PDB: 6191 件ウェブページステータス検索Chemie searchBIRD

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6S0S	The crystal structure of kanamycin B dioxygenase (KanJ) from Streptomyces kanamyceticus in complex with nickel, ribostamycin B and 2-oxoglutarate 分子名称: 2-OXOGLUTARIC ACID, CHLORIDE ION, Kanamycin B dioxygenase, ... 著者 Mrugala, B, Porebski, P.J, Niedzialkowska, E, Minor, W, Borowski, T. 登録日 2019-06-18 公開日 2020-07-08 最終更新日 2024-01-24 実験手法 X-RAY DIFFRACTION (2.4 Å) 主引用文献 A study on the structure, mechanism, and biochemistry of kanamycin B dioxygenase (KanJ)-an enzyme with a broad range of substrates. Febs J., 288, 2021
8CC7	Mouse serotonin 5-HT3A receptor in complex with PZ-1939 分子名称: 1-(3-chlorophenyl)sulfonyl-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Lopez-Sanchez, U, Nury, H. 登録日 2023-01-26 公開日 2023-10-11 最終更新日 2023-11-22 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Superiority of the Triple-Acting 5-HT 6 R/5-HT 3 R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT 6 R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats. J.Med.Chem., 66, 2023
8CC6	Mouse serotonin 5-HT3A receptor in complex with PZ-1922 分子名称: 1-[(3-chlorophenyl)methyl]-4-piperazin-1-yl-pyrrolo[3,2-c]quinoline, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... 著者 Lopez-Sanchez, U, Nury, H. 登録日 2023-01-26 公開日 2023-10-11 最終更新日 2023-11-22 実験手法 ELECTRON MICROSCOPY (3.2 Å) 主引用文献 Superiority of the Triple-Acting 5-HT 6 R/5-HT 3 R Antagonist and MAO-B Reversible Inhibitor PZ-1922 over 5-HT 6 R Antagonist Intepirdine in Alleviation of Cognitive Deficits in Rats. J.Med.Chem., 66, 2023
8ENJ	Design, synthesis, biological evaluation, and X-ray crystallography of diarylpyrazole derivatives possessing terminal arylsulfonamide moieties as anti-proliferative agents targeting c-Jun N-terminal kinase (JNK) 分子名称: Mitogen-activated protein kinase 10, N-[3-({(4P)-4-[(3M)-1-tert-butyl-3-(3-hydroxyphenyl)-1H-pyrazol-4-yl]pyridin-2-yl}amino)propyl]-4-hydroxybenzene-1-sulfonamide 著者 Park, H, Mersal, K.I. 登録日 2022-09-30 公開日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.81 Å) 主引用文献 Evaluation of novel pyrazol-4-yl pyridine derivatives possessing arylsulfonamide tethers as c-Jun N-terminal kinase (JNK) inhibitors in leukemia cells. Eur.J.Med.Chem., 261, 2023
5WCV	AsK132958: A minimal homologue of ShK identified in the transcriptome of Anemonia sulcata 分子名称: ShK homolog AsK132958 著者 Krishnarjuna, B, MacRaild, C.A, Norton, R.S. 登録日 2017-07-02 公開日 2017-10-25 最終更新日 2023-06-14 実験手法 SOLUTION NMR 主引用文献 Structure, folding and stability of a minimal homologue from Anemonia sulcata of the sea anemone potassium channel blocker ShK. Peptides, 99, 2018
8VB1	Crystal structure of HIV-1 protease with GS-9770 分子名称: (2S)-2-{(3M)-4-chloro-3-[1-(difluoromethyl)-1H-1,2,4-triazol-5-yl]phenyl}-2-[(2E,4R)-4-[4-(2-cyclopropyl-2H-1,2,3-triazol-4-yl)phenyl]-2-imino-5-oxo-4-(3,3,3-trifluoro-2,2-dimethylpropyl)imidazolidin-1-yl]ethyl [1-(difluoromethyl)cyclopropyl]carbamate, HIV-1 protease 著者 Lansdon, E.B. 登録日 2023-12-11 公開日 2024-03-06 最終更新日 2024-04-17 実験手法 X-RAY DIFFRACTION (1.3 Å) 主引用文献 Preclinical characterization of a non-peptidomimetic HIV protease inhibitor with improved metabolic stability. Antimicrob.Agents Chemother., 68, 2024
1W7Z	Crystal structure of the free (uncomplexed) Ecballium elaterium trypsin inhibitor (EETI-II) 分子名称: FORMIC ACID, SODIUM ION, TRYPSIN INHIBITOR II 著者 Kraetzner, R, Debreczeni, J.E, Pape, T, Kolmar, H, Schneider, T.R, Uson, I, Scheldrick, G.M. 登録日 2004-09-14 公開日 2005-11-01 最終更新日 2023-12-13 実験手法 X-RAY DIFFRACTION (1.67 Å) 主引用文献 Structure of Ecballium Elaterium Trypsin Inhibitor II (Eeti-II): A Rigid Molecular Scaffold Acta Crystallogr.,Sect.D, 61, 2005
5OQW	XIAP in complex with small molecule 分子名称: 1-[6-[(4-fluorophenyl)methyl]-5-(hydroxymethyl)-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]-2-[(2~{R},5~{R})-5-methyl-2-[[(3~{R})-3-methylmorpholin-4-yl]methyl]piperazin-4-ium-1-yl]ethanone, E3 ubiquitin-protein ligase XIAP, SODIUM ION, ... 著者 Williams, P.A. 登録日 2017-08-14 公開日 2018-06-27 最終更新日 2024-05-08 実験手法 X-RAY DIFFRACTION (2.31 Å) 主引用文献 ASTX660, a Novel Non-peptidomimetic Antagonist of cIAP1/2 and XIAP, Potently Induces TNF alpha-Dependent Apoptosis in Cancer Cell Lines and Inhibits Tumor Growth. Mol. Cancer Ther., 17, 2018
4NDK	Crystal structure of a computational designed engrailed homeodomain variant fused with YFP 分子名称: E23P-YFP, GFP-like fluorescent chromoprotein FP506, related, ... 著者 Mou, Y, Mayo, S.L. 登録日 2013-10-26 公開日 2014-11-05 最終更新日 2017-10-18 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants. J.Mol.Biol., 427, 2015
4NDJ	Crystal Structure of a computational designed engrailed homeodomain variant fused with YFP 分子名称: Green fluorescent protein, chimeric construct,GFP-like fluorescent chromoprotein FP506, related 著者 Mou, Y, Mayo, S.L. 登録日 2013-10-26 公開日 2014-11-05 最終更新日 2017-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 Using Molecular Dynamics Simulations as an Aid in the Prediction of Domain Swapping of Computationally Designed Protein Variants. J.Mol.Biol., 427, 2015
1MM7	Crystal Structure of the GluR2 Ligand Binding Core (S1S2J) in Complex with Quisqualate in a Zinc Crystal Form at 1.65 Angstroms Resolution 分子名称: (S)-2-AMINO-3-(3,5-DIOXO-[1,2,4]OXADIAZOLIDIN-2-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION 著者 Jin, R, Horning, M, Mayer, M.L, Gouaux, E. 登録日 2002-09-03 公開日 2003-02-04 最終更新日 2017-08-02 実験手法 X-RAY DIFFRACTION (1.65 Å) 主引用文献 Mechanism of Activation and Selectivity in a Ligand-Gated Ion Channel: Structural and Functional Studies of GluR2 and Quisqualate Biochemistry, 41, 2003
1MY3	crystal structure of glutamate receptor ligand-binding core in complex with bromo-willardiine in the Zn crystal form 分子名称: 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION 著者 Jin, R, Gouaux, E. 登録日 2002-10-03 公開日 2003-06-10 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal Biochemistry, 42, 2003
1MY0	crystal titration experiments (AMPA co-crystals soaked in 100 nM BrW) 分子名称: GLUTAMATE RECEPTOR 2, ZINC ION 著者 Jin, R, Gouaux, E. 登録日 2002-10-03 公開日 2003-06-10 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal Biochemistry, 42, 2003
1MXU	CRYSTAL STRUCTURE OF THE GLUR2 LIGAND BINDING CORE (S1S2J) in complex with bromo-willardiine (Control for the crystal titration experiments) 分子名称: 2-AMINO-3-(5-BROMO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION 著者 Jin, R, Gouaux, E. 登録日 2002-10-03 公開日 2003-06-10 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal Biochemistry, 42, 2003
1MXW	crystal titration experiments (AMPA co-crystals soaked in 1 mM BrW) 分子名称: GLUTAMATE RECEPTOR 2, ZINC ION 著者 Jin, R, Gouaux, E. 登録日 2002-10-03 公開日 2003-06-10 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Probing the function, conformational plasticity, and dimer-dimer contacts of the GluR2 ligand-binding core: studies of 5-substituted willardiines and GluR2 S1S2 in the crystal. Biochemistry, 42, 2003
1MXY	crystal titration experiments (AMPA co-crystals soaked in 10 uM BrW) 分子名称: GLUTAMATE RECEPTOR 2, ZINC ION 著者 Jin, R, Gouaux, E. 登録日 2002-10-03 公開日 2003-06-10 最終更新日 2024-04-03 実験手法 X-RAY DIFFRACTION (1.95 Å) 主引用文献 Probing the function, conformational plasticity, and dimer-dimer contacts of the GluR2 ligand-binding core: studies of 5-substituted willardiines and GluR2 S1S2 in the crystal. Biochemistry, 42, 2003
1MY4	crystal structure of glutamate receptor ligand-binding core in complex with iodo-willardiine in the Zn crystal form 分子名称: 2-AMINO-3-(5-IODO-2,4-DIOXO-3,4-DIHYDRO-2H-PYRIMIDIN-1-YL)-PROPIONIC ACID, GLUTAMATE RECEPTOR 2, ZINC ION 著者 Jin, R, Gouaux, E. 登録日 2002-10-03 公開日 2003-06-10 最終更新日 2017-08-23 実験手法 X-RAY DIFFRACTION (1.9 Å) 主引用文献 Probing the Function, Conformational Plasticity, and Dimer-Dimer Contacts of the GluR2 Ligand-Binding Core: Studies of 5-Substituted Willardiines and GluR2 S1S2 in the Crystal Biochemistry, 42, 2003
8TN8	Crystal structure of the murine astrovirus capsid spike at 1.75 A 分子名称: Capsid polyprotein VP90, POTASSIUM ION 著者 Lanning, S, DuBois, R.M. 登録日 2023-08-01 公開日 2023-11-15 実験手法 X-RAY DIFFRACTION (1.75 Å) 主引用文献 Structure and immunogenicity of the murine astrovirus capsid spike. J.Gen.Virol., 104, 2023
8P8E	Crystal structure of endolysin gp46 from Pseudomonas aeruginosa bacteriophage vB_PaeM_KTN6 分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, DI(HYDROXYETHYL)ETHER, Glycoside hydrolase family protein 著者 van Raaij, M.J, Sanz-Gaitero, M. 登録日 2023-06-01 公開日 2024-05-08 実験手法 X-RAY DIFFRACTION (1.391 Å) 主引用文献 Structural and Biochemical Characterization of a New Phage-Encoded Muramidase, KTN6 Gp46 PHAGE, 2024
7S6Z	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI33 分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(ethylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S70	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI34 分子名称: (1R,2S,5S)-N-{(2S,3R)-4-(butylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (2.6 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S6Y	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI32 分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-[(cyclopropylmethyl)amino]-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S74	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI38 分子名称: 3C-like proteinase, N-(tert-butylcarbamoyl)-3-methyl-L-valyl-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-4-methyl-L-leucinamide 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S71	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI35 分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S,3R)-4-(hexylamino)-3-hydroxy-4-oxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.85 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022
7S6W	Structure of the SARS-CoV-2 main protease in complex with inhibitor MPI29 分子名称: (1R,2S,5S)-3-[N-(tert-butylcarbamoyl)-3-methyl-L-valyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide, 3C-like proteinase 著者 Yang, K.S, Sankaran, B, Liu, W.R. 登録日 2021-09-15 公開日 2022-07-27 最終更新日 2023-11-15 実験手法 X-RAY DIFFRACTION (2.29 Å) 主引用文献 A systematic exploration of boceprevir-based main protease inhibitors as SARS-CoV-2 antivirals. Eur.J.Med.Chem., 240, 2022

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