activator (uPA) complexed with bicyclic peptide UK604 (bicyclic 2) 分子名称: ACETATE ION, SULFATE ION, Urokinase-type plasminogen activator, ... 著者 Chen, S, Pojer, F, Heinis, C. 登録日 2014-02-12 公開日 2014-09-24 最終更新日 2021-06-02 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Dithiol amino acids can structurally shape and enhance the ligand-binding properties of polypeptides. Nat Chem, 6, 2014
6EM6	Crystal structure of the Protein-Kinase A catalytic subunit from Criteculus Griseus in complex with compounds RKp032 and ADP 分子名称: ADENOSINE-5'-DIPHOSPHATE, MAGNESIUM ION, UPF0418 protein FAM164A, ... 著者 Mueller, J.M, Heine, A, Klebe, G. 登録日 2017-10-01 公開日 2018-10-10 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.64 Å) 主引用文献 Conceptional Design of Self-Assembling Bisubstrate-like Inhibitors of Protein Kinase A Resulting in a Boronic Acid Glutamate Linkage Acs Omega, 2019
4OOO	X-ray structure of the lysozyme derivative of tetrakis(acetato)chlorido diruthenium(II,III) complex 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION, ... 著者 Merlino, A. 登録日 2014-02-03 公開日 2014-06-18 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.15 Å) 主引用文献 Unusual Structural Features in the Lysozyme Derivative of the Tetrakis(acetato)chloridodiruthenium(II,III) Complex. Angew.Chem.Int.Ed.Engl., 53, 2014
7QYH	Structure of plasmepsin II in complex with 2-aminoquinazolin-4(3H)-one based open-flap inhibitor 分子名称: 2-azanyl-3-[[(2~{R})-oxolan-2-yl]methyl]-7-(5-phenylpentyl)quinazolin-4-one, Plasmepsin II 著者 Bobrovs, R, Jaudzems, K. 登録日 2022-01-28 公開日 2022-06-29 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (3.33 Å) 主引用文献 Exploring Aspartic Protease Inhibitor Binding to Design Selective Antimalarials. J.Chem.Inf.Model., 62, 2022
7QZO	Crystal structure of GacS D1 domain 分子名称: CADMIUM ION, GLYCEROL, Histidine kinase 著者 Fadel, F, Bassim, V, Botzanowski, T, Francis, V.I, Legrand, P, Porter, S.L, Bourne, Y, Cianferani, S, Vincent, F. 登録日 2022-01-31 公開日 2022-07-06 最終更新日 2024-01-31 実験手法 X-RAY DIFFRACTION (1.45 Å) 主引用文献 Insights into the atypical autokinase activity of the Pseudomonas aeruginosa GacS histidine kinase and its interaction with RetS. Structure, 30, 2022
8U1Q	A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Neuraminidase, mAb-2D10 heavy chain, ... 著者 Ferguson, J.A, Oeverdieck, S, Ward, A.B. 登録日 2023-09-01 公開日 2024-03-27 実験手法 ELECTRON MICROSCOPY (3.36 Å) 主引用文献 A mechanistic understanding of protective influenza B neuraminidase mAbs at the airway interface To Be Published
6RTA	Tetragonal lysozyme grown with 300g/L Ficoll 分子名称: CHLORIDE ION, Lysozyme C, SODIUM ION 著者 Pereira, P.J.B, Ferreira, C, Martins, P.M. 登録日 2019-05-22 公開日 2019-06-26 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Protein crystals as a key for deciphering macromolecular crowding effects on biological reactions. Phys Chem Chem Phys, 22, 2020
4XRZ	Human Cytochrome P450 2D6 BACE1 Inhibitor 6 Complex 分子名称: (4aR,6R,8aS)-8a-(2,4-difluorophenyl)-6-(1H-pyrazol-4-yl)-4,4a,5,6,8,8a-hexahydropyrano[3,4-d][1,3]thiazin-2-amine, Cytochrome P450 2D6, GLYCEROL, ... 著者 Johnson, E.F, Fan, Y. 登録日 2015-01-21 公開日 2015-05-20 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 Utilizing Structures of CYP2D6 and BACE1 Complexes To Reduce Risk of Drug-Drug Interactions with a Novel Series of Centrally Efficacious BACE1 Inhibitors. J.Med.Chem., 58, 2015
4XRJ	Crystal structure of ERK2 in complex with an inhibitor 分子名称: Mitogen-activated protein kinase 1, N~1~-[3-(benzyloxy)benzyl]-1H-tetrazole-1,5-diamine, SULFATE ION 著者 Gelin, M, Allemand, F, Labesse, G, Guichou, J.F. 登録日 2015-01-21 公開日 2015-08-12 最終更新日 2015-08-19 実験手法 X-RAY DIFFRACTION (1.69 Å) 主引用文献 Combining `dry' co-crystallization and in situ diffraction to facilitate ligand screening by X-ray crystallography. Acta Crystallogr.,Sect.D, 71, 2015
4XSK	Structure of PAItrap, an uPA mutant 分子名称: GLYCEROL, SULFATE ION, TRIETHYLENE GLYCOL, ... 著者 Gong, L, Proulle, V, Hong, Z, Lin, Z, Liu, M, Yuan, C, Lin, L, Furie, B, Flaumenhaft, R, Andreasen, P, Furie, B, Huang, M. 登録日 2015-01-22 公開日 2016-02-03 最終更新日 2023-11-08 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Structure of PAItrap, an uPA mutant To Be Published

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