6CHL
 
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (2.2 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CHQ
 | | Phosphopantetheine adenylyltransferase (CoaD) in complex with 2-benzyl-N-(3-chloro-4-methylphenyl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine | | 分子名称: | 2-benzyl-7-[(3-chloro-4-methylphenyl)amino]-5-methyl-3H-[1,2,4]triazolo[1,5-a]pyrimidin-8-ium, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-22 | | 公開日 | 2018-04-04 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.79 Å) | | 主引用文献 | Discovery and Optimization of Phosphopantetheine Adenylyltransferase Inhibitors with Gram-Negative Antibacterial Activity.
J. Med. Chem., 61, 2018
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6CHM
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6CCK
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-3-(3-chlorophenyl)-3-((5-methyl-7-oxo-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino)propanenitrile | | 分子名称: | (3R)-3-(3-chlorophenyl)-3-[(5-methyl-7-oxo-6,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)amino]propanenitrile, ADENOSINE-5'-TRIPHOSPHATE, MAGNESIUM ION, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-07 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.61 Å) | | 主引用文献 | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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6CCN
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with (R)-2,4-dihydroxy-N-(2-(4-hydroxy-1H-benzo[d]imidazol-2-yl)ethyl)-3,3-dimethylbutanamide | | 分子名称: | (2R)-2,4-dihydroxy-N-[2-(7-hydroxy-1H-benzimidazol-2-yl)ethyl]-3,3-dimethylbutanamide, Phosphopantetheine adenylyltransferase, SULFATE ION | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-07 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.87 Å) | | 主引用文献 | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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6CHP
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6CCL
 | | Crystal structure of E.coli Phosphopantetheine Adenylyltransferase (PPAT/CoaD) in complex with 1-benzyl-1H-imidazo[4,5-b]pyridine | | 分子名称: | 1-benzyl-1H-imidazo[4,5-b]pyridine, DIMETHYL SULFOXIDE, Phosphopantetheine adenylyltransferase, ... | | 著者 | Mamo, M, Appleton, B.A. | | 登録日 | 2018-02-07 | | 公開日 | 2018-03-14 | | 最終更新日 | 2024-03-13 | | 実験手法 | X-RAY DIFFRACTION (1.77 Å) | | 主引用文献 | Fragment-Based Drug Discovery of Inhibitors of Phosphopantetheine Adenylyltransferase from Gram-Negative Bacteria.
J. Med. Chem., 61, 2018
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6M0J
 | | Crystal structure of SARS-CoV-2 spike receptor-binding domain bound with ACE2 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Angiotensin-converting enzyme 2, CHLORIDE ION, ... | | 著者 | Wang, X, Lan, J, Ge, J, Yu, J, Shan, S. | | 登録日 | 2020-02-21 | | 公開日 | 2020-03-18 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | | 主引用文献 | Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor.
Nature, 581, 2020
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3TMZ
 | | Crystal Structure of P450 2B4(H226Y) in complex with Amlodipine | | 分子名称: | 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Amlodipine, Cytochrome P450 2B4, ... | | 著者 | Shah, M.B, Pascual, J, Stout, C.D, Halpert, J.R. | | 登録日 | 2011-09-01 | | 公開日 | 2012-09-12 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.248 Å) | | 主引用文献 | Conformational Adaptation of Human Cytochrome P450 2B6 and Rabbit Cytochrome P450 2B4 Revealed upon Binding Multiple Amlodipine Molecules.
Biochemistry, 51, 2012
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6K9O
 | | Crystal Structure Analysis of Protein | | 分子名称: | Endo-1,4-beta-xylanase 2, GLYCEROL, IODIDE ION | | 著者 | Li, C, Wan, Q. | | 登録日 | 2019-06-17 | | 公開日 | 2020-06-17 | | 最終更新日 | 2023-11-22 | | 実験手法 | X-RAY DIFFRACTION (1.06 Å) | | 主引用文献 | Studying the Role of a Single Mutation of a Family 11 Glycoside Hydrolase Using High-Resolution X-ray Crystallography.
Protein J., 39, 2020
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3UA5
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3V6G
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3V78
 | | Crystal Structure of Transcriptional Regulator | | 分子名称: | ETHIDIUM, PROBABLE TRANSCRIPTIONAL REGULATORY PROTEIN (PROBABLY DEOR-FAMILY) | | 著者 | Do, S.V, Bolla, J.R, Chen, X, Yu, E.W. | | 登録日 | 2011-12-20 | | 公開日 | 2012-12-26 | | 最終更新日 | 2023-09-13 | | 実験手法 | X-RAY DIFFRACTION (2.299 Å) | | 主引用文献 | Structural and functional analysis of the transcriptional regulator Rv3066 of Mycobacterium tuberculosis.
Nucleic Acids Res., 40, 2012
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7LB7
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (3CL Mpro) in complex with Telaprevir | | 分子名称: | (1S,3aR,6aS)-2-[(2S)-2-({(2S)-2-cyclohexyl-2-[(pyrazin-2-ylcarbonyl)amino]acetyl}amino)-3,3-dimethylbutanoyl]-N-[(2R,3S)-1-(cyclopropylamino)-2-hydroxy-1-oxohexan-3-yl]octahydrocyclopenta[c]pyrrole-1-carboxamide, 3C-like proteinase | | 著者 | Kovalevsky, A.Y, Kneller, D.W, Coates, L. | | 登録日 | 2021-01-07 | | 公開日 | 2021-01-20 | | 最終更新日 | 2024-04-03 | | 実験手法 | NEUTRON DIFFRACTION (2 Å), X-RAY DIFFRACTION | | 主引用文献 | Direct Observation of Protonation State Modulation in SARS-CoV-2 Main Protease upon Inhibitor Binding with Neutron Crystallography.
J.Med.Chem., 64, 2021
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7D0D
 | | S protein of SARS-CoV-2 in complex bound with P5A-3C12_2B | | 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, Heavy chain of P5A-3C12, ... | | 著者 | Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | | 登録日 | 2020-09-09 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-05-19 | | 実験手法 | ELECTRON MICROSCOPY (3.8 Å) | | 主引用文献 | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
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7D0C
 | | S protein of SARS-CoV-2 in complex bound with P5A-3A1 | | 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, Heavy chain of P5A-3A1, ... | | 著者 | Yan, R.H, Wang, R.K, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | | 登録日 | 2020-09-09 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-05-19 | | 実験手法 | ELECTRON MICROSCOPY (3.4 Å) | | 主引用文献 | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
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7D0B
 | | S protein of SARS-CoV-2 in complex bound with P5A-3C12_1B | | 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, Heavy chain of P5A-3C12, ... | | 著者 | Yan, R.H, Wang, R.K, Ju, B, Yu, J.F, Zhang, Y.Y, Liu, N, Wang, H.W, Wang, X.Q, Zhang, L.Q, Zhou, Q. | | 登録日 | 2020-09-09 | | 公開日 | 2021-03-10 | | 最終更新日 | 2021-05-19 | | 実験手法 | ELECTRON MICROSCOPY (3.9 Å) | | 主引用文献 | Structural basis for bivalent binding and inhibition of SARS-CoV-2 infection by human potent neutralizing antibodies.
Cell Res., 31, 2021
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8IQ1
 | | Crystal structure of hydrogen sulfide-bound superoxide dismutase in reduced state | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | 著者 | Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. | | 登録日 | 2023-03-15 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.8 Å) | | 主引用文献 | Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
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8IQ0
 | | Crystal structure of hydrogen sulfide-bound superoxide dismutase in oxidized state | | 分子名称: | 1,2-ETHANEDIOL, CHLORIDE ION, COPPER (II) ION, ... | | 著者 | Zhou, J.H, Huang, W.X, Cheng, R.X, Zhang, P.J, Zhu, Y.C. | | 登録日 | 2023-03-15 | | 公開日 | 2023-09-06 | | 実験手法 | X-RAY DIFFRACTION (1.88 Å) | | 主引用文献 | Hydrogen sulfide functions as a micro-modulator bound at the copper active site of Cu/Zn-SOD to regulate the catalytic activity of the enzyme.
Cell Rep, 42, 2023
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7FJN
 | | Cryo-EM structure of South African (B.1.351) SARS-CoV-2 spike glycoprotein in complex with two T6 Fab | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein,Envelope glycoprotein, T6 heavy chain, ... | | 著者 | Wang, X, Zhang, L, Zhang, S, Liang, Q. | | 登録日 | 2021-08-04 | | 公開日 | 2022-04-27 | | 実験手法 | ELECTRON MICROSCOPY (3.25 Å) | | 主引用文献 | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
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7FJS
 | | Crystal structure of T6 Fab bound to theSARS-CoV-2 RBD of B.1.351 | | 分子名称: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, T6 heavy chain, ... | | 著者 | Wang, X, Zhang, L, Zhang, S, Liang, Q. | | 登録日 | 2021-08-04 | | 公開日 | 2022-04-27 | | 最終更新日 | 2023-11-29 | | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | | 主引用文献 | RBD trimer mRNA vaccine elicits broad and protective immune responses against SARS-CoV-2 variants.
Iscience, 25, 2022
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7N8C
 | | Joint X-ray/neutron structure of SARS-CoV-2 main protease (Mpro) in complex with Mcule5948770040 | | 分子名称: | 3C-like proteinase, 6-[4-(3,4-dichlorophenyl)piperazin-1-yl]carbonyl-1~{H}-pyrimidine-2,4-dione | | 著者 | Kovalevsky, A, Kneller, D.W, Coates, L. | | 登録日 | 2021-06-14 | | 公開日 | 2021-06-23 | | 最終更新日 | 2023-10-25 | | 実験手法 | NEUTRON DIFFRACTION (2.2 Å), X-RAY DIFFRACTION | | 主引用文献 | Structural, Electronic, and Electrostatic Determinants for Inhibitor Binding to Subsites S1 and S2 in SARS-CoV-2 Main Protease.
J.Med.Chem., 64, 2021
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7N89
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7D0L
 | | The major capsid of Omono River virus (strain:LZ), protrusion-free status. | | 分子名称: | Capsid protein | | 著者 | Shao, Q, Jia, X, Gao, Y, Liu, Z. | | 登録日 | 2020-09-11 | | 公開日 | 2021-03-03 | | 最終更新日 | 2024-03-27 | | 実験手法 | ELECTRON MICROSCOPY (2.95 Å) | | 主引用文献 | Cryo-EM reveals a previously unrecognized structural protein of a dsRNA virus implicated in its extracellular transmission.
Plos Pathog., 17, 2021
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7CZ6
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