PDB: 12060 件ウェブページステータス検索Chemie searchBIRD

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7DV0	Crystal structure of VIM-2 MBL in complex with 1-(4-(trifluoromethyl)benzyl)-1H-imidazole-2-carboxylic acid 分子名称: 1-[[4-(trifluoromethyl)phenyl]methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ... 著者 Li, G.-B, Yan, Y.-H. 登録日 2021-01-12 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.601 Å) 主引用文献 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
4U5D	Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... 著者 Chen, L, Gouaux, E. 登録日 2014-07-25 公開日 2014-08-13 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3.5757 Å) 主引用文献 X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
4U5G	Crystal structure of con-ikot-ikot toxin 分子名称: Con-ikot-ikot, ZINC ION 著者 Chen, L, Gouaux, E. 登録日 2014-07-25 公開日 2014-08-13 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (2.1997 Å) 主引用文献 X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
7DUX	Crystal structure of VIM-2 MBL in complex with 1-(but-3-en-1-yl)-1H-imidazole-2-carboxylic acid 分子名称: 1-but-3-enylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, GLYCEROL, ... 著者 Li, G.-B, Yan, Y.-H. 登録日 2021-01-12 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.981 Å) 主引用文献 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
4U5H	crystal structure of con-ikot-ikot toxin 分子名称: Con-ikot-ikot 著者 Chen, L, Gouaux, E. 登録日 2014-07-25 公開日 2014-08-13 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (1.58 Å) 主引用文献 X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
7DV1	Crystal structure of VIM-2 MBL in complex with 1-(4-hydroxybenzyl)-1H-imidazole-2-carboxylic acid 分子名称: 1-[(4-hydroxyphenyl)methyl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Li, G.-B, Yan, Y.-H. 登録日 2021-01-12 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.966 Å) 主引用文献 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DUZ	Crystal structure of VIM-2 MBL in complex with 1-cyclobutyl-1H-imidazole-2-carboxylic acid 分子名称: 1-cyclobutylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Li, G.-B, Yan, Y.-H. 登録日 2021-01-12 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.6 Å) 主引用文献 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
4U5Z	Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1 分子名称: Structural protein VP1 著者 Stroh, L.J, Stehle, T. 登録日 2014-07-26 公開日 2015-08-05 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Trichodysplasia spinulosa-Associated Polyomavirus Uses a Displaced Binding Site on VP1 to Engage Sialylated Glycolipids. Plos Pathog., 11, 2015
2HS1	Ultra-high resolution X-ray crystal structure of HIV-1 protease V32I mutant with TMC114 (darunavir) inhibitor 分子名称: (3R,3AS,6AR)-HEXAHYDROFURO[2,3-B]FURAN-3-YL(1S,2R)-3-[[(4-AMINOPHENYL)SULFONYL](ISOBUTYL)AMINO]-1-BENZYL-2-HYDROXYPROPYLCARBAMATE, CHLORIDE ION, DIMETHYL SULFOXIDE, ... 著者 Weber, I.T, Kovalevsky, A.Y. 登録日 2006-07-20 公開日 2006-10-03 最終更新日 2024-02-14 実験手法 X-RAY DIFFRACTION (0.84 Å) 主引用文献 Ultra-high Resolution Crystal Structure of HIV-1 Protease Mutant Reveals Two Binding Sites for Clinical Inhibitor TMC114. J.Mol.Biol., 363, 2006
7DU1	Crystal structure of VIM-2 MBL in complex with 1-propyl-1H-imidazole-2-carboxylic acid 分子名称: 1-propylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Yan, Y.-H, Li, G.-B. 登録日 2021-01-07 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.79 Å) 主引用文献 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
4TUO	Crystal structure of monoclonal antibody against neuroblastoma associated antigen. 分子名称: Heavy chain of monoclonal antibody against neuroblastoma associated antigen, Light chain of monoclonal antibody against neuroblastoma associated antigen, N-acetyl-alpha-neuraminic acid-(2-8)-N-acetyl-alpha-neuraminic acid-(2-3)-[2-acetamido-2-deoxy-beta-D-galactopyranose-(1-4)]beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose, ... 著者 Golik, P, Grudnik, P, Horwacik, I, Zdzalik, M, Rokita, H, Dubin, G. 登録日 2014-06-24 公開日 2015-07-15 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.55 Å) 主引用文献 Structural Basis of GD2 Ganglioside and Mimetic Peptide Recognition by 14G2a Antibody. Mol.Cell Proteomics, 14, 2015
7DUE	Crystal structure of VIM-2 MBL in complex with (R)-1-(sec-butyl)-1H-imidazole-2-carboxylic acid 分子名称: 1-[(2~{R})-butan-2-yl]imidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Li, G.-B, Yan, Y.-H. 登録日 2021-01-08 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.799 Å) 主引用文献 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7DUB	Crystal structure of VIM-2 MBL in complex with 1-isopropyl-1H-imidazole-2-carboxylic acid 分子名称: 1-propan-2-ylimidazole-2-carboxylic acid, Beta-lactamase class B VIM-2, FORMIC ACID, ... 著者 Li, G.-B, Yan, Y.-H. 登録日 2021-01-08 公開日 2022-01-19 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.599 Å) 主引用文献 Structure-guided optimization of 1H-imidazole-2-carboxylic acid derivatives affording potent VIM-Type metallo-beta-lactamase inhibitors. Eur.J.Med.Chem., 228, 2022
7LHB	Crystal structure of Bcl-2 in complex with prodrug ABBV-167 分子名称: Apoptosis regulator Bcl-2, Phosphoric acid mono-[5-(5-{4-[2-(4-chloro-phenyl)-4,4-dimethyl-cyclohex-1-enylmethyl]-piperazin-1-yl}-2-{3-nitro-4-[(tetrahydro-pyran-4-ylmethyl)-amino]-benzenesulfonylaminocarbonyl}-phenoxy)-pyrrolo[2,3-b]pyridin-7-ylmethyl] ester 著者 Judge, R.A, Salem, A.H. 登録日 2021-01-21 公開日 2021-04-14 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.068 Å) 主引用文献 Expanding the Repertoire for "Large Small Molecules": Prodrug ABBV-167 Efficiently Converts to Venetoclax with Reduced Food Effect in Healthy Volunteers. Mol.Cancer Ther., 20, 2021
1YR2	Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Inter-Domain Dynamics in Catalysis and Specificity 分子名称: GLYCEROL, prolyl oligopeptidase 著者 Shan, L, Mathews, I.I, Khosla, C. 登録日 2005-02-02 公開日 2005-03-15 最終更新日 2023-08-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structural and Mechanistic Analysis of Two Prolyl Endopeptidases: Role of Interdomain Dynamics in Catalysis and Specificity Proc.Natl.Acad.Sci.USA, 102, 2005
4U5B	Crystal structure of GluA2 A622T, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... 著者 Chen, L, Gouaux, E. 登録日 2014-07-25 公開日 2014-08-13 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3.5037 Å) 主引用文献 X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
4U5F	Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex, GluA2cryst2 construct 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... 著者 Chen, L, Gouaux, E. 登録日 2014-07-24 公開日 2014-08-13 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3.7 Å) 主引用文献 X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
4U60	Trichodysplasia spinulosa-associated polyomavirus (TSPyV) VP1 in complex with GM1 oligosaccharide 分子名称: 1,2-ETHANEDIOL, GLYCEROL, N-acetyl-alpha-neuraminic acid, ... 著者 Stroh, L.J, Stehle, T. 登録日 2014-07-26 公開日 2015-08-05 最終更新日 2023-12-20 実験手法 X-RAY DIFFRACTION (1.5 Å) 主引用文献 Trichodysplasia spinulosa-Associated Polyomavirus Uses a Displaced Binding Site on VP1 to Engage Sialylated Glycolipids. Plos Pathog., 11, 2015
6DI1	CRYSTAL STRUCTURE OF BTK IN COMPLEX WITH COVALENT FRAGMENT LIGAND 分子名称: 4-amino-2-[(3S)-3-(propanoylamino)pyrrolidin-1-yl]pyrimidine-5-carboxamide, Tyrosine-protein kinase BTK 著者 Jiang, X. 登録日 2018-05-22 公開日 2018-10-17 最終更新日 2018-10-24 実験手法 X-RAY DIFFRACTION (1.1 Å) 主引用文献 Discovery of a novel series of pyridine and pyrimidine carboxamides as potent and selective covalent inhibitors of Btk. Bioorg. Med. Chem. Lett., 28, 2018
4MWR	Anhui N9-zanamivir 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, Neuraminidase, ... 著者 Wu, Y, Qi, J.X, Gao, F, Gao, G.F. 登録日 2013-09-25 公開日 2013-11-20 最終更新日 2020-07-29 実験手法 X-RAY DIFFRACTION (1.797 Å) 主引用文献 Characterization of two distinct neuraminidases from avian-origin human-infecting H7N9 influenza viruses Cell Res., 23, 2013
4U5C	Crystal structure of GluA2, con-ikot-ikot snail toxin, partial agonist FW and postitive modulator (R,R)-2b complex 分子名称: 2-AMINO-3-(5-FLUORO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Con-ikot-ikot, ... 著者 Chen, L, Gouaux, E. 登録日 2014-07-25 公開日 2014-08-13 最終更新日 2023-12-27 実験手法 X-RAY DIFFRACTION (3.6883 Å) 主引用文献 X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
4U5E	Crystal structure of GluA2 T625G, con-ikot-ikot snail toxin, partial agonist KA and postitive modulator (R,R)-2b complex 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 3-(CARBOXYMETHYL)-4-ISOPROPENYLPROLINE, Con-ikot-ikot, ... 著者 Chen, L, Gouaux, E. 登録日 2014-07-25 公開日 2014-08-13 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (3.5073 Å) 主引用文献 X-ray structures of AMPA receptor-cone snail toxin complexes illuminate activation mechanism. Science, 345, 2014
6DAR	Discovery of Potent 2-Aryl-6,7-Dihydro-5HPyrrolo[ 1,2-a]imidazoles as WDR5 WIN-site Inhibitors Using Fragment-Based Methods and Structure-Based Design 分子名称: DIMETHYL SULFOXIDE, N-(cyclopropylmethyl)-N-{[3-(6,7-dihydro-5H-pyrrolo[1,2-a]imidazol-2-yl)phenyl]methyl}-3-methoxybenzamide, SULFATE ION, ... 著者 Phan, J, Fesik, S.W. 登録日 2018-05-01 公開日 2018-09-05 最終更新日 2023-10-04 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Discovery of Potent 2-Aryl-6,7-dihydro-5 H-pyrrolo[1,2- a]imidazoles as WDR5-WIN-Site Inhibitors Using Fragment-Based Methods and Structure-Based Design. J. Med. Chem., 61, 2018
2Z33	Solution structure of the DNA complex of PhoB DNA-binding/transactivation Domain 分子名称: 5'-D(*AP*CP*AP*GP*AP*TP*TP*TP*AP*TP*GP*AP*CP*AP*GP*T)-3', 5'-D(*AP*CP*TP*GP*TP*CP*AP*TP*AP*AP*AP*TP*CP*TP*GP*T)-3', Phosphate regulon transcriptional regulatory protein phoB 著者 Yamane, T, Okamura, H, Ikeguchi, M, Nishimura, Y, Kidera, A. 登録日 2007-05-31 公開日 2008-04-22 最終更新日 2024-05-29 実験手法 SOLUTION NMR 主引用文献 Water-mediated interactions between DNA and PhoB DNA-binding/transactivation domain: NMR-restrained molecular dynamics in explicit water environment. Proteins, 71, 2008
4U9E	Crystal structure of the Zn-directed tetramer of the engineered cyt cb562 variant, A104/57G AB3 分子名称: CALCIUM ION, HEME C, Soluble cytochrome b562, ... 著者 Tezcan, F.A, Song, W.J. 登録日 2014-08-06 公開日 2015-01-21 最終更新日 2023-09-27 実験手法 X-RAY DIFFRACTION (2.8 Å) 主引用文献 A designed supramolecular protein assembly with in vivo enzymatic activity Science, 346, 2014

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