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

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6XB1	Room temperature X-ray crystallography reveals catalytic cysteine in the SARS-CoV-2 3CL Mpro is highly reactive: Insights for enzyme mechanism and drug design 分子名称: 1-ETHYL-PYRROLIDINE-2,5-DIONE, 3C-like proteinase 著者 Kneller, D.W, Kovalevsky, A, Coates, L. 登録日 2020-06-05 公開日 2020-06-17 最終更新日 2023-10-18 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Room-temperature X-ray crystallography reveals the oxidation and reactivity of cysteine residues in SARS-CoV-2 3CL M pro : insights into enzyme mechanism and drug design. Iucrj, 7, 2020
5ZSE	Crystal structure of monkey TLR7 in complex with IMDQ and GGUCCC 分子名称: 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 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 Zhang, Z, Ohto, U, Shimizu, T. 登録日 2018-04-28 公開日 2019-01-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.201 Å) 主引用文献 Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands. Cell Rep, 25, 2018
7BGB	The H/ACA RNP lobe of human telomerase 分子名称: H/ACA ribonucleoprotein complex subunit 1, H/ACA ribonucleoprotein complex subunit 2, H/ACA ribonucleoprotein complex subunit 3, ... 著者 Nguyen, T.H.D, Ghanim, G.E, Fountain, A.J, van Roon, A.M.M, Rangan, R, Das, R, Collins, K. 登録日 2021-01-06 公開日 2021-04-28 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (3.4 Å) 主引用文献 Structure of human telomerase holoenzyme with bound telomeric DNA. Nature, 593, 2021
7BG9	The catalytic core lobe of human telomerase in complex with a telomeric DNA substrate 分子名称: DNA (5'-D(P*TP*TP*AP*GP*GP*G)-3'), Histone H2A, Histone H2B, ... 著者 Nguyen, T.H.D, Ghanim, G.E, Fountain, A.J, van Roon, A.M.M, Rangan, R, Das, R, Collins, K. 登録日 2021-01-06 公開日 2021-04-28 最終更新日 2024-05-01 実験手法 ELECTRON MICROSCOPY (3.8 Å) 主引用文献 Structure of human telomerase holoenzyme with bound telomeric DNA. Nature, 593, 2021
5ZSD	Crystal structure of monkey TLR7 in complex with IMDQ and GGUUGG 分子名称: 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 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 Zhang, Z, Ohto, U, Shimizu, T. 登録日 2018-04-28 公開日 2019-01-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.603 Å) 主引用文献 Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands. Cell Rep, 25, 2018
5ZSM	Crystal structure of monkey TLR7 in complex with GGUCCC 分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-amino-9-[(2S,3aR,4R,6R,6aR)-2-hydroxy-6-(hydroxymethyl)-2-oxotetrahydro-2H-2lambda~5~-furo[3,4-d][1,3,2]dioxaphosphol-4-yl]-3,9-dihydro-6H-purin-6-one, ... 著者 Zhang, Z, Ohto, U, Shimizu, T. 登録日 2018-04-28 公開日 2019-01-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands. Cell Rep, 25, 2018
7W3Z	Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Gastrin Releasing Peptide and Gq heterotrimers 分子名称: Gastrin Releasing Peptide PRGNHWAVGHLM(NH2), Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... 著者 Zhan, Y, Peng, S, Zhang, H. 登録日 2021-11-26 公開日 2023-02-22 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy. Proc.Natl.Acad.Sci.USA, 120, 2023
7W40	Cryo-EM Structure of Human Gastrin Releasing Peptide Receptor in complex with the agonist Bombesin (6-14) [D-Phe6, beta-Ala11, Phe13, Nle14] and Gq heterotrimers 分子名称: Bombesin, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, ... 著者 Zhan, Y, Peng, S, Zhang, H. 登録日 2021-11-26 公開日 2023-02-22 実験手法 ELECTRON MICROSCOPY (3 Å) 主引用文献 Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy. Proc.Natl.Acad.Sci.USA, 120, 2023
7W41	Crystal Structure of Human Gastrin Releasing Peptide Receptor in complex with the antagonist PD176252 分子名称: (2S)-3-(1H-indol-3-yl)-N-[[1-(5-methoxypyridin-2-yl)cyclohexyl]methyl]-2-methyl-2-[(4-nitrophenyl)carbamoylamino]propanamide, Gastrin-releasing peptide receptor,GlgA glycogen synthase 著者 Peng, S, Zhan, Y, Zhang, H. 登録日 2021-11-26 公開日 2023-02-22 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.952 Å) 主引用文献 Structures of human gastrin-releasing peptide receptors bound to antagonist and agonist for cancer and itch therapy. Proc.Natl.Acad.Sci.USA, 120, 2023
6BUV	Structure of Mycobacterium tuberculosis NadD in complex with inhibitor [(1~{R},2~{R},5~{S})-5-methyl-2-propan-2-yl-cyclohexyl] 2-[3-methyl-2-(phenoxymethyl)benzimidazol-1-yl]ethanoate 分子名称: 1-methyl-3-(2-{[(1R,2R,5S)-5-methyl-2-(propan-2-yl)cyclohexyl]oxy}-2-oxoethyl)-2-(phenoxymethyl)-1H-1,3-benzimidazol-3-ium, CHLORIDE ION, SODIUM ION, ... 著者 Rodionova, I.A, Reed, R.W, Sorci, L, Osterman, A.L, Korotkov, K.V. 登録日 2017-12-11 公開日 2018-12-12 最終更新日 2024-05-01 実験手法 X-RAY DIFFRACTION (1.86 Å) 主引用文献 Novel Antimycobacterial Compounds Suppress NAD Biogenesis by Targeting a Unique Pocket of NaMN Adenylyltransferase. Acs Chem.Biol., 14, 2019
5ZSB	Crystal structure of monkey TLR7 in complex with IMDQ and AAUUAA 分子名称: 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 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 Zhang, Z, Ohto, U, Shimizu, T. 登録日 2018-04-28 公開日 2019-01-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.7 Å) 主引用文献 Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands. Cell Rep, 25, 2018
4OJQ	Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Fragment 1 [(5-bromo-1H-indol-3-yl)acetic acid] 分子名称: (5-bromo-1H-indol-3-yl)acetic acid, CALCIUM ION, Serine protease NS3 著者 Padyana, A.K. 登録日 2014-01-21 公開日 2014-03-05 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (2.25 Å) 主引用文献 Integrated strategies for identifying leads that target the NS3 helicase of the hepatitis C virus. J.Med.Chem., 57, 2014
7UMJ	Crystal structure of recombinant Solieria filiformis lectin (rSfL) 分子名称: Lectin SfL-1, SULFATE ION 著者 Chaves, R.P, Bezerra, E.H.S, da Silva, F.M.S, Carneiro, R.F, Sampaio, A.H, Rocha, B.A.M, Nagano, C.S. 登録日 2022-04-07 公開日 2023-10-11 実験手法 X-RAY DIFFRACTION (1.88 Å) 主引用文献 Structural study and antimicrobial and wound healing effects of lectin from Solieria filiformis (Kutzing) P.W.Gabrielson. Biochimie, 214, 2023
4MVL	Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40 分子名称: Beta-amyloid protein 40, Neutrophil gelatinase-associated lipocalin 著者 Eichinger, A, Skerra, A. 登録日 2013-09-24 公開日 2015-08-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide. Biochem.J., 473, 2016
4MP7	Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PA7 分子名称: 4-(1,3-dihydro-2H-isoindol-2-ylcarbonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... 著者 Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. 登録日 2013-09-12 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.8 Å) 主引用文献 Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
7CFZ	SH3 domain of NADPH oxidase activator 1 分子名称: NADPH oxidase activator 1 著者 Kim, M, Park, J.H, Attri, P, Lee, W. 登録日 2020-06-29 公開日 2021-07-07 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (1.89 Å) 主引用文献 Structural modification of NADPH oxidase activator (Noxa 1) by oxidative stress: An experimental and computational study. Int.J.Biol.Macromol., 163, 2020
4MPE	Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS8 分子名称: 4-[(5-hydroxy-1,3-dihydro-2H-isoindol-2-yl)sulfonyl]benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... 著者 Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. 登録日 2013-09-12 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.953 Å) 主引用文献 Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
5XE3	Endoribonuclease in complex with its cognate antitoxin from Mycobacterial species 分子名称: Endoribonuclease MazF4, Probable antitoxin MazE4 著者 Ahn, D.-H, Lee, K.-Y, Lee, S.J, Yoon, H.J, Kim, S.-J, Lee, B.-J. 登録日 2017-03-31 公開日 2017-10-11 最終更新日 2023-11-22 実験手法 X-RAY DIFFRACTION (2.3 Å) 主引用文献 Structural analyses of the MazEF4 toxin-antitoxin pair in Mycobacterium tuberculosis provide evidence for a unique extracellular death factor. J. Biol. Chem., 292, 2017
6AUI	Human ribonucleotide reductase large subunit (alpha) with dATP and CDP 分子名称: 2'-DEOXYADENOSINE 5'-TRIPHOSPHATE, CYTIDINE-5'-DIPHOSPHATE, MAGNESIUM ION, ... 著者 Brignole, E.J, Drennan, C.L, Asturias, F.J, Tsai, K.L, Penczek, P.A. 登録日 2017-09-01 公開日 2018-04-18 最終更新日 2024-03-13 実験手法 ELECTRON MICROSCOPY (3.3 Å) 主引用文献 3.3- angstrom resolution cryo-EM structure of human ribonucleotide reductase with substrate and allosteric regulators bound. Elife, 7, 2018
4MVI	Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the Alzheimer amyloid peptide Abeta(1-40) 分子名称: Beta-amyloid protein 40, Neutrophil gelatinase-associated lipocalin 著者 Eichinger, A, Skerra, A. 登録日 2013-09-24 公開日 2015-08-12 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (1.7 Å) 主引用文献 High-affinity Anticalins with aggregation-blocking activity directed against the Alzheimer beta-amyloid peptide. Biochem.J., 473, 2016
5ZSF	Crystal structure of monkey TLR7 in complex with imiquimod 分子名称: 1-(2-methylpropyl)imidazo[4,5-c]quinolin-4-amine, 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 Zhang, Z, Ohto, U, Shimizu, T. 登録日 2018-04-28 公開日 2019-01-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.1 Å) 主引用文献 Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands. Cell Rep, 25, 2018
4N4K	Kuenenia stuttgartiensis hydroxylamine oxidoreductase soaked in hydroxylamine 分子名称: 1,2-ETHANEDIOL, HEME C, HYDROXYAMINE, ... 著者 Maalcke, W.J, Dietl, A, Marritt, S.J, Butt, J.N, Jetten, M.S.M, Keltjens, J.T, Barends, T.R.M.B, Kartal, B. 登録日 2013-10-08 公開日 2013-12-11 最終更新日 2023-09-20 実験手法 X-RAY DIFFRACTION (2.2 Å) 主引用文献 Structural Basis of Biological NO Generation by Octaheme Oxidoreductases. J.Biol.Chem., 289, 2014
4MPC	Crystal structure of pyruvate dehydrogenase kinase isoform 2 in complex with inhibitor PS2 分子名称: 4-(isoindolin-2-ylsulfonyl)benzene-1,3-diol, L(+)-TARTARIC ACID, [Pyruvate dehydrogenase [lipoamide]] kinase isozyme 2, ... 著者 Gui, W.J, Tso, S.C, Chuang, J.L, Wu, C.Y, Qi, X, Tambar, U.K, Wynn, R.M, Chuang, D.T. 登録日 2013-09-12 公開日 2014-01-01 最終更新日 2024-02-28 実験手法 X-RAY DIFFRACTION (1.699 Å) 主引用文献 Structure-guided Development of Specific Pyruvate Dehydrogenase Kinase Inhibitors Targeting the ATP-binding Pocket. J.Biol.Chem., 289, 2014
7XRR	Crystal structure of the human OX2R bound to the insomnia drug lemborexant. 分子名称: (1~{R},2~{S})-2-[(2,4-dimethylpyrimidin-5-yl)oxymethyl]-~{N}-(5-fluoranylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropane-1-carboxamide, Orexin receptor type 2 著者 Asada, H, Im, D, Iwata, S. 登録日 2022-05-11 公開日 2022-11-23 最終更新日 2023-11-29 実験手法 X-RAY DIFFRACTION (2.89 Å) 主引用文献 Molecular basis for anti-insomnia drug design from structure of lemborexant-bound orexin 2 receptor. Structure, 30, 2022
5ZSA	Crystal structure of monkey TLR7 in complex with IMDQ and UUUUUU 分子名称: 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine, 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 Zhang, Z, Ohto, U, Shimizu, T. 登録日 2018-04-28 公開日 2019-01-30 最終更新日 2024-03-13 実験手法 X-RAY DIFFRACTION (2.5 Å) 主引用文献 Structural Analyses of Toll-like Receptor 7 Reveal Detailed RNA Sequence Specificity and Recognition Mechanism of Agonistic Ligands. Cell Rep, 25, 2018

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