6O9E
| Structure of HIV-1 Reverse Transcriptase in complex with DNA and INDOPY-1 | 分子名称: | 5-methyl-1-(4-nitrophenyl)-2-oxo-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile, AMMONIUM ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ruiz, F.X, Hoang, A, Das, K, Arnold, E. | 登録日 | 2019-03-13 | 公開日 | 2019-10-23 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.4 Å) | 主引用文献 | Structural Basis of HIV-1 Inhibition by Nucleotide-Competing Reverse Transcriptase Inhibitor INDOPY-1. J.Med.Chem., 62, 2019
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5M2F
| Crystal structure of human AKR1B10 complexed with NADP+ and the synthetic retinoid UVI2008 | 分子名称: | 1,2-ETHANEDIOL, 3-bromo-4-[(1E)-2-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)prop-1-en-1-yl]benzoic acid, Aldo-keto reductase family 1 member B10, ... | 著者 | Ruiz, F.X, Cousido-Siah, A, Mitschler, A, Porte, S, Alvarez, S, Dominguez, M, Alvarez, R, de Lera, A.R, Pares, X, Farres, J, Podjarny, A. | 登録日 | 2016-10-12 | 公開日 | 2017-02-15 | 最終更新日 | 2024-01-17 | 実験手法 | X-RAY DIFFRACTION (1.503 Å) | 主引用文献 | Structural basis for the inhibition of AKR1B10 by the C3 brominated TTNPB derivative UVI2008. Chem. Biol. Interact., 276, 2017
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4XZM
| Crystal structure of the methylated wild-type AKR1B10 holoenzyme | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | 登録日 | 2015-02-04 | 公開日 | 2015-11-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.75 Å) | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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6BHJ
| Structure of HIV-1 Reverse Transcriptase Bound to a 38-mer Hairpin Template-Primer RNA-DNA Aptamer | 分子名称: | 38-MER RNA-DNA Aptamer, GLYCEROL, HIV-1 REVERSE TRANSCRIPTASE P51 subunit, ... | 著者 | Ruiz, F.X, Miller, M.T, Tuske, S, Das, K, Arnold, E. | 登録日 | 2017-10-30 | 公開日 | 2018-10-31 | 最終更新日 | 2023-10-04 | 実験手法 | X-RAY DIFFRACTION (2.81 Å) | 主引用文献 | Integrative Structural Biology Studies of HIV-1 Reverse Transcriptase Binding to a High-Affinity DNA Aptamer Curr Res Struct Biol, 2020
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4XZH
| Crystal structure of human Aldose Reductase complexed with NADP+ and JF0048 | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [3-(4-chloro-3-nitrobenzyl)-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | 登録日 | 2015-02-04 | 公開日 | 2015-11-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1 Å) | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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4XZL
| Crystal structure of human AKR1B10 complexed with NADP+ and JF0049 | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ... | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | 登録日 | 2015-02-04 | 公開日 | 2015-11-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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4XZI
| Crystal structure of human Aldose Reductase complexed with NADP+ and JF0049 | 分子名称: | Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2,4-dioxo-3-(2,3,4,5-tetrabromo-6-methoxybenzyl)-3,4-dihydropyrimidin-1(2H)-yl]acetic acid | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Dominguez, M, de Lera, A.R, Farres, J, Pares, X, Podjarny, A. | 登録日 | 2015-02-04 | 公開日 | 2015-11-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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4XZN
| Crystal structure of the methylated K125R/V301L AKR1B10 Holoenzyme | 分子名称: | 1,2-ETHANEDIOL, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | 著者 | Cousido-Siah, A, Ruiz, F.X, Mitschler, A, Podjarny, A. | 登録日 | 2015-02-04 | 公開日 | 2015-11-18 | 最終更新日 | 2024-01-10 | 実験手法 | X-RAY DIFFRACTION (1.7 Å) | 主引用文献 | Structural Determinants of the Selectivity of 3-Benzyluracil-1-acetic Acids toward Human Enzymes Aldose Reductase and AKR1B10. Chemmedchem, 10, 2015
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7KWU
| Crystal Structure of HIV-1 RT in Complex with 16c (K07-15) | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide, MAGNESIUM ION, ... | 著者 | Ruiz, F.X, Arnold, E. | 登録日 | 2020-12-02 | 公開日 | 2021-03-31 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.02 Å) | 主引用文献 | 2,4,5-Trisubstituted Pyrimidines as Potent HIV-1 NNRTIs: Rational Design, Synthesis, Activity Evaluation, and Crystallographic Studies. J.Med.Chem., 64, 2021
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7LRM
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, dCTP, and CA(2+) ion | 分子名称: | 2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE, CALCIUM ION, DNA/RNA (38-MER), ... | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | 登録日 | 2021-02-16 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.14 Å) | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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7LRY
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, (-)FTC-TP, and CA(2+) ion | 分子名称: | AMMONIUM ION, CALCIUM ION, DNA/RNA (38-MER), ... | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | 登録日 | 2021-02-17 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.45 Å) | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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7LRI
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, dTTP, and CA(2+) ion | 分子名称: | CALCIUM ION, DNA/RNA (38-MER), GLYCEROL, ... | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | 登録日 | 2021-02-16 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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7LRX
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dCTP, and CA(2+) ion | 分子名称: | 4-amino-1-{2-deoxy-5-O-[(R)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}pyrimidin-2(1H)-one, AMMONIUM ION, CALCIUM ION, ... | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | 登録日 | 2021-02-17 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.9 Å) | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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7LSK
| Structure of HIV-1 Reverse Transcriptase in complex with DNA, L-dTTP, and CA(2+) ion | 分子名称: | 1-{2-deoxy-5-O-[(S)-hydroxy{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}phosphoryl]-beta-L-erythro-pentofuranosyl}-5-methylpyrimidine-2,4(1H,3H)-dione, AMMONIUM ION, CALCIUM ION, ... | 著者 | Hoang, A, Ruiz, F.X, Arnold, E. | 登録日 | 2021-02-18 | 公開日 | 2022-02-23 | 最終更新日 | 2023-10-18 | 実験手法 | X-RAY DIFFRACTION (2.7 Å) | 主引用文献 | Structural basis of HIV inhibition by L-nucleosides: Opportunities for drug development and repurposing. Drug Discov Today, 27, 2022
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6UL5
| Crystal structure of HIV-1 reverse transcriptase (RT) in complex with 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile (24b), a non-nucleoside RT inhibitor | 分子名称: | 1,2-ETHANEDIOL, 4-[(4-{4-[(E)-2-cyanoethenyl]-2,6-dimethylphenoxy}thieno[3,2-d]pyrimidin-2-yl)amino]-2-fluorobenzonitrile, MAGNESIUM ION, ... | 著者 | Ruiz, F.X, Pilch, A, Arnold, E. | 登録日 | 2019-10-06 | 公開日 | 2020-02-05 | 最終更新日 | 2023-10-11 | 実験手法 | X-RAY DIFFRACTION (2.23 Å) | 主引用文献 | Discovery and Characterization of Fluorine-Substituted Diarylpyrimidine Derivatives as Novel HIV-1 NNRTIs with Highly Improved Resistance Profiles and Low Activity for the hERG Ion Channel. J.Med.Chem., 63, 2020
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1ZUA
| Crystal Structure Of AKR1B10 Complexed With NADP+ And Tolrestat | 分子名称: | Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, TOLRESTAT | 著者 | Gallego, O, Ruiz, F.X, Ardevol, A, Dominguez, M, Alvarez, R, de Lera, A.R, Rovira, C, Farres, J, Fita, I, Pares, X. | 登録日 | 2005-05-30 | 公開日 | 2006-11-07 | 最終更新日 | 2023-10-25 | 実験手法 | X-RAY DIFFRACTION (1.25 Å) | 主引用文献 | Structural basis for the high all-trans-retinaldehyde reductase activity of the tumor marker AKR1B10. Proc.Natl.Acad.Sci.USA, 104, 2007
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8UOB
| SARS-CoV-2 Papain-like protease (PLpro) with Inhibitor Jun12682 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-N-{(1R)-1-[(3M,5P)-3-(1-ethyl-1H-pyrazol-3-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-2-methylbenzamide, CHLORIDE ION, Papain-like protease nsp3, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Wang, J, Arnold, E. | 登録日 | 2023-10-19 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.52 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUG
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12303 | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-01 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.74 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUH
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12199 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-[(1R)-1-{(3M,5P)-3-(1-methyl-1H-pyrazol-4-yl)-5-[1-(propan-2-yl)-1H-pyrazol-4-yl]phenyl}ethyl]benzamide, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-01 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (2.8 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUW
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12145 | 分子名称: | 5-[2-(dimethylamino)ethoxy]-2-methyl-N-{(1R)-1-[(3P,5M)-3-(1-methyl-1H-pyrazol-4-yl)-5-(1,3-thiazol-5-yl)phenyl]ethyl}benzamide, ACETATE ION, CHLORIDE ION, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-02 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.2 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUY
| SARS-CoV-2 papain-like protease (PLpro) complex with inhibitor Jun12129 | 分子名称: | ACETATE ION, CHLORIDE ION, DI(HYDROXYETHYL)ETHER, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-02 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.05 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUU
| SARS-Cov-2 papain-like protease (PLpro) with inhibitor Jun12162 | 分子名称: | ACETATE ION, CHLORIDE ION, GLYCEROL, ... | 著者 | Ansari, A, Tan, B, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-02 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UVM
| SARS-CoV-2 papain-like protease (PLpro) complex with covalent inhibitor Jun11313 | 分子名称: | CHLORIDE ION, Papain-like protease nsp3, SULFATE ION, ... | 著者 | Ansari, A, Tan, B, Chopra, A, Ruiz, F.X, Arnold, E, Wang, J. | 登録日 | 2023-11-03 | 公開日 | 2024-04-03 | 最終更新日 | 2024-10-23 | 実験手法 | X-RAY DIFFRACTION (2.85 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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8UUV
| SARS-CoV-2 papain-like protease (PLpro) with inhibitor Jun12197 | 分子名称: | CHLORIDE ION, N-{(1R)-1-[(3P,5P)-3-(1-cyclopropyl-1H-pyrazol-4-yl)-5-(1-methyl-1H-pyrazol-4-yl)phenyl]ethyl}-5-[2-(dimethylamino)ethoxy]-2-methylbenzamide, Papain-like protease nsp3, ... | 著者 | Ansari, A, Tan, B, Arnold, E, Ruiz, F.X, Wang, J. | 登録日 | 2023-11-02 | 公開日 | 2024-04-03 | 最終更新日 | 2024-05-01 | 実験手法 | X-RAY DIFFRACTION (3.01 Å) | 主引用文献 | Design of a SARS-CoV-2 papain-like protease inhibitor with antiviral efficacy in a mouse model. Science, 383, 2024
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7SJX
| Cryo-EM Structure of the PR-RT components of the HIV-1 Pol Polyprotein | 分子名称: | Gag-Pol polyprotein | 著者 | Lyumkis, D, Passos, D, Arnold, E, Harrison, J.J.E.K, Ruiz, F.X. | 登録日 | 2021-10-19 | 公開日 | 2022-07-27 | 最終更新日 | 2023-08-16 | 実験手法 | ELECTRON MICROSCOPY (8.2 Å) | 主引用文献 | Cryo-EM structure of the HIV-1 Pol polyprotein provides insights into virion maturation. Sci Adv, 8, 2022
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